WorldWideScience

Sample records for surfaces geochemical complexities

  1. Complexation of carboxylate on smectite surfaces.

    Science.gov (United States)

    Liu, Xiandong; Lu, Xiancai; Zhang, Yingchun; Zhang, Chi; Wang, Rucheng

    2017-07-19

    We report a first principles molecular dynamics (FPMD) study of carboxylate complexation on clay surfaces. By taking acetate as a model carboxylate, we investigate its inner-sphere complexes adsorbed on clay edges (including (010) and (110) surfaces) and in interlayer space. Simulations show that acetate forms stable monodentate complexes on edge surfaces and a bidentate complex with Ca 2+ in the interlayer region. The free energy calculations indicate that the complexation on edge surfaces is slightly more stable than in interlayer space. By integrating pK a s and desorption free energies of Al coordinated water calculated previously (X. Liu, X. Lu, E. J. Meijer, R. Wang and H. Zhou, Geochim. Cosmochim. Acta, 2012, 81, 56-68; X. Liu, J. Cheng, M. Sprik, X. Lu and R. Wang, Geochim. Cosmochim. Acta, 2014, 140, 410-417), the pH dependence of acetate complexation has been revealed. It shows that acetate forms inner-sphere complexes on (110) in a very limited mildly acidic pH range while it can complex on (010) in the whole common pH range. The results presented in this study form a physical basis for understanding the geochemical processes involving clay-organics interactions.

  2. Environmental and geochemical assessment of surface sediments on irshansk ilmenite deposit area

    Directory of Open Access Journals (Sweden)

    Наталия Олеговна Крюченко

    2015-03-01

    Full Text Available It is revealed the problem of pollution of surface sediments of Irshansk ilmenite deposit area of various chemical elements hazard class (Mn, V, Ba, Ni, Co, Cr, Mo, Cu, Pb, Zn. It is determined its average content in surface sediments of various functional areas (forest and agricultural land, flood deposits, reclaimed land, calculated geochemical criteria, so given ecological and geochemical assessment of area

  3. Geochemical surface exploration between Bueckeberge Hills and Rehburg Anticline (Lower Saxony Basin, Germany)

    Energy Technology Data Exchange (ETDEWEB)

    Berner, U. [Bundesanstalt fuer Geowissenschaften und Rohstoffe, Hannover (Germany); Marquardt, D. [Rijksuniversiteit Utrecht (Netherlands)

    2013-01-15

    The Lower Saxony Basin (LSB) of northwestern Germany is since long a target in hydrocarbon-related research in which the organic-rich Wealden sediments, known to contain good to excellent source rocks, play an important role. We demonstrate that cost effective surface exploration and geochemical research provide significant insight into the petroleum geology of an area of interest. Our research concentrates on a sub-basin in the eastern part of the LSB and aims at assessing the petroleum geology, hydrocarbon potential, depositional environment and tectonics of the Stadthagen syncline using surface samples of Wealden outcrops and evaluating these subsequently with geochemical methods (XRF, total sulfur, total organic carbon, Rock-Eval pyrolysis) and physical property data. The depositional environment in the research area varied significantly throughout the Lower Cretaceous (oxic to anoxic) due to paleoclimate changes and tectonically induced marine ingressions. Microbial sulfate reduction related to the marine ingressions reduced organic matter quality in the basin significantly, supporting the strong vertical variability in hydrocarbon potential of the sediments. Thermal maturity data suggests a complex tectonic history for the Stadthagen syncline. Thermal maturities (oil to wet gas window) combined with a multi-heat flow scenario result in estimated burial and subsequent uplift in the region of more than 2500 m. (orig.)

  4. On the bioavailability of trace metals in surface sediments: a combined geochemical and biological approach.

    Science.gov (United States)

    Roosa, Stéphanie; Prygiel, Emilie; Lesven, Ludovic; Wattiez, Ruddy; Gillan, David; Ferrari, Benoît J D; Criquet, Justine; Billon, Gabriel

    2016-06-01

    The bioavailability of metals was estimated in three river sediments (Sensée, Scarpe, and Deûle Rivers) impacted by different levels of Cu, Cd, Pb, and Zn (Northern France). For that, a combination of geochemistry and biological responses (bacteria and chironomids) was used. The results obtained illustrate the complexity of the notion of "bioavailability." Indeed, geochemical indexes suggested a low toxicity, even in surface sediments with high concentrations of total metals and a predicted severe effect levels for the organisms. This was also suggested by the abundance of total bacteria as determined by DAPI counts, with high bacterial cell numbers even in contaminated areas. However, a fraction of metals may be bioavailable as it was shown for chironomid larvae which were able to accumulate an important quantity of metals in surface sediments within just a few days.We concluded that (1) the best approach to estimate bioavailability in the selected sediments is a combination of geochemical and biological approaches and that (2) the sediments in the Deûle and Scarpe Rivers are highly contaminated and may impact bacterial populations but also benthic invertebrates.

  5. GEOQUIMICO : an interactive tool for comparing sorption conceptual models (surface complexation modeling versus K[D])

    International Nuclear Information System (INIS)

    Hammond, Glenn E.; Cygan, Randall Timothy

    2007-01-01

    Within reactive geochemical transport, several conceptual models exist for simulating sorption processes in the subsurface. Historically, the K D approach has been the method of choice due to ease of implementation within a reactive transport model and straightforward comparison with experimental data. However, for modeling complex sorption phenomenon (e.g. sorption of radionuclides onto mineral surfaces), this approach does not systematically account for variations in location, time, or chemical conditions, and more sophisticated methods such as a surface complexation model (SCM) must be utilized. It is critical to determine which conceptual model to use; that is, when the material variation becomes important to regulatory decisions. The geochemical transport tool GEOQUIMICO has been developed to assist in this decision-making process. GEOQUIMICO provides a user-friendly framework for comparing the accuracy and performance of sorption conceptual models. The model currently supports the K D and SCM conceptual models. The code is written in the object-oriented Java programming language to facilitate model development and improve code portability. The basic theory underlying geochemical transport and the sorption conceptual models noted above is presented in this report. Explanations are provided of how these physicochemical processes are instrumented in GEOQUIMICO and a brief verification study comparing GEOQUIMICO results to data found in the literature is given

  6. Retention/sorption and geochemical modelling

    Energy Technology Data Exchange (ETDEWEB)

    Arcos, D.; Grandia, F.; Domenech, C. [Enviros Spain, S.L., Barcelona (Spain); SCK-CEN, Mol (Belgium); Sellin, P. [SKB - Swedish Nuclear Fuel and Waste Management, SE, Stockholm (Sweden); Hunter, F.M.I.; Bate, F.; Heath, T.G.; Hoch, A. [Serco Assurance, Oxfordshire (United Kingdom); Werme, L.O. [SKB - Svensk Karnbranslehantering AB, Stockholm (Sweden); Bruggeman, C.; Maes, I.A.; Breynaert, E.; Vancluysen, J. [Leuven Katholieke Univ., Lab. for Colloid Chemistry (Belgium); Montavon, G.; Guo, Z. [Ecole des Mines, 44 - Nantes (France); Riebe, B.; Bunnenberg, C.; Meleshyn, A. [Leibniz Univ. Hannover, Zentrum fur Strahlenschutz und Radiookologie, Hannover (Germany); Dultz, S. [Leibniz Univ. Hannover, Institut fur Bodenkunde, Hannover (Germany)

    2007-07-01

    This session gathers 4 articles dealing with: the long-term geochemical evolution of the near field of a KBS-3 HLNW repository: insights from reactive transport modelling (D. Arcos, F. Grandia, C. Domenech, P. Sellin); the investigation of iron transport into bentonite from anaerobically corroding steel: a geochemical modelling study (F.M.I. Hunter, F. Bate, T.G. Heath, A. Hoch, L.O. Werme); SeO{sub 3}{sup 2-} adsorption on conditioned Na-illite: XAS spectroscopy, kinetics, surface complexation model and influence of compaction (C. Bruggeman, A. Maes, G. Montavon, E. Breynaert, Z. Guo, J. Vancluysen); the influence of temperature and gamma-irradiation on the anion sorption capacity of modified bentonites (B. Riebe, C. Bunnenberg, A. Meleshyn, S. Dultz)

  7. Soil Iodine Determination in Deccan Syneclise, India: Implications for Near Surface Geochemical Hydrocarbon Prospecting

    International Nuclear Information System (INIS)

    Mani, Devleena; Kumar, T. Satish; Rasheed, M. A.; Patil, D. J.; Dayal, A. M.; Rao, T. Gnaneshwar; Balaram, V.

    2011-01-01

    The association of iodine with organic matter in sedimentary basins is well documented. High iodine concentration in soils overlying oil and gas fields and areas with hydrocarbon microseepage has been observed and used as a geochemical exploratory tool for hydrocarbons in a few studies. In this study, we measure iodine concentration in soil samples collected from parts of Deccan Syneclise in the west central India to investigate its potential application as a geochemical indicator for hydrocarbons. The Deccan Syneclise consists of rifted depositional sites with Gondwana–Mesozoic sediments up to 3.5 km concealed under the Deccan Traps and is considered prospective for hydrocarbons. The concentration of iodine in soil samples is determined using ICP-MS and the values range between 1.1 and 19.3 ppm. High iodine values are characteristic of the northern part of the sampled region. The total organic carbon (TOC) content of the soil samples range between 0.1 and 1.3%. The TOC correlates poorly with the soil iodine (r 2 < 1), indicating a lack of association of iodine with the surficial organic matter and the possibility of interaction between the seeping hydrocarbons and soil iodine. Further, the distribution pattern of iodine compares well with two surface geochemical indicators: the adsorbed light gaseous hydrocarbons (methane through butane) and the propane-oxidizing bacterial populations in the soil. The integration of geochemical observations show the occurrence of elevated values in the northern part of the study area, which is also coincident with the presence of exposed dyke swarms that probably serve as conduits for hydrocarbon microseepage. The corroboration of iodine with existing geological, geophysical, and geochemical data suggests its efficacy as one of the potential tool in surface geochemical exploration of hydrocarbons. Our study supports Deccan Syneclise to be promising in terms of its hydrocarbon prospects.

  8. The effects of sorting by aeolian processes on the geochemical characteristics of surface materials: a wind tunnel experiment

    Science.gov (United States)

    Wang, Xunming; Lang, Lili; Hua, Ting; Zhang, Caixia; Li, Hui

    2018-03-01

    The geochemical characteristics of aeolian and surface materials in potential source areas of dust are frequently employed in environmental reconstructions as proxies of past climate and as source tracers of aeolian sediments deposited in downwind areas. However, variations in the geochemical characteristics of these aeolian deposits that result from near-surface winds are currently poorly understood. In this study, we collected surface samples from the Ala Shan Plateau (a major potential dust source area in Central Asia) to determine the influence of aeolian processes on the geochemical characteristics of aeolian transported materials. Correlation analyses show that compared with surface materials, the elements in transported materials (e.g., Cu, As, Pb, Mn, Zn, Al, Ca, Fe, Ga, K, Mg, P, Rb, Co, Cr, Na, Nb, Si, and Zr) were subjected to significant sorting by aeolian processes, and the sorting also varied among different particle size fractions and elements. Variations in wind velocity were significantly correlated with the contents of Cr, Ga, Sr, Ca, Y, Nd, Zr, Nb, Ba, and Al, and with the Zr/Al, Zr/Rb, K/Ca, Sr/Ca, Rb/Sr, and Ca/Al ratios. Given the great variation in the geochemical characteristics of materials transported under different aeolian processes relative to those of the source materials, these results indicate that considerable uncertainty may be introduced to analyses by using surface materials to trace the potential source areas of aeolian deposits that accumulate in downwind areas.

  9. Coupled geochemical and solute transport code development

    International Nuclear Information System (INIS)

    Morrey, J.R.; Hostetler, C.J.

    1985-01-01

    A number of coupled geochemical hydrologic codes have been reported in the literature. Some of these codes have directly coupled the source-sink term to the solute transport equation. The current consensus seems to be that directly coupling hydrologic transport and chemical models through a series of interdependent differential equations is not feasible for multicomponent problems with complex geochemical processes (e.g., precipitation/dissolution reactions). A two-step process appears to be the required method of coupling codes for problems where a large suite of chemical reactions must be monitored. Two-step structure requires that the source-sink term in the transport equation is supplied by a geochemical code rather than by an analytical expression. We have developed a one-dimensional two-step coupled model designed to calculate relatively complex geochemical equilibria (CTM1D). Our geochemical module implements a Newton-Raphson algorithm to solve heterogeneous geochemical equilibria, involving up to 40 chemical components and 400 aqueous species. The geochemical module was designed to be efficient and compact. A revised version of the MINTEQ Code is used as a parent geochemical code

  10. Analysis of the geochemical gradient created by surface-groundwater interactions within riverbanks of the East River in Crested Butte, Colorado

    Science.gov (United States)

    Lunzer, J.; Williams, K. H.; Malenda, H. F.; Nararne-Sitchler, A.

    2016-12-01

    An improved understanding of the geochemical gradient created by the mixing of surface and groundwater of a river system will have considerable impact on our understanding of microorganisms, organic cycling and biogeochemical processes within these zones. In this study, the geochemical gradient in the hyporheic zone is described using a variety of geochemical properties. A system of shallow groundwater wells were installed in a series of transects along a stream bank. Each transect consists of several wells that progress away from the river bank in a perpendicular fashion. From these wells, temperature, conductivity and pH of water samples were obtained via hand pumping or bailing. These data show a clear geochemical gradient that displays a distinct zone in the subsurface where the geochemical conditions change from surface water dominated to groundwater dominated. For this study, the East River near Crested Butte, Colorado has been selected as the river of interest due the river being a relatively undisturbed floodplain. Additionally, the specific section chosen on the East River displays relatively high sinuosity meaning that these meandering sections will produce hyporheic zones that are more laterally expansive than what would be expected on a river of lower sinuosity. This increase in lateral extension of the hyporheic zone will make depicting the subtle changes in the geochemical gradient much easier than that of a river system in which the hyporheic zone is not as laterally extensive. Data has been and will be continued to be collected at different river discharges to evaluate the geochemical gradient at differing rates. Overall, this characterization of the geochemical gradient along stream banks will produce results that will aid in the further use of geochemical methods to classify and understand hyporheic exchange zones and the potential expansion of these techniques to river systems of differing geologic and geographic conditions.

  11. The Marbat metamorphic core-complex (Southern Arabian Peninsula) : reassessment of the evolution of a Neoproterozoic island-arc from petrological, geochemical and U-Pb zircon data

    OpenAIRE

    Barbey, P.; Denele, Y.; Paquette, J. L.; Berger, J.; Ganne, Jérôme; Roques, D.

    2018-01-01

    The Marbat basement (Sultanate of Oman) belongs to the Neoproterozoic accretion domain of the Arabian-Nubian shield. We present new geochronological, petrological and geochemical data as an extension of our previous study (Denele et al., 2017) re-interpreting this basement as a metamorphic core complex (MCC). We showed that this MCC consists of a metamorphic unit (Juffa complex) separated by an extensional detachment from a plutonic unit (Sadh complex and Tonalite plutons). Geochemical data s...

  12. Toward a better understanding of the complex geochemical processes governing subsurface contaminant transport

    International Nuclear Information System (INIS)

    Puls, R.W.

    1990-01-01

    Identification and understanding of the geochemical processes, including ion exchange, precipitation, organic partitioning, chemisorption, aqueous complexation, and colloidal stability and transport, controlling subsurface contamination is essential for making accurate predictions of the fate and transport of these constituents. Current approaches to quantify the effect of these processes primarily involve laboratory techniques, including the use of closed static systems (batch experiments) where small amounts of aquifer solids or minerals are contacted with an aqueous phase containing the components of interest for relatively short durations; and dynamic systems (column experiments) where a larger segment of the aquifer is investigated by analyzing the breakthrough profiles of reactive and non-reactive species. Both approaches are constrained by differences in scale, alteration of media during sample collection and use, and spatial variability. More field reactivity studies are needed to complement established laboratory approaches for the determination of retardation factors and scaling factors, corroboration of batch and column results, and validation of sampling techniques. These studies also serve to accentuate areas of geochemical process research where data deficiencies exist, such as the kinetics of adsorption-desorption, metal-organic-mineral interactions, and colloidal mobility. The advantages and disadvantages of the above approaches are discussed in the context of achieving a more completely integrated approach to geochemical transport experiments, with supportive data presented from selected studies. (Author) (16 refs., 4 figs., 2 tabs.)

  13. Computational Redox Potential Predictions: Applications to Inorganic and Organic Aqueous Complexes, and Complexes Adsorbed to Mineral Surfaces

    Directory of Open Access Journals (Sweden)

    Krishnamoorthy Arumugam

    2014-04-01

    Full Text Available Applications of redox processes range over a number of scientific fields. This review article summarizes the theory behind the calculation of redox potentials in solution for species such as organic compounds, inorganic complexes, actinides, battery materials, and mineral surface-bound-species. Different computational approaches to predict and determine redox potentials of electron transitions are discussed along with their respective pros and cons for the prediction of redox potentials. Subsequently, recommendations are made for certain necessary computational settings required for accurate calculation of redox potentials. This article reviews the importance of computational parameters, such as basis sets, density functional theory (DFT functionals, and relativistic approaches and the role that physicochemical processes play on the shift of redox potentials, such as hydration or spin orbit coupling, and will aid in finding suitable combinations of approaches for different chemical and geochemical applications. Identifying cost-effective and credible computational approaches is essential to benchmark redox potential calculations against experiments. Once a good theoretical approach is found to model the chemistry and thermodynamics of the redox and electron transfer process, this knowledge can be incorporated into models of more complex reaction mechanisms that include diffusion in the solute, surface diffusion, and dehydration, to name a few. This knowledge is important to fully understand the nature of redox processes be it a geochemical process that dictates natural redox reactions or one that is being used for the optimization of a chemical process in industry. In addition, it will help identify materials that will be useful to design catalytic redox agents, to come up with materials to be used for batteries and photovoltaic processes, and to identify new and improved remediation strategies in environmental engineering, for example the

  14. Predictive geochemical mapping using environmental correlation

    International Nuclear Information System (INIS)

    Wilford, John; Caritat, Patrice de; Bui, Elisabeth

    2016-01-01

    The distribution of chemical elements at and near the Earth's surface, the so-called critical zone, is complex and reflects the geochemistry and mineralogy of the original substrate modified by environmental factors that include physical, chemical and biological processes over time. Geochemical data typically is illustrated in the form of plan view maps or vertical cross-sections, where the composition of regolith, soil, bedrock or any other material is represented. These are primarily point observations that frequently are interpolated to produce rasters of element distributions. Here we propose the application of environmental or covariate regression modelling to predict and better understand the controls on major and trace element geochemistry within the regolith. Available environmental covariate datasets (raster or vector) representing factors influencing regolith or soil composition are intersected with the geochemical point data in a spatial statistical correlation model to develop a system of multiple linear correlations. The spatial resolution of the environmental covariates, which typically is much finer (e.g. ∼90 m pixel) than that of geochemical surveys (e.g. 1 sample per 10-10,000 km 2 ), carries over to the predictions. Therefore the derived predictive models of element concentrations take the form of continuous geochemical landscape representations that are potentially much more informative than geostatistical interpolations. Environmental correlation is applied to the Sir Samuel 1:250,000 scale map sheet in Western Australia to produce distribution models of individual elements describing the geochemical composition of the regolith and exposed bedrock. As an example we model the distribution of two elements – chromium and sodium. We show that the environmental correlation approach generates high resolution predictive maps that are statistically more accurate and effective than ordinary kriging and inverse distance weighting interpolation

  15. Geochemical and Geophysical Characteristics of the Balud Ophiolitic Complex (BOC, Masbate Island, Philippines: Implications for its Generation, Evolution and Emplacement

    Directory of Open Access Journals (Sweden)

    Pearlyn C. Manalo

    2015-01-01

    Full Text Available This paper presents the first field, geochemical and geophysical information on the recently recognized Early Cretaceous Balud Ophiolitic Complex (BOC in the island of Masbate in the Central Philippines. Mapping of the western limb of the island revealed that only the upper crustal section of the BOC is exposed in this area. Geochemically, the pillow basalts are characterized by transitional mid-oceanic ridge basalt-island arc tholeiitic compositions. Gravity surveys yielded low Bouguer anomaly values that are consistent with the highly dismembered nature of the BOC. Short wavelength, high amplitude magnetic anomalies registered across the study area are attributed to shallow magnetic sources. This is taken to support the model that the ophiolitic complex occurs as thin crustal slivers that are not deeply-rooted in the mantle. Comparing BOC with other ophiolites in the Central Philippines, such as those in the islands of Sibuyan, Leyte and Bohol, suggests the possibility of a common or contiguous source for similarly-aged and geochemically composed crust-mantle sequences in the region.

  16. The IUGS/IAGC Task Group on Global Geochemical Baselines

    Science.gov (United States)

    Smith, David B.; Wang, Xueqiu; Reeder, Shaun; Demetriades, Alecos

    2012-01-01

    The Task Group on Global Geochemical Baselines, operating under the auspices of both the International Union of Geological Sciences (IUGS) and the International Association of Geochemistry (IAGC), has the long-term goal of establishing a global geochemical database to document the concentration and distribution of chemical elements in the Earth’s surface or near-surface environment. The database and accompanying element distribution maps represent a geochemical baseline against which future human-induced or natural changes to the chemistry of the land surface may be recognized and quantified. In order to accomplish this long-term goal, the activities of the Task Group include: (1) developing partnerships with countries conducting broad-scale geochemical mapping studies; (2) providing consultation and training in the form of workshops and short courses; (3) organizing periodic international symposia to foster communication among the geochemical mapping community; (4) developing criteria for certifying those projects whose data are acceptable in a global geochemical database; (5) acting as a repository for data collected by those projects meeting the criteria for standardization; (6) preparing complete metadata for the certified projects; and (7) preparing, ultimately, a global geochemical database. This paper summarizes the history and accomplishments of the Task Group since its first predecessor project was established in 1988.

  17. Geochemical behaviour of rare earths in Vitis vinifera grafted onto different rootstocks and growing on several soils

    International Nuclear Information System (INIS)

    Censi, P.; Saiano, F.; Pisciotta, A.; Tuzzolino, N.

    2014-01-01

    The geochemical behaviour of lanthanides and yttrium (Rare Earth Elements, REEs) has been investigated mainly in geological systems where these elements represent the best proxies of processes involving the occurrence of an interface between different media. This behaviour is assessed according to features recorded in sequences of REE concentrations along the REE series normalised with respect to a reference material. In this study, the geochemical behaviour of REE was investigated in different parts of Vitis vinifera specimens grown off-soil, on soils of different nature and grafted onto several rootstocks in order to evaluate effects induced by these changes. The results indicated that roots are the plant organs where REEs are preferentially concentrated, in particular elements from Sm to Ho (middle REE, MREE) whereas Eu enrichments occur in aerial parts. The geochemical behaviour of REE suggests that MREE enrichments in roots are due to preferential MREE interactions with biological membranes or to surface complexation with newly formed phosphates. Eu-positive anomalies suggest that Eu 3+ can form stable organic complexes in place of Ca 2+ in several biological processes in xylem fluids. The possibility that Eu mobility in these fluids can be enhanced by its reductive speciation as Eu 2+ cannot be ruled out. The assessment of the geochemical behaviour of REE according to the theory of the Tetrad Effect carried out confirms that REEs coming from soil are scavenged onto root tissues or mineral surfaces whereas their behaviour in aerial parts of V. vinifera is driven by dissolved complexation. - Highlights: • REE behaviour is driven by scavenging onto authigenic solids or membranes in roots. • REE behaviour is driven by dissolved complexation in aerial plant parts. • Positive Eu anomalies are a consequence of the REE translocation by xylem fluids. • Significant REE tetrad effects are observed in Vitis vinifera plants

  18. Adjustment of geochemical background by robust multivariate statistics

    Science.gov (United States)

    Zhou, D.

    1985-01-01

    Conventional analyses of exploration geochemical data assume that the background is a constant or slowly changing value, equivalent to a plane or a smoothly curved surface. However, it is better to regard the geochemical background as a rugged surface, varying with changes in geology and environment. This rugged surface can be estimated from observed geological, geochemical and environmental properties by using multivariate statistics. A method of background adjustment was developed and applied to groundwater and stream sediment reconnaissance data collected from the Hot Springs Quadrangle, South Dakota, as part of the National Uranium Resource Evaluation (NURE) program. Source-rock lithology appears to be a dominant factor controlling the chemical composition of groundwater or stream sediments. The most efficacious adjustment procedure is to regress uranium concentration on selected geochemical and environmental variables for each lithologic unit, and then to delineate anomalies by a common threshold set as a multiple of the standard deviation of the combined residuals. Robust versions of regression and RQ-mode principal components analysis techniques were used rather than ordinary techniques to guard against distortion caused by outliers Anomalies delineated by this background adjustment procedure correspond with uranium prospects much better than do anomalies delineated by conventional procedures. The procedure should be applicable to geochemical exploration at different scales for other metals. ?? 1985.

  19. Analysis of gold(I/III)-complexes by HPLC-ICP-MS demonstrates gold(III) stability in surface waters.

    Science.gov (United States)

    Ta, Christine; Reith, Frank; Brugger, Joël; Pring, Allan; Lenehan, Claire E

    2014-05-20

    Understanding the form in which gold is transported in surface- and groundwaters underpins our understanding of gold dispersion and (bio)geochemical cycling. Yet, to date, there are no direct techniques capable of identifying the oxidation state and complexation of gold in natural waters. We present a reversed phase ion-pairing HPLC-ICP-MS method for the separation and determination of aqueous gold(III)-chloro-hydroxyl, gold(III)-bromo-hydroxyl, gold(I)-thiosulfate, and gold(I)-cyanide complexes. Detection limits for the gold species range from 0.05 to 0.30 μg L(-1). The [Au(CN)2](-) gold cyanide complex was detected in five of six waters from tailings and adjacent monitoring bores of working gold mines. Contrary to thermodynamic predictions, evidence was obtained for the existence of Au(III)-complexes in circumneutral, hypersaline waters of a natural lake overlying a gold deposit in Western Australia. This first direct evidence for the existence and stability of Au(III)-complexes in natural surface waters suggests that Au(III)-complexes may be important for the transport and biogeochemical cycling of gold in surface environments. Overall, these results show that near-μg L(-1) enrichments of Au in environmental waters result from metastable ligands (e.g., CN(-)) as well as kinetically controlled redox processes leading to the stability of highly soluble Au(III)-complexes.

  20. Geochemical modelling of bentonite porewater in high-level waste repositories

    Science.gov (United States)

    Wersin, Paul

    2003-03-01

    The description of the geochemical properties of the bentonite backfill that serves as engineered barrier for nuclear repositories is a central issue for perfomance assessment since these play a large role in determining the fate of contaminants released from the waste. In this study the porewater chemistry of bentonite was assessed with a thermodynamic modelling approach that includes ion exchange, surface complexation and mineral equilibrium reactions. The focus was to identify the geochemical reactions controlling the major ion chemistry and acid-base properties and to explore parameter uncertainties specifically at high compaction degrees. First, the adequacy of the approach was tested with two distinct surface complexation models by describing recent experimental data performed at highly varying solid/liquid ratios and ionic strengths. The results indicate adequate prediction of the entire experimental data set. Second, the modelling was extended to repository conditions, taking as an example the current Swiss concept for high-level waste where the compacted bentonite backfill is surrounded by argillaceous rock. The main reactions controlling major ion chemistry were found to be calcite equilibrium and concurrent Na-Ca exchange reactions and de-protonation of functional surface groups. Third, a sensitivity analysis of the main model parameters was performed. The results thereof indicate a remarkable robustness of the model with regard to parameter uncertainties. The bentonite system is characterised by a large acid-base buffering capacity which leads to stable pH-conditions. The uncertainty in pH was found to be mainly induced by the pCO 2 of the surrounding host rock. The results of a simple diffusion-reaction model indicate only minor changes of porewater composition with time, which is primarily due to the geochemical similarities of the bentonite and the argillaceous host rock. Overall, the results show the usefulness of simple thermodynamic models to

  1. MINTEQ, Geochemical Equilibria in Ground Water

    International Nuclear Information System (INIS)

    Krupka, K.M.

    1990-01-01

    mass action constraints are nonlinear in the components, the problem reduces to the solution of a system of nonlinear equations. In MINTEQ when a solid enters the equilibrium assemblage, the system of mass balance equations is modified to incorporate the additional solubility constraint. The system is then solved directly using the Newton-Raphson technique. MINTEQ is composed of four submodels. The speciation sub-model computes the activities of complexed and un-complexed cationic and anionic species, neutral ion pairs, and the activities of cationic and anionic redox species. These activities are then fed to the solubility sub-model, which calculates ion activity products for solids and minerals. The results from these calculations are used by the mass transfer sub-model to calculate the mass of solid that precipitates or dissolves. In the fourth or adsorption sub-model MINTEQ models adsorption onto solid surfaces via several mechanisms: an activity Langmuir isotherm, an activity Freundlich isotherm, an ion exchange model, a constant capacitance surface complexation model, and a triple-layer surface complexation model. The calculations completed by each sub-model are dependent on the thermodynamic data stored in the MINTEQ database. 3 - Restrictions on the complexity of the problem: MINTEQ assumes that the system is at equilibrium and will not explicitly consider kinetics. The equilibrium constants in the MINTEQ data base are given for 25 degrees C. MINTEQ should not be used to model solutions at temperatures greater than 100 degrees C. In addition, no capability exists to consider solid solutions or to model high ionic strength brine solutions. It is impossible to automatically vary the composition of a precipitating solid as the solution composition changes. MINTEQ computes the final equilibrium of a given system in a 'single-step' neglecting reaction path calculations

  2. Uranyl adsorption and surface speciation at the imogolite-water interface: Self-consistent spectroscopic and surface complexation models

    Science.gov (United States)

    Arai, Y.; McBeath, M.; Bargar, J.R.; Joye, J.; Davis, J.A.

    2006-01-01

    Macro- and molecular-scale knowledge of uranyl (U(VI)) partitioning reactions with soil/sediment mineral components is important in predicting U(VI) transport processes in the vadose zone and aquifers. In this study, U(VI) reactivity and surface speciation on a poorly crystalline aluminosilicate mineral, synthetic imogolite, were investigated using batch adsorption experiments, X-ray absorption spectroscopy (XAS), and surface complexation modeling. U(VI) uptake on imogolite surfaces was greatest at pH ???7-8 (I = 0.1 M NaNO3 solution, suspension density = 0.4 g/L [U(VI)]i = 0.01-30 ??M, equilibration with air). Uranyl uptake decreased with increasing sodium nitrate concentration in the range from 0.02 to 0.5 M. XAS analyses show that two U(VI) inner-sphere (bidentate mononuclear coordination on outer-wall aluminol groups) and one outer-sphere surface species are present on the imogolite surface, and the distribution of the surface species is pH dependent. At pH 8.8, bis-carbonato inner-sphere and tris-carbonato outer-sphere surface species are present. At pH 7, bis- and non-carbonato inner-sphere surface species co-exist, and the fraction of bis-carbonato species increases slightly with increasing I (0.1-0.5 M). At pH 5.3, U(VI) non-carbonato bidentate mononuclear surface species predominate (69%). A triple layer surface complexation model was developed with surface species that are consistent with the XAS analyses and macroscopic adsorption data. The proton stoichiometry of surface reactions was determined from both the pH dependence of U(VI) adsorption data in pH regions of surface species predominance and from bond-valence calculations. The bis-carbonato species required a distribution of surface charge between the surface and ?? charge planes in order to be consistent with both the spectroscopic and macroscopic adsorption data. This research indicates that U(VI)-carbonato ternary species on poorly crystalline aluminosilicate mineral surfaces may be important in

  3. Kinetics of Uranium(VI) Desorption from Contaminated Sediments: Effect of Geochemical Conditions and Model Evaluation

    International Nuclear Information System (INIS)

    Liu, Chongxuan; Shi, Zhenqing; Zachara, John M.

    2009-01-01

    Stirred-flow cell experiments were performed to investigate the kinetics of uranyl (U(VI)) desorption from a contaminated sediment collected from the Hanford 300 Area at the US Department of Energy (DOE) Hanford Site, Washington. Three influent solutions of variable pH, Ca and carbonate concentrations that affected U(VI) aqueous and surface speciation were used under dynamic flow conditions to evaluate the effect of geochemical conditions on the rate of U(VI) desorption. The measured rate of U(VI) desorption varied with solution chemical composition that evolved as a result of thermodynamic and kinetic interactions between the influent solutions and sediment. The solution chemical composition that led to a lower equilibrium U(VI) sorption to the solid phase yielded a faster desorption rate. The experimental results were used to evaluate a multi-rate, surface complexation model (SCM) that has been proposed to describe U(VI) desorption kinetics in the Hanford sediment that contained complex sorbed U(VI) species in mass transfer limited domains. The model was modified and supplemented by including multi-rate, ion exchange reactions to describe the geochemical interactions between the solutions and sediment. With the same set of model parameters, the modified model reasonably well described the evolution of major ions and the rates of U(VI) desorption under variable geochemical and flow conditions, implying that the multi-rate SCM is an effective way to describe U(VI) desorption kinetics in subsurface sediments

  4. Surface complexation modeling of Cd(II) sorption to montmorillonite, bacteria, and their composite

    Science.gov (United States)

    Wang, Ning; Du, Huihui; Huang, Qiaoyun; Cai, Peng; Rong, Xingmin; Feng, Xionghan; Chen, Wenli

    2016-10-01

    Surface complexation modeling (SCM) has emerged as a powerful tool for simulating heavy metal adsorption processes on the surface of soil solid components under different geochemical conditions. The component additivity (CA) approach is one of the strategies that have been widely used in multicomponent systems. In this study, potentiometric titration, isothermal adsorption, zeta potential measurement, and extended X-ray absorption fine-structure (EXAFS) spectra analysis were conducted to investigate Cd adsorption on 2 : 1 clay mineral montmorillonite, on Gram-positive bacteria Bacillus subtilis, and their mineral-organic composite. We developed constant capacitance models of Cd adsorption on montmorillonite, bacterial cells, and mineral-organic composite. The adsorption behavior of Cd on the surface of the composite was well explained by CA-SCM. Some deviations were observed from the model simulations at pH SCM closely coincided with the estimated value of EXAFS at pH 6. The model could be useful for the prediction of heavy metal distribution at the interface of multicomponents and their risk evaluation in soils and associated environments.

  5. Archean crust-mantle geochemical differentiation

    Science.gov (United States)

    Tilton, G. R.

    Isotope measurements on carbonatite complexes and komatiites can provide information on the geochemical character and geochemical evolution of the mantle, including the sub-continental mantle. Measurements on young samples establish the validity of the method. These are based on Sr, Nd and Pb data from the Tertiary-Mesozoic Gorgona komatiite and Sr and Pb data from the Cretaceous Oka carbonatite complex. In both cases the data describe a LIL element-depleted source similar to that observed presently in MORB. Carbonatite data have been used to study the mantle beneath the Superior Province of the Canadian Shield one billion years (1 AE) ago. The framework for this investigation was established by Bell et al., who showed that large areas of the province appear to be underlain by LIL element-depleted mantle (Sr-85/Sr-86=0.7028) at 1 AE ago. Additionally Bell et al. found four complexes to have higher initial Sr ratios (Sr-87/Sr-86=0.7038), which they correlated with less depleted (bulk earth?) mantle sources, or possibly crustal contamination. Pb isotope relationships in four of the complexes have been studied by Bell et al.

  6. Archean crust-mantle geochemical differentiation

    Science.gov (United States)

    Tilton, G. R.

    1983-01-01

    Isotope measurements on carbonatite complexes and komatiites can provide information on the geochemical character and geochemical evolution of the mantle, including the sub-continental mantle. Measurements on young samples establish the validity of the method. These are based on Sr, Nd and Pb data from the Tertiary-Mesozoic Gorgona komatiite and Sr and Pb data from the Cretaceous Oka carbonatite complex. In both cases the data describe a LIL element-depleted source similar to that observed presently in MORB. Carbonatite data have been used to study the mantle beneath the Superior Province of the Canadian Shield one billion years (1 AE) ago. The framework for this investigation was established by Bell et al., who showed that large areas of the province appear to be underlain by LIL element-depleted mantle (Sr-85/Sr-86=0.7028) at 1 AE ago. Additionally Bell et al. found four complexes to have higher initial Sr ratios (Sr-87/Sr-86=0.7038), which they correlated with less depleted (bulk earth?) mantle sources, or possibly crustal contamination. Pb isotope relationships in four of the complexes have been studied by Bell et al.

  7. Geochemical Constraints for Mercury's PCA-Derived Geochemical Terranes

    Science.gov (United States)

    Stockstill-Cahill, K. R.; Peplowski, P. N.

    2018-05-01

    PCA-derived geochemical terranes provide a robust, analytical means of defining these terranes using strictly geochemical inputs. Using the end members derived in this way, we are able to assess the geochemical implications for Mercury.

  8. Calibration of a PHREEQC-based geochemical model to predict surface water discharge from an operating uranium mill in the Athabasca Basin

    International Nuclear Information System (INIS)

    Mahoney, J.; Ryan, F.

    2014-01-01

    A PHREEQC based geochemical model has been developed to predict impacts from the McClean Lake Mill discharges through three lakes in the Athabasca Basin, Saskatchewan, Canada. The model is primarily a mixing calculation that uses site specific water balances and water compositions from five sources: 1) two water treatment plants, 2) waters from pit dewatering wells, 3) run-off into the lakes from surface waters, 4) ambient lake compositions, and 5) precipitation (rain and snow) onto the pit lake surface. The model allows for the discharge of these waters into the first lake, which then flows into another nearby lake and finally into a third larger lake. Water losses through evaporation and the impact of subsequent evapoconcentration processes are included in the model. PHREEQC has numerous mass transfer options including mixing, user specified reactions, equilibration with gas and solid phases, and surface complexation. Thus this program is ideally suited to this application. Preparation of such a complicated model is facilitated by an EXCEL Spreadsheet, which converts the water balance into appropriately formatted mixing proportions and to prepare portions of the PHREEQC input file in a format directly useable by PHREEQC. This allows for a high level of flexibility, while reducing transcription errors. For each scenario, the model path involves mixing of the waters in the first lake, followed by evapoconcentration, equilibration of the resulting solution with gas phases, including carbon dioxide and oxygen and with minerals and surfaces. The resultant composition is mixed in the second lake with more surface water, lake water and precipitation, and then re-equilibrated. This water represents the flow into the final lake; further mixing/dilution is accommodated; chemical equilibration may also occur. Because of the numerous steps and processes that define the pathway, each annual step requires approximately 200 lines of input in PHREEQC. Models used in the initial

  9. An index of floodplain surface complexity

    Science.gov (United States)

    Scown, Murray W.; Thoms, Martin C.; DeJager, Nathan R.

    2016-01-01

    Floodplain surface topography is an important component of floodplain ecosystems. It is the primary physical template upon which ecosystem processes are acted out, and complexity in this template can contribute to the high biodiversity and productivity of floodplain ecosystems. There has been a limited appreciation of floodplain surface complexity because of the traditional focus on temporal variability in floodplains as well as limitations to quantifying spatial complexity. An index of floodplain surface complexity (FSC) is developed in this paper and applied to eight floodplains from different geographic settings. The index is based on two key indicators of complexity, variability in surface geometry (VSG) and the spatial organisation of surface conditions (SPO), and was determined at three sampling scales. FSC, VSG, and SPO varied between the eight floodplains and these differences depended upon sampling scale. Relationships between these measures of spatial complexity and seven geomorphological and hydrological drivers were investigated. There was a significant decline in all complexity measures with increasing floodplain width, which was explained by either a power, logarithmic, or exponential function. There was an initial rapid decline in surface complexity as floodplain width increased from 1.5 to 5 km, followed by little change in floodplains wider than 10 km. VSG also increased significantly with increasing sediment yield. No significant relationships were determined between any of the four hydrological variables and floodplain surface complexity.

  10. Integration of the metal ion charge neutralization model for humic acid complexation into the geochemical speciation code EQ3/6

    International Nuclear Information System (INIS)

    Brendler, V.

    2002-01-01

    Geochemical modeling often requires the consideration of humics as major complexing agent and colloid. The metal ion charge neutralization model can handle respective interactions and has therefore been integrated into the speciation software EQ3/6. An application showing the influence of the pH-dependence of the loading capacity on actinide speciation is given. (orig.)

  11. Geochemical modelling baseline compositions of groundwater

    DEFF Research Database (Denmark)

    Postma, Diederik Jan; Kjøller, Claus; Andersen, Martin Søgaard

    2008-01-01

    and variations in water chemistry that are caused by large scale geochemical processes taking place at the timescale of thousands of years. The most important geochemical processes are ion exchange (Valreas and Aveiro) where freshwater solutes are displacing marine ions from the sediment surface, and carbonate......Reactive transport models, were developed to explore the evolution in groundwater chemistry along the flow path in three aquifers; the Triassic East Midland aquifer (UK), the Miocene aquifer at Valreas (F) and the Cretaceous aquifer near Aveiro (P). All three aquifers contain very old groundwaters...... dissolution (East Midlands, Valreas and Aveiro). Reactive transport models, employing the code PHREEQC, which included these geochemical processes and one-dimensional solute transport were able to duplicate the observed patterns in water quality. These models may provide a quantitative understanding...

  12. The geochemical chararateristics of the marble deposits east of ...

    African Journals Online (AJOL)

    ), marbles were investigated with the view to establishing marble occurrences and their geochemical characteristics. Crystalline rocks of the Nigerian Basement Complex (migmatite – gneiss complex) underlie the area. Ten marble bodies were ...

  13. Geochemical behaviour of palladium in soils and Pd/PdO model substances in the presence of the organic complexing agents L-methionine and citric acid.

    Science.gov (United States)

    Zereini, Fathi; Wiseman, Clare L S; Vang, My; Albers, Peter; Schneider, Wolfgang; Schindl, Roland; Leopold, Kerstin

    2016-01-01

    Risk assessments of platinum group metal (PGE) emissions, notably those of platinum (Pt), palladium (Pd) and rhodium (Rh), have been mostly based on data regarding the metallic forms used in vehicular exhaust converters, known to be virtually biologically inert and immobile. To adequately assess the potential impacts of PGE, however, data on the chemical behaviour of these metals under ambient conditions post-emission is needed. Complexing agents with a high affinity for metals in the environment are hypothesized to contribute to an increased bioaccessibility of PGE. The purpose of this study is to examine the modulating effects of the organic complexing agents, L-methionine and citric acid, on the geochemical behavior of Pd in soils and model substances (Pd black and PdO). Batch experimental tests were conducted with soils and model substances to examine the impacts of the concentration of complexing agents, pH and length of extraction period on Pd solubility and its chemical transformation. Particle surface chemistry was examined using X-ray photoelectron spectroscopy (XPS) on samples treated with solutions under various conditions, including low and high O2 levels. Pd was observed to be more soluble in the presence of organic complexing agents, compared to Pt and Rh. Pd in soils was more readily solubilized with organic complexing agents compared to the model substances. After 7 days of extraction, L-methionine (0.1 M) treated soil and Pd black samples, for instance, had mean soluble Pd fractions of 12.4 ± 5.9% and 0.554 ± 0.024%, respectively. Surface chemistry analyses (XPS) confirmed the oxidation of metallic Pd surfaces when treated with organic complexing agents. The type of organic complexing agent used for experimental purposes was observed to be the most important factor influencing solubility, followed by solution pH and time of extraction. The results demonstrate that metallic Pd can be transformed into more bioaccessible species in the presence of

  14. Petrologic and geochemical characterization and mineralization of the metavolcanic rocks of the Heib Formation, Kid Metamorphic Complex, Sinai, Egypt

    Directory of Open Access Journals (Sweden)

    Ibrahim H. Khalifa

    2011-07-01

    Full Text Available Metavolcanic rocks hosting base metal sulphide mineralization, and belonging to the Kid Metamorphic Complex, are exposed in the Samra-Tarr area, Southern Sinai. The rocks consist of slightly metamorphosed varicolored porphyritic lavas of rhyolite-to-andesite composition, and their equivalent pyroclastics. Geochemically, these metavolcanics are classified as high-K calc-alkaline, metaluminous andesites, trachyandesites, dacites, and rhyolites. The geochemical characteristics of these metavolcanics strongly point to their derivation from continental crust in an active continental margin. The sulphide mineralization in these metavolcanics occurs in two major ore zones, and is represented by four distinct styles of mineralization. The mineralization occurs either as low-grade disseminations or as small massive pockets. The associated hydrothermal alterations include carbonatization, silicification, sericitization and argillic alterations. The base metal sulphide mineralization is epigenetic and was formed by hydrothermal solutions associated with subduction-related volcanic activity.

  15. Surface geochemical data evaluation and integration with geophysical observations for hydrocarbon prospecting, Tapti graben, Deccan Syneclise, India

    OpenAIRE

    Satish Kumar, T.; Dayal, A.M.; Sudarshan, V.

    2014-01-01

    The Deccan Syneclise is considered to have significant hydrocarbon potential. However, significant hydrocarbon discoveries, particularly for Mesozoic sequences, have not been established through conventional exploration due to the thick basalt cover over Mesozoic sedimentary rocks. In this study, near-surface geochemical data are used to understand the petroleum system and also investigate type of source for hydrocarbons generation of the study area. Soil samples were collected from favorable...

  16. Machining of Complex Sculptured Surfaces

    CERN Document Server

    2012-01-01

    The machining of complex sculptured surfaces is a global technological topic in modern manufacturing with relevance in both industrialized and emerging in countries particularly within the moulds and dies sector whose applications include highly technological industries such as the automotive and aircraft industry. Machining of Complex Sculptured Surfaces considers new approaches to the manufacture of moulds and dies within these industries. The traditional technology employed in the manufacture of moulds and dies combined conventional milling and electro-discharge machining (EDM) but this has been replaced with  high-speed milling (HSM) which has been applied in roughing, semi-finishing and finishing of moulds and dies with great success. Machining of Complex Sculptured Surfaces provides recent information on machining of complex sculptured surfaces including modern CAM systems and process planning for three and five axis machining as well as explanations of the advantages of HSM over traditional methods ra...

  17. Removal of arsenate by ferrihydrite via surface complexation and surface precipitation

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Xiuli [Department of Environment Engineering, College of the Environment and Ecology, and The Key Laboratory of the Ministry of Education for Coastal and Wetland Ecosystem, Xiamen University, Xiamen (China); Department of Chemical and Biochemical Engineering, College of Chemistry and Chemical Engineering, and The Key Laboratory for Synthetic Biotechnology of Xiamen City, Xiamen University, Xiamen (China); Peng, Changjun; Fu, Dun; Chen, Zheng [Department of Environment Engineering, College of the Environment and Ecology, and The Key Laboratory of the Ministry of Education for Coastal and Wetland Ecosystem, Xiamen University, Xiamen (China); Shen, Liang [Department of Chemical and Biochemical Engineering, College of Chemistry and Chemical Engineering, and The Key Laboratory for Synthetic Biotechnology of Xiamen City, Xiamen University, Xiamen (China); Li, Qingbiao [Department of Environment Engineering, College of the Environment and Ecology, and The Key Laboratory of the Ministry of Education for Coastal and Wetland Ecosystem, Xiamen University, Xiamen (China); Department of Chemical and Biochemical Engineering, College of Chemistry and Chemical Engineering, and The Key Laboratory for Synthetic Biotechnology of Xiamen City, Xiamen University, Xiamen (China); Ouyang, Tong, E-mail: yz3t@xmu.edu.cn [Department of Environment Engineering, College of the Environment and Ecology, and The Key Laboratory of the Ministry of Education for Coastal and Wetland Ecosystem, Xiamen University, Xiamen (China); Wang, Yuanpeng, E-mail: wypp@xmu.edu.cn [Department of Chemical and Biochemical Engineering, College of Chemistry and Chemical Engineering, and The Key Laboratory for Synthetic Biotechnology of Xiamen City, Xiamen University, Xiamen (China)

    2015-10-30

    Graphical abstract: - Highlights: • Surface complexation and surface precipitation of As on ferrihydrite happen at pH 3–6. • The formation of surface precipitation enhanced As(V) adsorption. • The dissolved Fe{sup 3+} had a good linear relationship with the amount of arsenate re-adsorption. - Abstract: In this study, macroscopic and spectroscopic experimental methods accurately modeled the sorption process of arsenate on ferrihydrite. EXAFS, X-ray diffraction and infrared (IR) spectroscopy indicated that the behavior of As(V) adsorption onto ferrihydrite took place mainly via surface complexation and surface precipitation at acidic pH (3.0–6.0), while the surface precipitation was dominated at longer time intervals and higher Fe{sup 3+} concentration. The macroscopic competitive adsorption experiment between arsenate with phosphate indicated two types of adsorption sites existing on the surface of ferrihydrite, i.e., non-exchangeable sites, which are responsible for a rapid surface complex formation; and exchangeable sites for a slow build-up of surface precipitates. In the slow build-up precipitates, the As(V) surface coverage (mmol/g) exhibited a good linear relationship (R{sup 2} = 0.952) with the amount of dissolved Fe{sup 3+}. Three steps are involved during the process of surface precipitation, i.e., (1) an initial uptake of As(V) via surface complexation; (2) re-adsorption of Fe{sup 3+} leaching from ferrihydrite on the surface complex; and (3) As(V) adsorption via surface complexation again and finally forming the surface precipitate.

  18. Predictive Surface Complexation Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Sverjensky, Dimitri A. [Johns Hopkins Univ., Baltimore, MD (United States). Dept. of Earth and Planetary Sciences

    2016-11-29

    Surface complexation plays an important role in the equilibria and kinetics of processes controlling the compositions of soilwaters and groundwaters, the fate of contaminants in groundwaters, and the subsurface storage of CO2 and nuclear waste. Over the last several decades, many dozens of individual experimental studies have addressed aspects of surface complexation that have contributed to an increased understanding of its role in natural systems. However, there has been no previous attempt to develop a model of surface complexation that can be used to link all the experimental studies in order to place them on a predictive basis. Overall, my research has successfully integrated the results of the work of many experimentalists published over several decades. For the first time in studies of the geochemistry of the mineral-water interface, a practical predictive capability for modeling has become available. The predictive correlations developed in my research now enable extrapolations of experimental studies to provide estimates of surface chemistry for systems not yet studied experimentally and for natural and anthropogenically perturbed systems.

  19. Synthesizing Earth's geochemical data for hydrogeochemical analysis

    Science.gov (United States)

    Brantley, S. L.; Kubicki, J.; Miller, D.; Richter, D.; Giles, L.; Mitra, P.

    2007-12-01

    For over 200 years, geochemical, microbiological, and chemical data have been collected to describe the evolution of the surface earth. Many of these measurements are data showing variations in time or in space. To forward predict hydrologic response to changing tectonic, climatic, or anthropogenic forcings requires synthesis of these data and utilization in hydrogeochemical models. Increasingly, scientists are attempting to synthesize such data in order to make predictions for new regions or for future time periods. However, to make such complex geochemical data accessible requires development of sophisticated cyberinfrastructures that both invite uploading as well as usage of data. Two such cyberinfrastructure (CI) initiatives are currently developing, one to invite and promote the use of environmental kinetics data (laboratory time course data) through ChemxSeer, and the other to invite and promote the use of spatially indexed geochemical data for the Earth's Critical Zone through CZEN.org. The vision of these CI initiatives is to provide cyber-enhanced portals that encourage domain scientists to upload their data before publication (in private cyberspace), and to make these data eventually publicly accessible (after an embargo period). If the CI can be made to provide services to the domain specialist - e.g. to provide data analysis services or data comparison services - we envision that scientists will upload data. In addition, the CI can promote the use and comparison of datasets across disciplines. For example, the CI can facilitate the use of spatially indexed geochemical data by scientists more accustomed to dealing with time-course data for hydrologic flow, and can provide user-friendly interfaces with CI established to facilitate the use of hydrologic data. Examples of the usage of synthesized data to predict soil development over the last 13ky and its effects on active hydrological flow boundaries in surficial systems will be discussed for i) a N

  20. Modules based on the geochemical model PHREEQC for use in scripting and programming languages

    Science.gov (United States)

    Charlton, Scott R.; Parkhurst, David L.

    2011-01-01

    The geochemical model PHREEQC is capable of simulating a wide range of equilibrium reactions between water and minerals, ion exchangers, surface complexes, solid solutions, and gases. It also has a general kinetic formulation that allows modeling of nonequilibrium mineral dissolution and precipitation, microbial reactions, decomposition of organic compounds, and other kinetic reactions. To facilitate use of these reaction capabilities in scripting languages and other models, PHREEQC has been implemented in modules that easily interface with other software. A Microsoft COM (component object model) has been implemented, which allows PHREEQC to be used by any software that can interface with a COM server—for example, Excel®, Visual Basic®, Python, or MATLAB". PHREEQC has been converted to a C++ class, which can be included in programs written in C++. The class also has been compiled in libraries for Linux and Windows that allow PHREEQC to be called from C++, C, and Fortran. A limited set of methods implements the full reaction capabilities of PHREEQC for each module. Input methods use strings or files to define reaction calculations in exactly the same formats used by PHREEQC. Output methods provide a table of user-selected model results, such as concentrations, activities, saturation indices, and densities. The PHREEQC module can add geochemical reaction capabilities to surface-water, groundwater, and watershed transport models. It is possible to store and manipulate solution compositions and reaction information for many cells within the module. In addition, the object-oriented nature of the PHREEQC modules simplifies implementation of parallel processing for reactive-transport models. The PHREEQC COM module may be used in scripting languages to fit parameters; to plot PHREEQC results for field, laboratory, or theoretical investigations; or to develop new models that include simple or complex geochemical calculations.

  1. Geochemical constraints on the link between volcanism and plutonism at the Yunshan caldera complex, SE China

    Science.gov (United States)

    Yan, Lili; He, Zhenyu; Beier, Christoph; Klemd, Reiner

    2018-01-01

    The Yunshan caldera complex is part of a larger scale, ca. 2000-km-long volcanic-plutonic complex belt in the coastal region of SE China. The volcanic rocks in the caldera complex are characterized by high-silica peraluminous and peralkaline rhyolites associated with an intracaldera porphyritic quartz monzonite pluton. In this study, we present zircon U-Pb, Hf and stable O isotopes along with geochemical data of both volcanic and plutonic rocks to evaluate the potential petrogenetic link between volcanism and plutonism in the Yunshan caldera complex. SHRIMP zircon U-Pb geochronology of both volcanic and plutonic rocks yields almost identical ages ranging from 95.6 to 93.1 Ma. The peraluminous and peralkaline rhyolites show negative anomalies of Sr, P, Ti and Ba and to a lesser extent negative Nb and Ta anomalies, along with positive Rb anomalies and `seagull-like' rare earth element (REE) patterns with negative Eu anomalies and low (La/Yb)N ratios. The intracaldera porphyritic quartz monzonite displays minor negative Rb, Nb, Ta, Sr, P and Ti anomalies and a positive Ba anomaly with REE patterns characterized by relatively high (La/Yb)N ratios and lack significant Eu anomalies. The peraluminous and peralkaline rhyolites and the porphyritic quartz monzonite exhibit consistent ɛ Nd( t) of - 3.7 to - 2.2 and display zircon ɛ Hf( t) values of - 2.1 to 3.7. They further have similar, mantle-like, zircon oxygen isotopic compositions (δ18OVSMOW mainly = 4.63 to 5.76‰). We interpret these observations to be in agreement with a crystal mush model in which the parental magma of the volcanic and plutonic rocks of the Yunshan caldera complex was likely produced by interaction of asthenosphere melts with subduction-influenced enriched mantle wedge. The peralkaline rhyolites are interpreted to represent the most differentiated magma that has subsequently experienced significant fluid-melt interactions, whereas the porphyritic quartz monzonite may be representative of the

  2. Neptunium (V) Adsorption to a Halophilic Bacterium Under High Ionic Strength Conditions: A Surface Complexation Modeling Approach

    Energy Technology Data Exchange (ETDEWEB)

    Ams, David A [Los Alamos National Laboratory

    2012-06-11

    Rationale for experimental design: Np(V) -- important as analog for Pu(V) and for HLW scenarios; High ionic strength -- relevant to salt-based repositories such as the WIPP; Halophilic microorganisms -- representative of high ionic strength environments. For the first time showed: Significant adsorbant to halophilic microorganisms over entire pH range under high ionic strength conditions; Strong influence of ionic strength with increasing adsorption with increasing ionic strength (in contrast to trends of previous low ionic strength studies); Effect of aqueous Np(V) and bacterial surface site speciation on adsorption; and Developed thermodynamic models that can be incorporated into geochemical speciation models to aid in the prediction of the fate and transport of Np(V) in more complex systems.

  3. Monitoring active volcanoes: The geochemical approach

    Directory of Open Access Journals (Sweden)

    Takeshi Ohba

    2011-06-01

    Full Text Available

    The geochemical surveillance of an active volcano aims to recognize possible signals that are related to changes in volcanic activity. Indeed, as a consequence of the magma rising inside the volcanic "plumbing system" and/or the refilling with new batches of magma, the dissolved volatiles in the magma are progressively released as a function of their relative solubilities. When approaching the surface, these fluids that are discharged during magma degassing can interact with shallow aquifers and/or can be released along the main volcano-tectonic structures. Under these conditions, the following main degassing processes represent strategic sites to be monitored.

    The main purpose of this special volume is to collect papers that cover a wide range of topics in volcanic fluid geochemistry, which include geochemical characterization and geochemical monitoring of active volcanoes using different techniques and at different sites. Moreover, part of this volume has been dedicated to the new geochemistry tools.

  4. Novel geochemical techniques integrated in exploration for uranium deposits at depth

    International Nuclear Information System (INIS)

    Kyser, K.

    2014-01-01

    Mineral deposits are in fact geochemical anomalies, and as such their detection and assessment of their impact on the environment should be facilitated using geochemical techniques. Although geochemistry has been used directly in the discovery of uranium deposits and more indirectly in shaping deposit models, the novel applications of geochemistry and integration with other data can be more effective in formulating exploration and remediation strategies. Recent research on the use of geochemistry in detecting uranium deposits at depth include: (1) more effective integration of geochemical with geophysical data to refine targets, (2) revealing element distributions in and around deposits to adequately assess the total chemical environment associated with the deposit, (3) the use of element tracing using elemental concentrations and isotopic compositions in the near surface environment to detect specific components that have migrated to the surface from uranium deposits at depth, (4) understand the effects of both macro- and micro-environments on element mobility across the geosphere-biosphere interface to enhance exploration using select media for uranium at depth. Geophysical data used in exploration can identify areas of conductors where redox contrasts may host mineralization, structures that act to focus fluids during formation of the deposits and act as conduits for element migration to the surface, and contrasts in geology that are required for the deposits. However, precision of these data is greatly diminished with depth, but geochemical data from drill core or surface media can enhance target identification when integrated with geophysical data. Geochemical orientation surveys over known unconformity-related deposits at depth clearly identify mineralization 900m deep. Drill core near the deposit, clay-size fractions separated from soil horizons and vegetation over and far from the deposit record element migration from the deposit as radiogenic He, Rn and Pb

  5. Surface geochemical data evaluation and integration with geophysical observations for hydrocarbon prospecting, Tapti graben, Deccan Syneclise, India

    Directory of Open Access Journals (Sweden)

    T. Satish Kumar

    2014-05-01

    Full Text Available The Deccan Syneclise is considered to have significant hydrocarbon potential. However, significant hydrocarbon discoveries, particularly for Mesozoic sequences, have not been established through conventional exploration due to the thick basalt cover over Mesozoic sedimentary rocks. In this study, near-surface geochemical data are used to understand the petroleum system and also investigate type of source for hydrocarbons generation of the study area. Soil samples were collected from favorable areas identified by integrated geophysical studies. The compositional and isotopic signatures of adsorbed gaseous hydrocarbons (methane through butane were used as surface indicators of petroleum micro-seepages. An analysis of 75 near-surface soil-gas samples was carried out for light hydrocarbons (C1–C4 and their carbon isotopes from the western part of Tapti graben, Deccan Syneclise, India. The geochemical results reveal sites or clusters of sites containing anomalously high concentrations of light hydrocarbon gases. High concentrations of adsorbed thermogenic methane (C1 = 518 ppb and ethane plus higher hydrocarbons (ΣC2+ = 977 ppb were observed. Statistical analysis shows that samples from 13% of the samples contain anomalously high concentrations of light hydrocarbons in the soil-gas constituents. This seepage suggests largest magnitude of soil gas anomalies might be generated/source from Mesozoic sedimentary rocks, beneath Deccan Traps. The carbon isotopic composition of methane, ethane and propane ranges are from −22.5‰ to −30.2‰ PDB, −18.0‰ to 27.1‰ PDB and 16.9‰–32.1‰ PDB respectively, which are in thermogenic source. Surface soil sample represents the intersection of a migration conduit from the deep subsurface to the surface connected to sub-trappean Mesozoic sedimentary rocks. Prominent hydrocarbon concentrations were associated with dykes, lineaments and presented on thinner basaltic cover in the study area

  6. Geochemical and hydrodynamic phosphorus retention mechanisms in lowland catchments

    NARCIS (Netherlands)

    van der Grift, B.

    2017-01-01

    The release of phosphorus (P) to surface water from heavily fertilised agricultural fields is of major importance for surface water quality. The research reported in this thesis examined the role of geochemical and hydrodynamic processes controlling P speciation and transport in lowland catchments

  7. Geochemical modelling: what phenomena are missing

    International Nuclear Information System (INIS)

    Jacquier, P.

    1989-12-01

    In the framework of safety assessment of radioactive waste disposal, retention phenomena are usually taken into account by the Kd concept. It is well recognized that this concept is not enough for safety assessment models, because of the several and strong assumptions which are involved in this kind of representation. One way to have a better representation of the retention phenomena, is to substitute for this Kd concept an explicit description of geochemical phenomena and then couple transport codes with geochemical codes in a fully or a two-step procedure. We use currently such codes, but the scope of this paper is to display the limits today of the geochemical modelling in connection with sites analysis for deep disposal. In this paper, we intend to give an overview of phenomena which are missing in the geochemical models, or which are not completely introduced in the models. We can distinguish, on one hand phenomena for which modelling concepts exist such as adsorption/desorption and, on the other hand, phenomena for which modelling concepts do not exist for the moment such as colloids, and complexation by polyelectrolyte solutions (organics). Moreover we have to take care of very low concentrations of radionuclides, which can be expected from the leaching processes in the repository. Under those conditions, some reactions may not occur. After a critical review of the involved phenomena, we intend to stress the main directions of the wishful evolution of the geochemical modelling. This evolution should improve substantially the quality of the above-mentioned site assessments

  8. Arsenic mobilization in an oxidizing alkaline groundwater: Experimental studies, comparison and optimization of geochemical modeling parameters

    International Nuclear Information System (INIS)

    Hafeznezami, Saeedreza; Lam, Jacquelyn R.; Xiang, Yang; Reynolds, Matthew D.; Davis, James A.; Lin, Tiffany; Jay, Jennifer A.

    2016-01-01

    Arsenic (As) mobilization and contamination of groundwater affects millions of people worldwide. Progress in developing effective in-situ remediation schemes requires the incorporation of data from laboratory experiments and field samples into calibrated geochemical models. In an oxidizing aquifer where leaching of high pH industrial waste from unlined surface impoundments led to mobilization of naturally occurring As up to 2 mg L −1 , sequential extractions of solid phase As as well as, batch sediment microcosm experiments were conducted to understand As partitioning and solid-phase sorptive and buffering capacity. These data were combined with field data to create a series of geochemical models of the system with modeling programs PHREEQC and FITEQL. Different surface complexation modeling approaches, including component additivity (CA), generalized composite (GC), and a hybrid method were developed, compared and fitted to data from batch acidification experiments to simulate potential remediation scenarios. Several parameters strongly influence the concentration of dissolved As including pH, presence of competing ions (particularly phosphate) and the number of available sorption sites on the aquifer solids. Lowering the pH of groundwater to 7 was found to have a variable, but limited impact (<63%) on decreasing the concentration of dissolved As. The models indicate that in addition to lowering pH, decreasing the concentration of dissolved phosphate and/or increasing the number of available sorption sites could significantly decrease the As solubility to levels below 10 μg L −1 . The hybrid and GC modeling results fit the experimental data well (NRMSE<10%) with reasonable effort and can be implemented in further studies for validation. - Highlights: • Samples were collected from an oxidizing aquifer where high pH waste has led to mobilization of naturally occurring As. • Three surface complexation modeling approaches were used in modeling adsorption

  9. The mineralogic evolution of the Martian surface through time: Implications from chemical reaction path modeling studies

    Science.gov (United States)

    Plumlee, G. S.; Ridley, W. I.; Debraal, J. D.; Reed, M. H.

    1993-01-01

    Chemical reaction path calculations were used to model the minerals that might have formed at or near the Martian surface as a result of volcano or meteorite impact driven hydrothermal systems; weathering at the Martian surface during an early warm, wet climate; and near-zero or sub-zero C brine-regolith reactions in the current cold climate. Although the chemical reaction path calculations carried out do not define the exact mineralogical evolution of the Martian surface over time, they do place valuable geochemical constraints on the types of minerals that formed from an aqueous phase under various surficial and geochemically complex conditions.

  10. Validation of the WATEQ4 geochemical model for uranium

    International Nuclear Information System (INIS)

    Krupka, K.M.; Jenne, E.A.; Deutsch, W.J.

    1983-09-01

    As part of the Geochemical Modeling and Nuclide/Rock/Groundwater Interactions Studies Program, a study was conducted to partially validate the WATEQ4 aqueous speciation-solubility geochemical model for uranium. The solubility controls determined with the WATEQ4 geochemical model were in excellent agreement with those laboratory studies in which the solids schoepite [UO 2 (OH) 2 . H 2 O], UO 2 (OH) 2 , and rutherfordine ((UO 2 CO 3 ) were identified as actual solubility controls for uranium. The results of modeling solution analyses from laboratory studies of uranyl phosphate solids, however, identified possible errors in the characterization of solids in the original solubility experiments. As part of this study, significant deficiencies in the WATEQ4 thermodynamic data base for uranium solutes and solids were corrected. Revisions included recalculation of selected uranium reactions. Additionally, thermodynamic data for the hydroxyl complexes of U(VI), including anionic (VI) species, were evaluated (to the extent permitted by the available data). Vanadium reactions were also added to the thermodynamic data base because uranium-vanadium solids can exist in natural ground-water systems. This study is only a partial validation of the WATEQ4 geochemical model because the available laboratory solubility studies do not cover the range of solid phases, alkaline pH values, and concentrations of inorganic complexing ligands needed to evaluate the potential solubility of uranium in ground waters associated with various proposed nuclear waste repositories. Further validation of this or other geochemical models for uranium will require careful determinations of uraninite solubility over the pH range of 7 to 10 under highly reducing conditions and of uranyl hydroxide and phosphate solubilities over the pH range of 7 to 10 under oxygenated conditions

  11. Towards a consistent geochemical model for prediction of uranium(VI) removal from groundwater by ferrihydrite

    International Nuclear Information System (INIS)

    Gustafsson, Jon Petter; Daessman, Ellinor; Baeckstroem, Mattias

    2009-01-01

    Uranium(VI), which is often elevated in granitoidic groundwaters, is known to adsorb strongly to Fe (hydr)oxides under certain conditions. This process can be used in water treatment to remove U(VI). To develop a consistent geochemical model for U(VI) adsorption to ferrihydrite, batch experiments were performed and previous data sets reviewed to optimize a set of surface complexation constants using the 3-plane CD-MUSIC model. To consider the effect of dissolved organic matter (DOM) on U(VI) speciation, new parameters for the Stockholm Humic Model (SHM) were optimized using previously published data. The model, which was constrained from available X-ray absorption fine structure (EXAFS) spectroscopy evidence, fitted the data well when the surface sites were divided into low- and high-affinity binding sites. Application of the model concept to other published data sets revealed differences in the reactivity of different ferrihydrites towards U(VI). Use of the optimized SHM parameters for U(VI)-DOM complexation showed that this process is important for U(VI) speciation at low pH. However in neutral to alkaline waters with substantial carbonate present, Ca-U-CO 3 complexes predominate. The calibrated geochemical model was used to simulate U(VI) adsorption to ferrihydrite for a hypothetical groundwater in the presence of several competitive ions. The results showed that U(VI) adsorption was strong between pH 5 and 8. Also near the calcite saturation limit, where U(VI) adsorption was weakest according to the model, the adsorption percentage was predicted to be >80%. Hence U(VI) adsorption to ferrihydrite-containing sorbents may be used as a method to bring down U(VI) concentrations to acceptable levels in groundwater

  12. Bacterial communities associated with subsurface geochemical processes in continental serpentinite springs.

    Science.gov (United States)

    Brazelton, William J; Morrill, Penny L; Szponar, Natalie; Schrenk, Matthew O

    2013-07-01

    Reactions associated with the geochemical process of serpentinization can generate copious quantities of hydrogen and low-molecular-weight organic carbon compounds, which may provide energy and nutrients to sustain subsurface microbial communities independently of the photosynthetically supported surface biosphere. Previous microbial ecology studies have tested this hypothesis in deep sea hydrothermal vents, such as the Lost City hydrothermal field. This study applied similar methods, including molecular fingerprinting and tag sequencing of the 16S rRNA gene, to ultrabasic continental springs emanating from serpentinizing ultramafic rocks. These molecular surveys were linked with geochemical measurements of the fluids in an interdisciplinary approach designed to distinguish potential subsurface organisms from those derived from surface habitats. The betaproteobacterial genus Hydrogenophaga was identified as a likely inhabitant of transition zones where hydrogen-enriched subsurface fluids mix with oxygenated surface water. The Firmicutes genus Erysipelothrix was most strongly correlated with geochemical factors indicative of subsurface fluids and was identified as the most likely inhabitant of a serpentinization-powered subsurface biosphere. Both of these taxa have been identified in multiple hydrogen-enriched subsurface habitats worldwide, and the results of this study contribute to an emerging biogeographic pattern in which Betaproteobacteria occur in near-surface mixing zones and Firmicutes are present in deeper, anoxic subsurface habitats.

  13. Geochemical typification of kimberlite and related rocks of the North Anabar region, Yakutia

    Science.gov (United States)

    Kargin, A. V.; Golubeva, Yu. Yu.

    2017-11-01

    The results of geochemical typification of kimberlites and related rocks (alneites and carbonatites) of the North Anabar region are presented with consideration of the geochemical specification of their source and estimation of their potential for diamonds. The content of representative trace elements indicates the predominant contribution of an asthenospheric component (kimberlites and carbonatites) in their source, with a subordinate contribution of vein metasomatic formations containing Cr-diopside and ilmenite. A significant contribution of water-bearing potassium metasomatic parageneses is not recognized. According to the complex of geochemical data, the studied rocks are not industrially diamondiferous.

  14. Mineralogical and geochemical patterns of urban surface soils, the example of Pforzheim, Germany

    International Nuclear Information System (INIS)

    Norra, Stefan; Lanka-Panditha, Mahesh; Kramar, Utz; Stueben, Doris

    2006-01-01

    This study presents a combined geochemical and mineralogical survey of urban surface soils. Many studies on urban soils are restricted to purely chemical surveys in order to investigate soil pollution caused by anthropogenic activities such as traffic, heating, industrial processing, waste disposal and many more. In environmental studies, chemical elements are often distinguished as lithogenic and anthropogenic elements. As a novel contribution to those studies, the authors combined the analysis of a broad set of chemical elements with the analysis of the main mineralogical phases. The semi-quantification of mineralogical phases supported the assignment of groups of chemical elements to lithogenic or anthropogenic origin. Minerals are important sinks for toxic elements. Thus, knowledge about their distribution in soils is crucial for the assessment of the environmental hazards due to pollution of urban soils. In Pforzheim, surface soils (0-5 cm depth) from various land use types (forest, agriculture, urban green space, settlement areas of various site densities) overlying different geological units (clastic and chemical sediments) were investigated. Urban surface soils of Pforzheim reflect to a considerable degree the mineral and chemical composition of parent rocks. Irrespective of the parent rocks, elevated concentrations of heavy metals (Zn, Cu, Pb, Sn, Ag) were found in soils throughout the whole inner urban settlement area of Pforzheim indicating pollution. These pollutants will tend to accumulate in inner urban surface soils according to the available adsorption capacity, which is normally higher in soils overlying limestone than in soils overlying sandstone. However, inner urban surface soils overlying sandstone show elevated concentrations of carbonates, phyllo-silicates and Fe and elevated pH values compared with forest soils overlying sandstone. Thus, in comparison to forest soils overlying sandstones, inner urban soils overlying sandstone affected by

  15. Estimation of Supraglacial Dust and Debris Geochemical Composition via Satellite Reflectance and Emissivity

    Science.gov (United States)

    Casey, Kimberly Ann; Kaab, Andreas

    2012-01-01

    We demonstrate spectral estimation of supraglacial dust, debris, ash and tephra geochemical composition from glaciers and ice fields in Iceland, Nepal, New Zealand and Switzerland. Surface glacier material was collected and analyzed via X-ray fluorescence spectroscopy (XRF) and X-ray diffraction (XRD) for geochemical composition and mineralogy. In situ data was used as ground truth for comparison with satellite derived geochemical results. Supraglacial debris spectral response patterns and emissivity-derived silica weight percent are presented. Qualitative spectral response patterns agreed well with XRF elemental abundances. Quantitative emissivity estimates of supraglacial SiO2 in continental areas were 67% (Switzerland) and 68% (Nepal), while volcanic supraglacial SiO2 averages were 58% (Iceland) and 56% (New Zealand), yielding general agreement. Ablation season supraglacial temperature variation due to differing dust and debris type and coverage was also investigated, with surface debris temperatures ranging from 5.9 to 26.6 C in the study regions. Applications of the supraglacial geochemical reflective and emissive characterization methods include glacier areal extent mapping, debris source identification, glacier kinematics and glacier energy balance considerations.

  16. Estimation of Supraglacial Dust and Debris Geochemical Composition via Satellite Reflectance and Emissivity

    Directory of Open Access Journals (Sweden)

    Kimberly Casey

    2012-09-01

    Full Text Available We demonstrate spectral estimation of supraglacial dust, debris, ash and tephra geochemical composition from glaciers and ice fields in Iceland, Nepal, New Zealand and Switzerland. Surface glacier material was collected and analyzed via X-ray fluorescence spectroscopy (XRF and X-ray diffraction (XRD for geochemical composition and mineralogy. In situ data was used as ground truth for comparison with satellite derived geochemical results. Supraglacial debris spectral response patterns and emissivity-derived silica weight percent are presented. Qualitative spectral response patterns agreed well with XRF elemental abundances. Quantitative emissivity estimates of supraglacial SiO2 in continental areas were 67% (Switzerland and 68% (Nepal, while volcanic supraglacial SiO2 averages were 58% (Iceland and 56% (New Zealand, yielding general agreement. Ablation season supraglacial temperature variation due to differing dust and debris type and coverage was also investigated, with surface debris temperatures ranging from 5.9 to 26.6 C in the study regions. Applications of the supraglacial geochemical reflective and emissive characterization methods include glacier areal extent mapping, debris source identification, glacier kinematics and glacier energy balance considerations.

  17. Geochemical exploration for uranium

    International Nuclear Information System (INIS)

    1988-01-01

    This Technical Report is designed mainly to introduce the methods and techniques of uranium geochemical exploration to exploration geologists who may not have had experience with geochemical exploration methods in their uranium programmes. The methods presented have been widely used in the uranium exploration industry for more than two decades. The intention has not been to produce an exhaustive, detailed manual, although detailed instructions are given for a field and laboratory data recording scheme and a satisfactory analytical method for the geochemical determination of uranium. Rather, the intention has been to introduce the concepts and methods of uranium exploration geochemistry in sufficient detail to guide the user in their effective use. Readers are advised to consult general references on geochemical exploration to increase their understanding of geochemical techniques for uranium

  18. Holographic subregion complexity for singular surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Bakhshaei, Elaheh [Isfahan University of Technology, Department of Physics, Isfahan (Iran, Islamic Republic of); Mollabashi, Ali [Institute for Research in Fundamental Sciences (IPM), School of Physics, Tehran (Iran, Islamic Republic of); Shirzad, Ahmad [Isfahan University of Technology, Department of Physics, Isfahan (Iran, Islamic Republic of); Institute for Research in Fundamental Sciences (IPM), School of Particles and Accelerators, Tehran (Iran, Islamic Republic of)

    2017-10-15

    Recently holographic prescriptions were proposed to compute the quantum complexity of a given state in the boundary theory. A specific proposal known as 'holographic subregion complexity' is supposed to calculate the complexity of a reduced density matrix corresponding to a static subregion. We study different families of singular subregions in the dual field theory and find the divergence structure and universal terms of holographic subregion complexity for these singular surfaces. We find that there are new universal terms, logarithmic in the UV cut-off, due to the singularities of a family of surfaces including a kink in (2 + 1) dimensions and cones in even dimensional field theories. We also find examples of new divergent terms such as squared logarithm and negative powers times the logarithm of the UV cut-off parameter. (orig.)

  19. Identification of hydrologic and geochemical pathways using high frequency sampling, REE aqueous sampling and soil characterization at Koiliaris Critical Zone Observatory, Crete

    Energy Technology Data Exchange (ETDEWEB)

    Moraetis, Daniel, E-mail: moraetis@mred.tuc.gr [Department of Environmental Engineering, Technical University of Crete, 73100 Chania (Greece); Stamati, Fotini; Kotronakis, Manolis; Fragia, Tasoula; Paranychnianakis, Nikolaos; Nikolaidis, Nikolaos P. [Department of Environmental Engineering, Technical University of Crete, 73100 Chania (Greece)

    2011-06-15

    Highlights: > Identification of hydrological and geochemical pathways within a complex watershed. > Water increased N-NO{sub 3} concentration and E.C. values during flash flood events. > Soil degradation and impact on water infiltration within the Koiliaris watershed. > Analysis of Rare Earth Elements in water bodies for identification of karstic water. - Abstract: Koiliaris River watershed is a Critical Zone Observatory that represents severely degraded soils due to intensive agricultural activities and biophysical factors. It has typical Mediterranean soils under the imminent threat of desertification which is expected to intensify due to projected climate change. High frequency hydro-chemical monitoring with targeted sampling for Rare Earth Elements (REE) analysis of different water bodies and geochemical characterization of soils were used for the identification of hydrologic and geochemical pathways. The high frequency monitoring of water chemical data highlighted the chemical alterations of water in Koiliaris River during flash flood events. Soil physical and chemical characterization surveys were used to identify erodibility patterns within the watershed and the influence of soils on surface and ground water chemistry. The methodology presented can be used to identify the impacts of degraded soils to surface and ground water quality as well as in the design of methods to minimize the impacts of land use practices.

  20. Geochemical sensitivity analysis: Identification of important geochemical parameters for performance assessment studies

    International Nuclear Information System (INIS)

    Siegel, M.; Guzowski, R.; Rechard, R.; Erickson, K.

    1986-01-01

    The EPA Standard for geologic disposal of high level waste requires demonstration that the cumulative discharge of individual radioisotopes over a 10,000 year period at points 5 kilometers from the engineered barrier system will not exceed the limits prescribed in 40 CFR Part 191. The roles of the waste package, engineered facility, hydrogeology and geochemical processes in limiting radionuclide releases all must be considered in calculations designed to assess compliance of candidate repositories with the EPA Standard. In this talk, they will discuss the geochemical requirements of calculations used in these compliance assessments. In addition, they will describe the complementary roles of (1) simple models designed to bound the radionuclide discharge over the widest reasonable range of geochemical conditions and scenarios and (2) detailed geochemical models which can provide insights into the actual behavior of the radionuclides in the ground water. Finally, they will discuss development of sensitivity/uncertainty techniques designed to identify important site-specific geochemical parameters and processes using data from a basalt formation

  1. Geochemical methods for identification of formations being prospective for uranium

    International Nuclear Information System (INIS)

    Zhukova, A.M.; Komarova, N.I.; Spiridonov, A.A.; Shor, G.M.

    1985-01-01

    Geochemical methods of uranium content evaluation in metamorphic, ultrametamorphic and sedimentary formations are considered. At that, the following four factors are of the highest importance: 1) average uranium content-geochemical background; 2) character of uranium distribution; 3) forms of uranium presence; 4) the value of thorium-uranium ratio. A complex of radiogeochemical criteria, favourable for uranium presence is formulated: high average background content of total and '' mobile''uranium and high value of variation coefficient (80-100% and above); low (approximately one or lower) thorium-uranium ratio; sharp increase in uranium concentration in accessory minerals. Radiogeochemical peculiarities of metamorphic and ultrametamorphic formations prospective for uranium are enumerated. The peculiarities condition specificity of geochemical prospecting methods. Prospecting methods first of all must be directed at the evaluation of radioelement distribution parameters and specification of the forms of their presence

  2. Geochemical and isotopic determination of deep groundwater contributions and salinity to the shallow groundwater and surface water systems, Mesilla Basin, New Mexico, Texas, and Mexico

    Science.gov (United States)

    Robertson, A.; Carroll, K. C.; Kubicki, C.; Purtshert, R.

    2017-12-01

    The Mesilla Basin/Conejos-Médanos aquifer system, extending from southern New Mexico to Chihuahua, Mexico, is a priority transboundary aquifer under the 2006 United States­-Mexico Transboundary Aquifer Assessment Act. Declining water levels, deteriorating water quality, and increasing groundwater use by municipal, industrial, and agricultural users on both sides of the international border raise concerns about long-term aquifer sustainability. Relative contributions of present-day and "paleo" recharge to sustainable fresh groundwater yields has not been determined and evidence suggests that a large source of salinity at the distal end of the Mesilla Basin is saline discharge from deep groundwater flow. The magnitude and distribution of those deep saline flow paths are not determined. The contribution of deep groundwater to discharge and salinity in the shallow groundwater and surface water of the Mesilla Basin will be determined by collecting discrete groundwater samples and analyzing for aqueous geochemical and isotopic tracers, as well as the radioisotopes of argon and krypton. Analytes include major ions, trace elements, the stable isotopes of water, strontium and boron isotopes, uranium isotopes, the carbon isotopes of dissolved inorganic carbon, noble gas concentrations and helium isotope ratios. Dissolved gases are extracted and captured from groundwater wells using membrane contactors in a process known as ultra-trace sampling. Gas samples are analyzed for radioisotope ratios of krypton by the ATTA method and argon by low-level counting. Effectiveness of the ultra-trace sampling device and method was evaluated by comparing results of tritium concentrations to the krypton-85 content. Good agreement between the analyses, especially in samples with undetectable tritium, indicates that the ultra-trace procedure is effective and confirms that introduction of atmospheric air has not occurred. The geochemistry data indicate a complex system of geochemical

  3. Uncertainty analysis of point-by-point sampling complex surfaces using touch probe CMMs DOE for complex surfaces verification with CMM

    DEFF Research Database (Denmark)

    Barini, Emanuele Modesto; Tosello, Guido; De Chiffre, Leonardo

    2010-01-01

    The paper describes a study concerning point-by-point sampling of complex surfaces using tactile CMMs. A four factor, two level completely randomized factorial experiment was carried out, involving measurements on a complex surface configuration item comprising a sphere, a cylinder and a cone, co...

  4. Status report on geochemical modelling

    International Nuclear Information System (INIS)

    Read, D.

    1991-12-01

    This report describes the findings of a review undertaken on behalf of the project management group of the programme 'Endlagersicherheit in der Nachbetriebsphase' based at GSF-IfT (Forschungszentrum fuer Umwelt und Gesundheit - Institut fuer Tieflagerung) to establish the current status of research into the simulation of geochemical processes relevant to radiological assessment. The review is intended to contribute to Stage 1 of a strategy formulated to enhance the use of geochemical models in Germany. Emphasis has been placed on processes deemed to be of greatest relevance to performance assessment for a HLW-repository in a salt dome principally, speciation-solubility in high salinity solutions, complexation by natural organics and generation-transport of colloids. For each of these and other topics covered, a summary is given of fundamental concepts, theoretical representations and their limitations, highlighting, where appropriate, the advantages and disadvantages of alternative approaches. The availability of data to quantify any given representation is addressed, taking into account the need for information at elevated temperatures and pressures. Mass transfer is considered in terms of aqueous, particulate and gas-mediated transport, respectively. (orig.) [de

  5. Geochemical and geo-electrical study of mud pools at the Mutnovsky volcano (South Kamchatka, Russia): Behavior of elements, structures of feeding channels and a model of origin

    International Nuclear Information System (INIS)

    Bessonova, E.P.; Bortnikova, S.B.; Gora, M.P.; Manstein, Yu.A.; Shevko, A.Ya.; Panin, G.L.; Manstein, A.K.

    2012-01-01

    This study presents data on the geochemical composition of boiling mud pools at the Mutnovsky volcano. The physicochemical characteristics of the pools and the concentrations of major, minor and trace elements in pool solutions vary widely. A comparison of the geochemical compositions of host rocks and solutions indicates that leaching from rocks is not the only source of chemicals in thermal solutions. Geophysical studies reveal the inner structure of thermal fields, which reflect the shapes of the underground reservoirs and feed channels. Using geophysical methods (electrical resistivity tomography and frequency domain investigations), it was shown that the vertical structure and complex geochemical zonation of the feed channels leads to a high contrast in the compositions of the mud solutions. These findings answer questions about the origin and composition of surface manifestations. To elucidate the mechanisms of solution formation, an attempt was made to describe the magmatic fluid evolution and the resulting mixing of waters by physical and mathematical models. The model illustrates fluid migration from a magma chamber to the surface. It is shown that the formation of brines corresponding to the mud pool composition is possible during secondary boiling.

  6. The Nasca and Palpa geoglyphs: geophysical and geochemical data

    Science.gov (United States)

    Hartsch, Kerstin; Weller, Andreas; Rosas, Silvia; Reppchen, Gunter

    2009-10-01

    The Nasca geoglyphs in the stone desert in southern Peru are part of our world cultural heritage. These remarkable drawings have roused the interest of scientists from different disciplines. Here we report the results of integrated geophysical, petrophysical, mineralogical, and geochemical investigations of the geoglyphs at six test sites in the stone desert around Nasca and Palpa. The geomagnetic measurements revealed clear indications of subsurface structures that differ from the visible surface geoglyphs. The high-resolution geoelectrical images show unexpected resistivity anomalies underneath the geoglyphs down to a depth of about 2 m. Remarkable structures were revealed in both vertical and lateral directions. No evidence was found of geochemical or mineralogical alterations of the natural geogenic materials (desert pavement environment versus geoglyphs). Neither salts nor other mineral materials were used by the Nasca people to alter or prepare the surfaces of geoglyphs. This supports the hypothesis that the Nasca people simply removed stone material down to the natural hard pan horizon to create the geoglyphs.

  7. A unified approach to model uptake kinetics of trace elements in complex aqueous – solid solution systems

    International Nuclear Information System (INIS)

    Thien, Bruno M.J.; Kulik, Dmitrii A.; Curti, Enzo

    2014-01-01

    Highlights: • There are several models able to describe trace element partitioning in growing minerals. • To describe complex systems, those models must be embedded in a geochemical code. • We merged two models into a unified one suitable for implementation in a geochemical code. • This unified model was tested against coprecipitation experimental data. • We explored how our model reacts to solution depletion effects. - Abstract: Thermodynamics alone is usually not sufficient to predict growth-rate dependencies of trace element partitioning into host mineral solid solutions. In this contribution, two uptake kinetic models were analyzed that are promising in terms of mechanistic understanding and potential for implementation in geochemical modelling codes. The growth Surface Entrapment Model (Watson, 2004) and the Surface Reaction Kinetic Model (DePaolo, 2011) were shown to be complementary, and under certain assumptions merged into a single analytical expression. This Unified Uptake Kinetics Model was implemented in GEMS3K and GEM-Selektor codes ( (http://gems.web.psi.ch)), a Gibbs energy minimization package for geochemical modelling. This implementation extends the applicability of the unified uptake kinetics model to accounting for non-trivial factors influencing the trace element partitioning into solid solutions, such as the changes in aqueous solution composition and speciation, or the depletion effects in closed geochemical systems

  8. Methods for geochemical analysis

    Science.gov (United States)

    Baedecker, Philip A.

    1987-01-01

    The laboratories for analytical chemistry within the Geologic Division of the U.S. Geological Survey are administered by the Office of Mineral Resources. The laboratory analysts provide analytical support to those programs of the Geologic Division that require chemical information and conduct basic research in analytical and geochemical areas vital to the furtherance of Division program goals. Laboratories for research and geochemical analysis are maintained at the three major centers in Reston, Virginia, Denver, Colorado, and Menlo Park, California. The Division has an expertise in a broad spectrum of analytical techniques, and the analytical research is designed to advance the state of the art of existing techniques and to develop new methods of analysis in response to special problems in geochemical analysis. The geochemical research and analytical results are applied to the solution of fundamental geochemical problems relating to the origin of mineral deposits and fossil fuels, as well as to studies relating to the distribution of elements in varied geologic systems, the mechanisms by which they are transported, and their impact on the environment.

  9. An initial research on solute migration model coupled with adsorption of surface complexation in groundwater

    International Nuclear Information System (INIS)

    Qian Tianwei; Chen Fanrong

    2003-01-01

    The influence of solution chemical action in groundwater on solute migration has attracted increasing public attention, especially adsorption action occurring on surface of solid phase and liquid phase, which has play a great role in solute migration. There are various interpretations on adsorption mechanism, in which surface complexion is one of successful hypothesis. This paper first establishes a geochemical model based on surface complexion and then coupled it with traditional advection-dispersion model to constitute a solute migration model, which can deal with surface complexion action. The simulated results fit very well with those obtained by the precursors, as compared with a published famous example, which indicates that the model set up by this paper is successful. (authors)

  10. Geochemical processes to mobilization of radionuclides from radioactive waste

    International Nuclear Information System (INIS)

    Bragea, M.

    2005-01-01

    On time to alteration the waste by natural weather in isolated area of waste dumps we can notice chemical, biochemical and geochemical modification. Disposability and flow of water are two of the most important parameter which affect the waste chemistry and migration of contamination from wastes. The water behaves like a mechanism of transport for cationic and anionic components and influenced solubility and salt migration from dump. The salt migration towards residue surfaces is affected by short distance between water and surface. The salts are redissolving and moving through the capillary towards the surface when precipitate. The reactions inside of waste are influenced by geochemical point of view mainly by the amount of sulfated salts and chloride, by the disposability of water, pH and by the chemical mineral heterogeneous of waste. Obviously, if the process of alteration by atmospherically agents and those effects about waste can be minimized we could minimize even chemical modification in order to form the salts. This paper examines the mechanism by which 226 Ra and U nat can enter in groundwater and those, which control its concentration. (author)

  11. Geochemical studies, magmatic evolution, microstructures and replacement mechanisms in Jebale-Barez granitoid Complex (East and Southeast Jiroft

    Directory of Open Access Journals (Sweden)

    Jamal Rasouli

    2017-08-01

    samples and full matrix correction, the sum of all major oxides was equal to about 100 wt.%. The concentration of trace elements in the selected samples has been performed by Inductively Coupled Plasma-Mass Spectrometry (ICP-MS. The uncertainty is <10% for trace element contents higher than 2 ppm (except for Pb, <15% and <15% for all the other trace elements. Results The microstructures observed in thin sections in this study were grouped into three types: (i magmatic microstructures; (ii submagmatic microstructures and (iii mylonitic microstructures. Magmatic and submagmatic microstructures occurred simultaneously with the emplacement of granitoid complex and mylonitic microstructures that occurred after emplacement of granitoid complex. The magma nature of these rocks is sub-alkaline-(calc-alkaline, which fall into calc-alkaline series with high potassium in SiO2-K2O plots. The geochemical variation diagrams of major oxides, the continuous spectrum of rock compositions has been carried out which indicates the crystallization of magmatic differentiation and extensive appendices. Field observations, petrographic and geochemical studies suggest that the rocks in this area have type I and CAG subsections. Studying the geochemical diagrams of the rocks in the studied area indicates that these rocks have been formed in active continental margin tectononic settings. It seems that the Jebale-Barez granitoid Complex is located within a shear zone. Magma has been percolated through Mijan caldera and emplacement Forms of Sill along the shear zone during various periods and the structural setting of granitoid complex in the Jebale-Barez is extensional-shear fractures which are the product of transpression tectonic regime. Discussion The JBPC is calc-alkaline, high-K, subalkaline, and mostly metaluminous except granite and alkali-granite units which are slightly peraluminous and I type in character. These geochemical properties of the studied granitoids suggest subduction

  12. A comparison study on detection of key geochemical variables and factors through three different types of factor analysis

    Science.gov (United States)

    Hoseinzade, Zohre; Mokhtari, Ahmad Reza

    2017-10-01

    Large numbers of variables have been measured to explain different phenomena. Factor analysis has widely been used in order to reduce the dimension of datasets. Additionally, the technique has been employed to highlight underlying factors hidden in a complex system. As geochemical studies benefit from multivariate assays, application of this method is widespread in geochemistry. However, the conventional protocols in implementing factor analysis have some drawbacks in spite of their advantages. In the present study, a geochemical dataset including 804 soil samples collected from a mining area in central Iran in order to search for MVT type Pb-Zn deposits was considered to outline geochemical analysis through various fractal methods. Routine factor analysis, sequential factor analysis, and staged factor analysis were applied to the dataset after opening the data with (additive logratio) alr-transformation to extract mineralization factor in the dataset. A comparison between these methods indicated that sequential factor analysis has more clearly revealed MVT paragenesis elements in surface samples with nearly 50% variation in F1. In addition, staged factor analysis has given acceptable results while it is easy to practice. It could detect mineralization related elements while larger factor loadings are given to these elements resulting in better pronunciation of mineralization.

  13. Alaska Geochemical Database (AGDB)-Geochemical data for rock, sediment, soil, mineral, and concentrate sample media

    Science.gov (United States)

    Granitto, Matthew; Bailey, Elizabeth A.; Schmidt, Jeanine M.; Shew, Nora B.; Gamble, Bruce M.; Labay, Keith A.

    2011-01-01

    The Alaska Geochemical Database (AGDB) was created and designed to compile and integrate geochemical data from Alaska in order to facilitate geologic mapping, petrologic studies, mineral resource assessments, definition of geochemical baseline values and statistics, environmental impact assessments, and studies in medical geology. This Microsoft Access database serves as a data archive in support of present and future Alaskan geologic and geochemical projects, and contains data tables describing historical and new quantitative and qualitative geochemical analyses. The analytical results were determined by 85 laboratory and field analytical methods on 264,095 rock, sediment, soil, mineral and heavy-mineral concentrate samples. Most samples were collected by U.S. Geological Survey (USGS) personnel and analyzed in USGS laboratories or, under contracts, in commercial analytical laboratories. These data represent analyses of samples collected as part of various USGS programs and projects from 1962 to 2009. In addition, mineralogical data from 18,138 nonmagnetic heavy mineral concentrate samples are included in this database. The AGDB includes historical geochemical data originally archived in the USGS Rock Analysis Storage System (RASS) database, used from the mid-1960s through the late 1980s and the USGS PLUTO database used from the mid-1970s through the mid-1990s. All of these data are currently maintained in the Oracle-based National Geochemical Database (NGDB). Retrievals from the NGDB were used to generate most of the AGDB data set. These data were checked for accuracy regarding sample location, sample media type, and analytical methods used. This arduous process of reviewing, verifying and, where necessary, editing all USGS geochemical data resulted in a significantly improved Alaska geochemical dataset. USGS data that were not previously in the NGDB because the data predate the earliest USGS geochemical databases, or were once excluded for programmatic reasons

  14. Alkali-crown ether complexes at metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Thontasen, Nicha; Deng, Zhitao; Rauschenbach, Stephan [Max Planck Institute for Solid State Research, Stuttgart (Germany); Levita, Giacomo [University of Trieste, Trieste (Italy); Malinowski, Nikola [Max Planck Institute for Solid State Research, Stuttgart (Germany); Bulgarian Academy of Sciences, Sofia (Bulgaria); Kern, Klaus [Max Planck Institute for Solid State Research, Stuttgart (Germany); EPFL, Lausanne (Switzerland)

    2010-07-01

    Crown ethers are polycyclic ethers which, in solution, selectively bind cations depending on the size of the ring cavity. The study of a single host-guest complex is highly desirable in order to reveal the characteristics of these specific interactions at the atomic scale. Such detailed investigation is possible at the surface where high resolution imaging tools like scanning tunneling microscopy (STM) can be applied. Here, electrospray ion beam deposition (ES-IBD) is employed for the deposition of Dibenzo-24-crown-8 (DB24C8)-H{sup +}, -Na{sup +} and -Cs{sup +} complexes on a solid surface in ultrahigh vacuum (UHV). Where other deposition techniques have not been successful, this deposition technique combines the advantages of solution based preparation of the complex ions with a highly clean and controlled deposition in UHV. Single molecular structures and the cation-binding of DB24C8 at the surface are studied in situ by STM and MALDI-MS (matrix assisted laser desorption ionization mass spectrometry). The internal structure of the complex, i.e. ring and cavity, is observable only when alkali cations are incorporated. The BD24C8-H{sup +} complex in contrast appears as a compact feature. This result is in good agreement with theoretical models based on density functional theory calculations.

  15. TAPIR--Finnish national geochemical baseline database.

    Science.gov (United States)

    Jarva, Jaana; Tarvainen, Timo; Reinikainen, Jussi; Eklund, Mikael

    2010-09-15

    In Finland, a Government Decree on the Assessment of Soil Contamination and Remediation Needs has generated a need for reliable and readily accessible data on geochemical baseline concentrations in Finnish soils. According to the Decree, baseline concentrations, referring both to the natural geological background concentrations and the diffuse anthropogenic input of substances, shall be taken into account in the soil contamination assessment process. This baseline information is provided in a national geochemical baseline database, TAPIR, that is publicly available via the Internet. Geochemical provinces with elevated baseline concentrations were delineated to provide regional geochemical baseline values. The nationwide geochemical datasets were used to divide Finland into geochemical provinces. Several metals (Co, Cr, Cu, Ni, V, and Zn) showed anomalous concentrations in seven regions that were defined as metal provinces. Arsenic did not follow a similar distribution to any other elements, and four arsenic provinces were separately determined. Nationwide geochemical datasets were not available for some other important elements such as Cd and Pb. Although these elements are included in the TAPIR system, their distribution does not necessarily follow the ones pre-defined for metal and arsenic provinces. Regional geochemical baseline values, presented as upper limit of geochemical variation within the region, can be used as trigger values to assess potential soil contamination. Baseline values have also been used to determine upper and lower guideline values that must be taken into account as a tool in basic risk assessment. If regional geochemical baseline values are available, the national guideline values prescribed in the Decree based on ecological risks can be modified accordingly. The national geochemical baseline database provides scientifically sound, easily accessible and generally accepted information on the baseline values, and it can be used in various

  16. GEOCHEMICAL CONTROLS ON NUCLEAR MAGNETIC RESONANCE MEASUREMENTS

    International Nuclear Information System (INIS)

    Knight, Rosemary

    2008-01-01

    Proton nuclear magnetic resonance (NMR) is used in the Earth Sciences as a means of obtaining information about the molecular-scale environment of fluids in porous geological materials. Laboratory experiments were conducted to advance our fundamental understanding of the link between the NMR response and the geochemical properties of geological materials. In the first part of this research project, we studied the impact of both the surface-area-to-volume ratio (S/V) of the pore space and the surface relaxivity on the NMR response of fluids in sand-clay mixtures. This study highlighted the way in which these two parameters control our ability to use NMR measurements to detect and quantify fluid saturation in multiphase saturated systems. The second part of the project was designed to explore the way in which the mineralogic form of iron, as opposed to simply the concentration of iron, affects the surface relaxation rate and, more generally, the NMR response of porous materials. We found that the magnitude of the surface relaxation rate was different for the various iron-oxide minerals because of changes in both the surface-area-to-volume ratio of the pore space, and the surface relaxivity. Of particular significance from this study was the finding of an anomalously large surface relaxivity of magnetite compared to that of the other iron minerals. Differences in the NMR response of iron minerals were seen in column experiments during the reaction of ferrihydrite-coated quartz sand with aqueous Fe(II) solutions to form goethite, lepidocrocite and magnetite; indicating the potential use of NMR as a means of monitoring geochemical reactions. The final part of the research project investigated the impact of heterogeneity, at the pore-scale, on the NMR response. This work highlighted the way in which the geochemistry, by controlling the surface relaxivity, has a significant impact on the link between NMR data and the microgeometry of the pore space.

  17. Geochemical investigations at Maxey Flats radioactive waste disposal site

    International Nuclear Information System (INIS)

    Dayal, R.; Pietrzak, R.F.; Clinton, J.

    1984-09-01

    As part of the NRC efforts to develop a data base on source term characteristics for low level wastes, Brookhaven National Laboratory (BNL) has produced and analyzed a large amount of data on trench leachate chemistry at existing shallow land burial sites. In this report, we present the results of our investigations at the Maxey Flats, Kentucky disposal site. In particular, data on trench leachate chemistry are reviewed and discussed in terms of mechanisms and processes controlling the composition of trench solutes. Particular emphasis is placed on identifying both intra- and extra-trench factors and processes contributing to source term characteristics, modifications, and uncertainties. BNL research on the Maxey Flats disposal site has provided important information not only on the source term characteristics and the factors contributing to uncertainties in the source term but also some generic insights into such geochemical processes and controls as the mechanics of leachate formation, microbial degradation and development of anoxia, organic complexation and radionuclide mobility, redox inversion and modification of the source term, solubility constraints on solute chemistry, mineral authigenesis, corrosion products and radionuclide scavenging, and the role of organic complexants in geochemical partitioning of radionuclides. A knowledge of such processes and controls affecting the geochemical cycling of radionuclides as well as an understanding of the important factors that contribute to variability and uncertainties in the source term is essential for evaluating the performance of waste package and the site, making valid predictions of release for dose calculations, and for planning site performance monitoring as well as remedial actions. 43 references, 47 figures, 30 tables

  18. The geochemical profile of Mn, Co, Cu and Fe in Kerteh Mangrove Forest, Terengganu

    International Nuclear Information System (INIS)

    Kamaruzzaman, B.Y.; Antotina, A.; Airiza, Z.; Syalindran, S.; Ong, M.C.

    2007-01-01

    The geochemical profile of Kerteh mangrove sediments was analyzed for the vertical and horizontal distribution. The 100 cm core sediment sample and 15 surface sediments samples were taken from the field. The geochemical elements of Mn, Co, Cu and Fe of the sediments were analyzed. Geochemical proxy of Mn, Co, Cu and Fe were analyzed by using Inductively Coupled Plasma-Mass Spectrometry (ICP-MS). The mean concentrations of Mn, Co, Cu and Fe for the vertical distribution were 210.18 μg/ g, 15.55 μg/ g, 43.65 μg/ g and 1.88 μg/ g respectively. on the other hand, the mean concentrations of the geochemical elements for horizontal distributions were 230.50 μg/ g for Mn, 17.57 μg/ g for Co, 43.381 μg/ g for Cu and 2.93 μg/ g for Fe. Enrichment factor and normalization was used to point out the level of pollution. The EF and the normalization indicated that all the geochemical elements were from the natural sources. (author)

  19. Geochemical mapping in polluted floodplains using handheld XRF, geophysical imaging, and geostatistics

    Science.gov (United States)

    Hošek, Michal; Matys Grygar, Tomáš; Popelka, Jan; Kiss, Timea; Elznicová, Jitka; Faměra, Martin

    2017-04-01

    In the recent years researchers have enjoyed noticeable improvements of portable analytical and geophysical methods, which allow studying floodplain architecture and deciphering pollutant distribution more easily than ever before. Our area of interest was floodplain of the Ploučnice River, particularly a pollution hotspot in Boreček, severely impacted by U mining between the 1970s and late 1980s, in particular a "radioactive flood" in 1981. In the area, we used hand drill coring and in situ (field) analysis of so acquired sediments by handheld X-ray fluorescence spectrometer (XRF), which gave us information about depth profiles of pollutants (Ba, U, Zn) and the Al/Si and Zr/Rb ratios, i.e., proxies for sediment lithology. We found that spatial distribution of pollutants (control by depth and position in the floodplain) is apparently complex and discontinuous. In some places, contamination is buried by a couple decimetres of less polluted sediments, while in other places the peak pollution is near surface, apparently without a straightforward connection with the surface topography and the distance to the river channel. We thus examined the floodplain architecture, the internal structure of the floodplain using two geophysical methods. First of them, dipole electromagnetic profiling (DEMP, also denoted EMP, MP, or Slingram) quickly acquires average electric resistivity in top strata in selected areas, which was actually top 3 m with our particular instrument. Second, electric resistivity tomography (ERT) produces much more detailed information on resistivity with depth resolution of ca 0.5 m to the depth of ca 5 m in selected lines. ERT thus allows identifying boundaries of electric resistivity domains (sediment bodies) and DEMP their spatial distribution. Based on the obtained data, we divided the floodplain to five segments with specific topography, pollution characteristics, and electric resistivity. We suppose that those segments are lithogenetic floodplain

  20. Surface-complexation models for sorption onto heterogeneous surfaces

    International Nuclear Information System (INIS)

    Harvey, K.B.

    1997-10-01

    This report provides a description of the discrete-logK spectrum model, together with a description of its derivation, and of its place in the larger context of surface-complexation modelling. The tools necessary to apply the discrete-logK spectrum model are discussed, and background information appropriate to this discussion is supplied as appendices. (author)

  1. MODELING MONOMETHYLMERCURY AND TRIBUTYLTIN SPECIATION WITH EPA'S GEOCHEMICAL SPECIATION MODEL MINTEQA2

    Science.gov (United States)

    Given the complexity of the various, simultaneous (and competing) equilibrium reactions governing the speciation of ionic species in aquatic systems, EPA has developed and distributed the geochemical speciation model MINTEQA2 (Brown and Allison, 1987, Allison et al., 1991; Hydrog...

  2. Compact complex surfaces with geometric structures related to split quaternions

    International Nuclear Information System (INIS)

    Davidov, Johann; Grantcharov, Gueo; Mushkarov, Oleg; Yotov, Miroslav

    2012-01-01

    We study the problem of existence of geometric structures on compact complex surfaces that are related to split quaternions. These structures, called para-hypercomplex, para-hyperhermitian and para-hyperkähler, are analogs of the hypercomplex, hyperhermitian and hyperkähler structures in the definite case. We show that a compact 4-manifold carries a para-hyperkähler structure iff it has a metric of split signature together with two parallel, null, orthogonal, pointwise linearly independent vector fields. Every compact complex surface admitting a para-hyperhermitian structure has vanishing first Chern class and we show that, unlike the definite case, many of these surfaces carry infinite-dimensional families of such structures. We provide also compact examples of complex surfaces with para-hyperhermitian structures which are not locally conformally para-hyperkähler. Finally, we discuss the problem of non-existence of para-hyperhermitian structures on Inoue surfaces of type S 0 and provide a list of compact complex surfaces which could carry para-hypercomplex structures.

  3. Application of cluster analysis to geochemical compositional data for identifying ore-related geochemical anomalies

    Science.gov (United States)

    Zhou, Shuguang; Zhou, Kefa; Wang, Jinlin; Yang, Genfang; Wang, Shanshan

    2017-12-01

    Cluster analysis is a well-known technique that is used to analyze various types of data. In this study, cluster analysis is applied to geochemical data that describe 1444 stream sediment samples collected in northwestern Xinjiang with a sample spacing of approximately 2 km. Three algorithms (the hierarchical, k-means, and fuzzy c-means algorithms) and six data transformation methods (the z-score standardization, ZST; the logarithmic transformation, LT; the additive log-ratio transformation, ALT; the centered log-ratio transformation, CLT; the isometric log-ratio transformation, ILT; and no transformation, NT) are compared in terms of their effects on the cluster analysis of the geochemical compositional data. The study shows that, on the one hand, the ZST does not affect the results of column- or variable-based (R-type) cluster analysis, whereas the other methods, including the LT, the ALT, and the CLT, have substantial effects on the results. On the other hand, the results of the row- or observation-based (Q-type) cluster analysis obtained from the geochemical data after applying NT and the ZST are relatively poor. However, we derive some improved results from the geochemical data after applying the CLT, the ILT, the LT, and the ALT. Moreover, the k-means and fuzzy c-means clustering algorithms are more reliable than the hierarchical algorithm when they are used to cluster the geochemical data. We apply cluster analysis to the geochemical data to explore for Au deposits within the study area, and we obtain a good correlation between the results retrieved by combining the CLT or the ILT with the k-means or fuzzy c-means algorithms and the potential zones of Au mineralization. Therefore, we suggest that the combination of the CLT or the ILT with the k-means or fuzzy c-means algorithms is an effective tool to identify potential zones of mineralization from geochemical data.

  4. Development of thermodynamic databases and geochemical/transport models for prediction of long-term radionuclide migration (Germany)

    International Nuclear Information System (INIS)

    Kienzler, B.

    2000-01-01

    The isolation capacity of a repository system for radionuclides is described by geochemical modeling. The models for interpretation of experimental findings and for long-term extrapolation of experimental results are based on thermodynamic approaches. The geochemical models include dissolution reactions of waste forms, the evolution of the geochemical milieu, interactions of radionuclides with constituents of the groundwater (brines) and the precipitation of new solid phases. Reliable thermodynamic data, understanding of radionuclide complexation in aqueous multi-electrolyte solutions at the relevant ionic strength and knowledge on the formation of pure and mixed solids and on sorption processes are urgently needed for such model calculations. (author)

  5. Geochemical characteristics and origin of the Lebowa Granite Suite, Bushveld Complex

    Science.gov (United States)

    Hill, M.; Barker, F.; Hunter, D.; Knight, R.

    1996-01-01

    The ??? 2052-Ma Lebowa Granite Suite (LGS) represents the culminating phase of an Early Proterozoic magmatic cycle in the Central Transvaal area of the Kaapvaal Province. Following extrusion of at least 200,000 km3 of intermediate to acid volcanics (Rooiberg Felsite), mafic and ultramafic magmas intruded at 2065 Ma to form the Rustenburg Layered Suite (RLS). The LGS includes the Nebo, Makhutso, Bobbejaankop, Lease, and Klipkloof granites. The Nebo Granite intruded the Rooiberg Felsite as sheets up to 4 km thick above the RLS. Smaller stocks of the other granites crosscut the Nebo. We determined major- and trace-element compositions and oxygen, Rb-Sr, and Sm-Nd isotope ratios for samples of: Nebo Granite; Rooiberg Felsite; granophyre and granophyric granite; Makhutso, Bobbejaankop, and Lease granites; and feldspar porphyry from areas throughout the exposed area of the LGS (Dennilton, Verena Balmoral, Enkeldoorn, Sekhukhune Plateau, Zaaiplaats-Potgeitersrus, and Western Transvaal). Coherent floor-to-roof geochemical trends exist in some areas, although it is not possible to model them convincingly. Regional variations in geochemistry exist and likely are related to source variations in the estimated 200,000 km3 of the Nebo Granite sheets. ??18O for the LGS range from +5.9??? to +9.5???; if these are approximate primary magmatic values, pelitic sediments cannot have been an important source for the LGS. The Rb-Sr isotope system has been altered, a finding consistent with previous studies. A mineral isochron for Nebo Granite near Dennilton yields a York regression age of 1995 ?? 99 Ma, with initial 143Nd/144Nd = 0.50978??8 and ???CHUR=-5.12. Samples from the Sekhukhune Plateau have higher 143Nd/144Nd ratios than do Dennilton-area samples, suggesting that the former originated from older or less LREE-enriched sources. We suggest that intrusion of mafic to ultramafic magmas at depth in the continental crust triggered melting of Archean quartzofeldspathic crystalline

  6. New Route to Synthesize Surface Organometallic Complexes (SOMC): An Approach by Alkylating Halogenated Surface Organometallic Fragments

    KAUST Repository

    Hamieh, Ali Imad Ali

    2017-01-01

    The aim of this thesis is to explore new simpler and efficient routes for the preparation of surface organometallic complexes (SOMC) for the transformation of small organic molecules to valuable products. The key element in this new route relies on surface alkylation of various halogenated surface coordination complexes or organometallic fragments (SOMF).

  7. New Route to Synthesize Surface Organometallic Complexes (SOMC): An Approach by Alkylating Halogenated Surface Organometallic Fragments

    KAUST Repository

    Hamieh, Ali Imad

    2017-02-01

    The aim of this thesis is to explore new simpler and efficient routes for the preparation of surface organometallic complexes (SOMC) for the transformation of small organic molecules to valuable products. The key element in this new route relies on surface alkylation of various halogenated surface coordination complexes or organometallic fragments (SOMF).

  8. A preliminary report of geochemical investigations in the Blackbird District

    Science.gov (United States)

    Canney, F.C.; Hawkes, H.E.; Richmond, G.M.; Vhay, J. S.

    1953-01-01

    This paper reviews an experimental geochemical prospecting survey in the Blackbird cobalt-copper mining district. The district is in east-central Idaho, about 20 miles west-southwest of Salmon. The area is one of deeply weathered nearly flat-topped upland surfaces cut by steep-walled valleys which are tributary to the canyon of Panther Creek. Most of the area has a relatively heavy vegetative cover, and outcrops are scarce except on the sides of the steeper valleys* Because of the importance of the surficial deposits and soils and the physiographic history of the region on the interpretation of the geochemical data, a separate chapter on this subject by Gerald H. Richmond follows the following brief description of the geology of the district.

  9. Uranium(VI) sorption onto magnetite. Increasing confidence in surface complexation models using chemically evident surface chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Bok, Frank [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Surface Processes

    2017-06-01

    Surface complexation models have made great efforts in describing the sorption of various radionuclides on naturally occurring mineral phases. Unfortunately, many of the published sorption parameter sets are built upon unrealistic or even wrong surface chemistry. This work describes the benefit of combining spectroscopic and batch sorption experimental data to create a reliable and consistent surface complexation parameter set.

  10. Geochemical soil sampling for deeply-buried mineralized breccia pipes, northwestern Arizona

    Science.gov (United States)

    Wenrich, K.J.; Aumente-Modreski, R. M.

    1994-01-01

    Thousands of solution-collapse breccia pipes crop out in the canyons and on the plateaus of northwestern Arizona; some host high-grade uranium deposits. The mineralized pipes are enriched in Ag, As, Ba, Co, Cu, Mo, Ni, Pb, Sb, Se, V and Zn. These breccia pipes formed as sedimentary strata collapsed into solution caverns within the underlying Mississippian Redwall Limestone. A typical pipe is approximately 100 m (300 ft) in diameter and extends upward from the Redwall Limestone as much as 1000 m (3000 ft). Unmineralized gypsum and limestone collapses rooted in the Lower Permian Kaibab Limestone or Toroweap Formation also occur throughout this area. Hence, development of geochemical tools that can distinguish these unmineralized collapse structures, as well as unmineralized breccia pipes, from mineralized breccia pipes could significantly reduce drilling costs for these orebodies commonly buried 300-360 m (1000-1200 ft) below the plateau surface. Design and interpretation of soil sampling surveys over breccia pipes are plagued with several complications. (1) The plateau-capping Kaibab Limestone and Moenkopi Formation are made up of diverse lithologies. Thus, because different breccia pipes are capped by different lithologies, each pipe needs to be treated as a separate geochemical survey with its own background samples. (2) Ascertaining true background is difficult because of uncertainties in locations of poorly-exposed collapse cones and ring fracture zones that surround the pipes. Soil geochemical surveys were completed on 50 collapse structures, three of which are known mineralized breccia pipes. Each collapse structure was treated as an independent geochemical survey. Geochemical data from each collapse feature were plotted on single-element geochemical maps and processed by multivariate factor analysis. To contrast the results between geochemical surveys (collapse structures), a means of quantifying the anomalousness of elements at each site was developed. This

  11. Landscape and bio- geochemical strategy for monitoring transformation and reclamation of the soil mining sites

    Science.gov (United States)

    Korobova, Elena

    2010-05-01

    Sites of active or abandoned mining represent areas of considerable technogenic impact and need scientifically ground organization of their monitoring and reclamation. The strategy of monitoring and reclamation depends on the scale and character of the physical, chemical and biological consequences of the disturbances. The geochemical studies for monitoring and rehabilitation of the career-dump complexes should methodically account of formation of the particular new landforms and the changes in circulation of the remobilized elements of the soil cover. However, the general strategy should account of both the initial and transformed landscape geochemical structure of the area with due regard to the natural and new content of chemical elements in the environmental components. For example the tailings and waste rocks present new geochemical fields with specifically different concentration of chemical elements that cause formation of new geochemical barriers and landscapes. The way of colonization of the newly formed landscapes depends upon the new geochemical features of the technogenic environment and the adaptive ability of local and intrusive flora. The newly formed biogeochemical anomalies need organization of permanent monitoring not only within the anomaly itself but also of its impact zones. Spatial landscape geochemical monitoring combined with bio-geochemical criteria of threshold concentrations seems to be a helpful tool for decision making on reclamation and operation of the soil mining sites to provide a long-term ecologically sustainable development of the impact zone as a whole.

  12. Geochemical Exploration Techniques Applicable in the Search for Copper Deposits

    Science.gov (United States)

    Chaffee, Maurice A.

    1975-01-01

    media. Samples of ice and snow have been used for limited geochemical surveys. Both geobotanical and biogeochemical surveys have been successful in locating copper deposits in many parts of the world. Micro-organisms, including bacteria and algae, are other unproved media that should be studied. Animals can be used in geochemical-prospecting programs. Dogs have been used quite successfully to sniff out hidden and exposed sulfide minerals. Tennite mounds are commonly composed of subsurface material, but have not as yet proved to be useful in locating buried mineral deposits. Animal tissue and waste products are essentially unproved but potentially valuable sampling media. Knowledge of the location of areas where trace-element-associated diseases in animals and man are endemic as well as a better understanding of these diseases, may aid in identifying regions that are enriched in or depleted of various elements, including copper. Results of analyses of gases in the atmosphere are proving valuable in mineral-exploration surveys. Studies involving metallic compounds exhaled by plants into the atmosphere, and of particulate matter suspended in the atmosphere are reviewed these methods may become important in the future. Remote-sensing techniques are useful for making indirect measurements of geochemical responses. Two techniques applicable to geochemical exploration are neutron-activation analysis and gamma-ray spectrometry. Aerial photography is especially useful in vegetation surveys. Radar imagery is an unproved but potentially valuable method for use in studies of vegetation in perpetually clouded regions. With the advent of modern computers, many new techniques, such as correlation analysis, regression analysis, discriminant analysis, factor analysis, cluster analysis, trend-surface analysis, and moving-average analysis can be applied to geochemical data sets. Selective use of these techniques can provide new insights into the interpretatio

  13. Solving complex and disordered surface structures with electron diffraction

    International Nuclear Information System (INIS)

    Van Hove, M.A.

    1987-10-01

    The past of surface structure determination with low-energy electron diffraction (LEED) will be briefly reviewed, setting the stage for a discussion of recent and future developments. The aim of these developments is to solve complex and disordered surface structures. Some efficient solutions to the theoretical and experimental problems will be presented. Since the theoretical problems dominate, the emphasis will be on theoretical approaches to the calculation of the multiple scattering of electrons through complex and disordered surfaces. 49 refs., 13 figs., 1 tab

  14. Characterization of surface complexes in enhanced Raman scattering

    International Nuclear Information System (INIS)

    Roy, D.; Furtak, T.E.

    1984-01-01

    An indicator molecule, para-nitrosodimethylanaline (p-NDMA), has been used to study the chemical nature of surface complexes involving the active site for SERS in the electrochemical environment. We present evidence for positively charged Ag atoms stabilized by coadsorbed Cl - ions as the primary sites which are produced during the oxidation reduction cycle treatment of an Ag electrode. Depending on the relative number of Cl - ions which influence the Ag site the active site demonstrates a greater or lesser electron accepting character toward p-NDMA. This character is influenced by the applied voltage and by the presence of Tl + ions in the bulk of the solution near the surface. As in previously studied systems p-NDMA/Cl - /Ag complexes demonstrate charge transfer excitation which in this case is from the p-NDMA to the Ag site. These results further solidify the importance of complex formation in electrochemical SERS and suggest that caution should be applied when using SERS as a quantitative measure of surface coverage

  15. An integrated geophysical and geochemical exploration of critical zone weathering on opposing montane hillslope

    Science.gov (United States)

    Singha, K.; Navarre-Sitchler, A.; Bandler, A.; Pommer, R. E.; Novitsky, C. G.; Holbrook, S.; Moore, J.

    2017-12-01

    Quantifying coupled geochemical and hydrological properties and processes that operate in the critical zone is key to predicting rock weathering and subsequent transmission and storage of water in the shallow subsurface. Geophysical data have the potential to elucidate geochemical and hydrologic processes across landscapes over large spatial scales that are difficult to achieve with point measurements alone. Here, we explore the connections between weathering and fracturing, as measured from integrated geochemical and geophysical borehole data and seismic velocities on north- and south-facing aspects within one watershed in the Boulder Creek Critical Zone Observatory. We drilled eight boreholes up to 13 m deep on north- and south-facing aspects within Upper Gordon Gulch, and surface seismic refraction data were collected near these wells to explore depths of regolith and bedrock, as well as anisotropic characteristics of the subsurface material due to fracturing. Optical televiewer data were collected in these wells to infer the dominant direction of fracturing and fracture density in the near surface to corroborate with the seismic data. Geochemical samples were collected from four of these wells and a series of shallow soil pits for bulk chemistry, clay fraction, and exchangeable cation concentrations to identify depths of chemically altered saprolite. Seismic data show that depth to unweathered bedrock, as defined by p-wave seismic velocity, is slightly thicker on the north-facing slopes. Geochemical data suggest that the depth to the base of saprolite ranges from 3-5 m, consistent with a p-wave velocity value of 1200 m/s. Based on magnitude and anisotropy of p-wave velocities together with optical televiewer data, regolith on north-facing slopes is thought to be more fractured than south-facing slopes, while geochemical data indicate that position on the landscape is another important characteristic in determining depths of weathering. We explore the importance

  16. Geochemical evolution of groundwater in the Mud Lake area, eastern Idaho, USA

    Science.gov (United States)

    Rattray, Gordon W.

    2015-01-01

    Groundwater with elevated dissolved-solids concentrations—containing large concentrations of chloride, sodium, sulfate, and calcium—is present in the Mud Lake area of Eastern Idaho. The source of these solutes is unknown; however, an understanding of the geochemical sources and processes controlling their presence in groundwater in the Mud Lake area is needed to better understand the geochemical sources and processes controlling the water quality of groundwater at the Idaho National Laboratory. The geochemical sources and processes controlling the water quality of groundwater in the Mud Lake area were determined by investigating the geology, hydrology, land use, and groundwater geochemistry in the Mud Lake area, proposing sources for solutes, and testing the proposed sources through geochemical modeling with PHREEQC. Modeling indicated that sources of water to the eastern Snake River Plain aquifer were groundwater from the Beaverhead Mountains and the Camas Creek drainage basin; surface water from Medicine Lodge and Camas Creeks, Mud Lake, and irrigation water; and upward flow of geothermal water from beneath the aquifer. Mixing of groundwater with surface water or other groundwater occurred throughout the aquifer. Carbonate reactions, silicate weathering, and dissolution of evaporite minerals and fertilizer explain most of the changes in chemistry in the aquifer. Redox reactions, cation exchange, and evaporation were locally important. The source of large concentrations of chloride, sodium, sulfate, and calcium was evaporite deposits in the unsaturated zone associated with Pleistocene Lake Terreton. Large amounts of chloride, sodium, sulfate, and calcium are added to groundwater from irrigation water infiltrating through lake bed sediments containing evaporite deposits and the resultant dissolution of gypsum, halite, sylvite, and bischofite.

  17. Proceedings of the workshop on geochemical modeling

    International Nuclear Information System (INIS)

    1986-01-01

    The following collection of papers was presented at a workshop on geochemical modeling that was sponsored by the Office of Civilian Radioactive Waste Management Program at the Lawrence Livermore National Laboratory (LLNL). The LLNL Waste Management Program sponsored this conference based on their belief that geochemical modeling is particularly important to the radioactive waste disposal project because of the need to predict the consequences of long-term water-rock interactions at the proposed repository site. The papers included in this volume represent a subset of the papers presented at the Fallen Leaf Lake Conference and cover a broad spectrum of detail and breadth in a subject that reflects the diverse research interests of the conference participants. These papers provide an insightful look into the current status of geochemical modeling and illustrate how various geochemical modeling codes have been applied to problems of geochemical interest. The emphasis of these papers includes traditional geochemical modeling studies of individual geochemical systems, the mathematical and theoretical development and refinement of new modeling capabilities, and enhancements of data bases on which the computations are based. The papers in this proceedings volume have been organized into the following four areas: Geochemical Model Development, Hydrothermal and Geothermal Systems, Sedimentary and Low Temperature Environments, and Data Base Development. The participants of this symposium and a complete list of the talks presented are listed in the appendices

  18. Proceedings of the workshop on geochemical modeling

    Energy Technology Data Exchange (ETDEWEB)

    1986-01-01

    The following collection of papers was presented at a workshop on geochemical modeling that was sponsored by the Office of Civilian Radioactive Waste Management Program at the Lawrence Livermore National Laboratory (LLNL). The LLNL Waste Management Program sponsored this conference based on their belief that geochemical modeling is particularly important to the radioactive waste disposal project because of the need to predict the consequences of long-term water-rock interactions at the proposed repository site. The papers included in this volume represent a subset of the papers presented at the Fallen Leaf Lake Conference and cover a broad spectrum of detail and breadth in a subject that reflects the diverse research interests of the conference participants. These papers provide an insightful look into the current status of geochemical modeling and illustrate how various geochemical modeling codes have been applied to problems of geochemical interest. The emphasis of these papers includes traditional geochemical modeling studies of individual geochemical systems, the mathematical and theoretical development and refinement of new modeling capabilities, and enhancements of data bases on which the computations are based. The papers in this proceedings volume have been organized into the following four areas: Geochemical Model Development, Hydrothermal and Geothermal Systems, Sedimentary and Low Temperature Environments, and Data Base Development. The participants of this symposium and a complete list of the talks presented are listed in the appendices.

  19. A geostatistical method applied to the geochemical study of the Chichinautzin Volcanic Field in Mexico

    Science.gov (United States)

    Robidoux, P.; Roberge, J.; Urbina Oviedo, C. A.

    2011-12-01

    The origin of magmatism and the role of the subducted Coco's Plate in the Chichinautzin volcanic field (CVF), Mexico is still a subject of debate. It has been established that mafic magmas of alkali type (subduction) and calc-alkali type (OIB) are produced in the CVF and both groups cannot be related by simple fractional crystallization. Therefore, many geochemical studies have been done, and many models have been proposed. The main goal of the work present here is to provide a new tool for the visualization and interpretation of geochemical data using geostatistics and geospatial analysis techniques. It contains a complete geodatabase built from referred samples over the 2500 km2 area of CVF and its neighbour stratovolcanoes (Popocatepetl, Iztaccihuatl and Nevado de Toluca). From this database, map of different geochemical markers were done to visualise geochemical signature in a geographical manner, to test the statistic distribution with a cartographic technique and highlight any spatial correlations. The distribution and regionalization of the geochemical signatures can be viewed in a two-dimensional space using a specific spatial analysis tools from a Geographic Information System (GIS). The model of spatial distribution is tested with Linear Decrease (LD) and Inverse Distance Weight (IDW) interpolation technique because they best represent the geostatistical characteristics of the geodatabase. We found that ratio of Ba/Nb, Nb/Ta, Th/Nb show first order tendency, which means visible spatial variation over a large scale area. Monogenetic volcanoes in the center of the CVF have distinct values compare to those of the Popocatepetl-Iztaccihuatl polygenetic complex which are spatially well defined. Inside the Valley of Mexico, a large quantity of monogenetic cone in the eastern portion of CVF has ratios similar to the Iztaccihuatl and Popocatepetl complex. Other ratios like alkalis vs SiO2, V/Ti, La/Yb, Zr/Y show different spatial tendencies. In that case, second

  20. Lead Isotopes in Olivine-Phyric Shergottite Tissint: Implications for the Geochemical Evolution of the Shergottite Source Mantle

    Science.gov (United States)

    Moriwaki, R.; Usui, T.; Simon, J. I.; Jones, J. H.; Yokoyama, T.

    2015-01-01

    Geochemically-depleted shergottites are basaltic rocks derived from a martian mantle source reservoir. Geochemical evolution of the martian mantle has been investigated mainly based on the Rb-Sr, Sm-Nd, and Lu-Hf isotope systematics of the shergottites [1]. Although potentially informative, U-Th- Pb isotope systematics have been limited because of difficulties in interpreting the analyses of depleted meteorite samples that are more susceptible to the effects of near-surface processes and terrestrial contamination. This study conducts a 5-step sequential acid leaching experiment of the first witnessed fall of the geochemically-depleted olivinephyric shergottite Tissint to minimize the effect of low temperature distrubence. Trace element analyses of the Tissint acid residue (mostly pyroxene) indicate that Pb isotope compositions of the residue do not contain either a martian surface or terrestrial component, but represent the Tissint magma source [2]. The residue has relatively unradiogenic initial Pb isotopic compositions (e.g., 206Pb/204Pb = 10.8136) that fall within the Pb isotope space of other geochemically-depleted shergottites. An initial µ-value (238U/204Pb = 1.5) of Tissint at the time of crystallization (472 Ma [3]) is similar to a time-integrated mu- value (1.72 at 472 Ma) of the Tissint source mantle calculated based on the two-stage mantle evolution model [1]. On the other hand, the other geochemically-depleted shergottites (e.g., QUE 94201 [4]) have initial µ-values of their parental magmas distinctly lower than those of their modeled source mantle. These results suggest that only Tissint potentially reflects the geochemical signature of the shergottite mantle source that originated from cumulates of the martian magma ocean

  1. Surface complexation modeling of zinc sorption onto ferrihydrite.

    Science.gov (United States)

    Dyer, James A; Trivedi, Paras; Scrivner, Noel C; Sparks, Donald L

    2004-02-01

    A previous study involving lead(II) [Pb(II)] sorption onto ferrihydrite over a wide range of conditions highlighted the advantages of combining molecular- and macroscopic-scale investigations with surface complexation modeling to predict Pb(II) speciation and partitioning in aqueous systems. In this work, an extensive collection of new macroscopic and spectroscopic data was used to assess the ability of the modified triple-layer model (TLM) to predict single-solute zinc(II) [Zn(II)] sorption onto 2-line ferrihydrite in NaNO(3) solutions as a function of pH, ionic strength, and concentration. Regression of constant-pH isotherm data, together with potentiometric titration and pH edge data, was a much more rigorous test of the modified TLM than fitting pH edge data alone. When coupled with valuable input from spectroscopic analyses, good fits of the isotherm data were obtained with a one-species, one-Zn-sorption-site model using the bidentate-mononuclear surface complex, (triple bond FeO)(2)Zn; however, surprisingly, both the density of Zn(II) sorption sites and the value of the best-fit equilibrium "constant" for the bidentate-mononuclear complex had to be adjusted with pH to adequately fit the isotherm data. Although spectroscopy provided some evidence for multinuclear surface complex formation at surface loadings approaching site saturation at pH >/=6.5, the assumption of a bidentate-mononuclear surface complex provided acceptable fits of the sorption data over the entire range of conditions studied. Regressing edge data in the absence of isotherm and spectroscopic data resulted in a fair number of surface-species/site-type combinations that provided acceptable fits of the edge data, but unacceptable fits of the isotherm data. A linear relationship between logK((triple bond FeO)2Zn) and pH was found, given by logK((triple bond FeO)2Znat1g/l)=2.058 (pH)-6.131. In addition, a surface activity coefficient term was introduced to the model to reduce the ionic strength

  2. Remote Raman - laser induced breakdown spectroscopy (LIBS) geochemical investigation under Venus atmospheric conditions

    Energy Technology Data Exchange (ETDEWEB)

    Clegg, Sanuel M [Los Alamos National Laboratory; Barefield, James E [Los Alamos National Laboratory; Humphries, Seth D [Los Alamos National Laboratory; Wiens, Roger C [Los Alamos National Laboratory; Vaniman, D. T. [Los Alamos National Laboratory; Sharma, S. K. [UNIV OF HAWAII; Misra, A. K. [UNIV OF HAWAII; Dyar, M. D. [MT. HOLYOKE COLLEGE; Smrekar, S. E. [JET PROPULSION LAB.

    2010-12-13

    The extreme Venus surface temperatures ({approx}740 K) and atmospheric pressures ({approx}93 atm) create a challenging environment for surface missions. Scientific investigations capable of Venus geochemical observations must be completed within hours of landing before the lander will be overcome by the harsh atmosphere. A combined remote Raman - LIBS (Laser Induced Breakdown Spectroscopy) instrument is capable of accomplishing the geochemical science goals without the risks associated with collecting samples and bringing them into the lander. Wiens et al. and Sharma et al. demonstrated that both analytical techniques can be integrated into a single instrument capable of planetary missions. The focus of this paper is to explore the capability to probe geologic samples with Raman - LIBS and demonstrate quantitative analysis under Venus surface conditions. Raman and LIBS are highly complementary analytical techniques capable of detecting both the mineralogical and geochemical composition of Venus surface materials. These techniques have the potential to profoundly increase our knowledge of the Venus surface composition, which is currently limited to geochemical data from Soviet Venera and VEGA landers that collectively suggest a surface composition that is primarily tholeiitic basaltic with some potentially more evolved compositions and, in some locations, K-rich trachyandesite. These landers were not equipped to probe the surface mineralogy as can be accomplished with Raman spectroscopy. Based on the observed compositional differences and recognizing the imprecise nature of the existing data, 15 samples were chosen to constitute a Venus-analog suite for this study, including five basalts, two each of andesites, dacites, and sulfates, and single samples of a foidite, trachyandesite, rhyolite, and basaltic trachyandesite under Venus conditions. LIBS data reduction involved generating a partial least squares (PLS) model with a subset of the rock powder standards to

  3. Uranium exploration data and global geochemical baselines: The need for co-ordinated action

    International Nuclear Information System (INIS)

    Darnley, A.G.

    1997-01-01

    Public concern about environmental problems continues. In order to assess the magnitude of potential problems it is necessary to have comprehensive information. The absence of quantitative geochemical data to map the surface composition of the earth is one of the major information gaps in present day environmental science. An IAEA Technical Committee meeting held in November 1993 reviewed the uses of uranium exploration data for environmental purposes. Most attention was focussed on data involving radiation measurements. Uranium exploration programmes conducted since 1970 in many countries collected a considerable amount of geochemical survey data, providing information about the distribution of non-radioactive elements in the natural environment. Canada is one of several countries where such data provided the foundation for national geochemical mapping; other countries could benefit from similar actions. Increasing importance is being attached by governments to the need to enact effective environmental legislation concerning ''safe levels'' of many chemical substances. Such legislation requires geochemical variations in the natural environment. It is becoming necessary to make quantitative comparisons of element abundances across national boundaries, and from continent to continent. In 1995 the IAEA, with other organizations, supported UNESCO to publish a report concerned with the establishment of a Global Geochemical Reference Network. This is designed to provide a framework to connect all types of geochemical survey, to move towards international compatibility of data. The report contains recommendations relating to the standardization of field and laboratory methods; the use of the most sensitive analytical techniques; and standardization of data management. Ground and airborne gamma ray spectrometry, and nuclear laboratory techniques are all discussed. Following the publication of the report, the International Union of Geological Sciences has now established a

  4. A Geochemical Reaction Model for Titration of Contaminated Soil and Groundwater at the Oak Ridge Reservation

    Science.gov (United States)

    Zhang, F.; Parker, J. C.; Gu, B.; Luo, W.; Brooks, S. C.; Spalding, B. P.; Jardine, P. M.; Watson, D. B.

    2007-12-01

    This study investigates geochemical reactions during titration of contaminated soil and groundwater at the Oak Ridge Reservation in eastern Tennessee. The soils and groundwater exhibits low pH and high concentrations of aluminum, calcium, magnesium, manganese, various trace metals such as nickel and cobalt, and radionuclides such as uranium and technetium. The mobility of many of the contaminant species diminishes with increasing pH. However, base additions to increase pH are strongly buffered by various precipitation/dissolution and adsorption/desorption reactions. The ability to predict acid-base behavior and associated geochemical effects is thus critical to evaluate remediation performance of pH manipulation strategies. This study was undertaken to develop a practical but generally applicable geochemical model to predict aqueous and solid-phase speciation during soil and groundwater titration. To model titration in the presence of aquifer solids, an approach proposed by Spalding and Spalding (2001) was utilized, which treats aquifer solids as a polyprotic acid. Previous studies have shown that Fe and Al-oxyhydroxides strongly sorb dissolved Ni, U and Tc species. In this study, since the total Fe concentration is much smaller than that of Al, only ion exchange reactions associated with Al hydroxides are considered. An equilibrium reaction model that includes aqueous complexation, precipitation, ion exchange, and soil buffering reactions was developed and implemented in the code HydroGeoChem 5.0 (HGC5). Comparison of model results with experimental titration curves for contaminated groundwater alone and for soil- water systems indicated close agreement. This study is expected to facilitate field-scale modeling of geochemical processes under conditions with highly variable pH to develop practical methods to control contaminant mobility at geochemically complex sites.

  5. Geochemical computer codes. A review

    International Nuclear Information System (INIS)

    Andersson, K.

    1987-01-01

    In this report a review of available codes is performed and some code intercomparisons are also discussed. The number of codes treating natural waters (groundwater, lake water, sea water) is large. Most geochemical computer codes treat equilibrium conditions, although some codes with kinetic capability are available. A geochemical equilibrium model consists of a computer code, solving a set of equations by some numerical method and a data base, consisting of thermodynamic data required for the calculations. There are some codes which treat coupled geochemical and transport modeling. Some of these codes solve the equilibrium and transport equations simultaneously while other solve the equations separately from each other. The coupled codes require a large computer capacity and have thus as yet limited use. Three code intercomparisons have been found in literature. It may be concluded that there are many codes available for geochemical calculations but most of them require a user that us quite familiar with the code. The user also has to know the geochemical system in order to judge the reliability of the results. A high quality data base is necessary to obtain a reliable result. The best results may be expected for the major species of natural waters. For more complicated problems, including trace elements, precipitation/dissolution, adsorption, etc., the results seem to be less reliable. (With 44 refs.) (author)

  6. Effect of source integration on the geochemical fluxes from springs

    International Nuclear Information System (INIS)

    Frisbee, Marty D.; Phillips, Fred M.; White, Art F.; Campbell, Andrew R.; Liu, Fengjing

    2013-01-01

    Geochemical fluxes from watersheds are typically defined using mass-balance methods that essentially lump all weathering processes operative in a watershed into a single flux of solute mass measured in streamflow at the watershed outlet. However, it is important that we understand how weathering processes in different hydrological zones of a watershed (i.e., surface, unsaturated, and saturated zones) contribute to the total geochemical flux from the watershed. This capability will improve understanding of how geochemical fluxes from these different zones may change in response to climate change. Here, the geochemical flux from weathering processes occurring solely in the saturated zone is investigated. This task, however, remains exceedingly difficult due to the sparsity of subsurface sampling points, especially in large, remote, and/or undeveloped watersheds. In such cases, springflow is often assumed to be a proxy for groundwater (defined as water residing in fully saturated geologic formations). However, springflow generation may integrate different sources of water including, but not limited to, groundwater. The authors’ hypothesis is that long-term estimates of geochemical fluxes from groundwater using springflow proxies will be too large due to the integrative nature of springflow generation. Two conceptual models of springflow generation are tested using endmember mixing analyses (EMMA) on observations of spring chemistries and stable isotopic compositions in a large alpine watershed in the San Juan Mountains of southwestern Colorado. In the “total springflow” conceptual model, springflow is assumed to be 100% groundwater. In the “fractional springflow” conceptual model, springflow is assumed to be an integration of different sources of water (e.g., groundwater, unsaturated flow, preferential flow in the soil, etc.) and groundwater is only a fractional component. The results indicate that groundwater contributions in springflow range from 2% to 100

  7. Geochemical behavior of uranium mill tailings leachate in the subsurface

    International Nuclear Information System (INIS)

    Brookins, D.G.

    1993-01-01

    Leachate generated from surface disposal of acidic uranium mill tailings at Maybell, CO has impacted groundwater quality within the underlying mineralized Browns Park Formation. The extent of groundwater contamination, however, is located directly beneath the tailings impoundment. The milling process consisted of sulfuric acid extraction of uranium from the feed ore by a complex chemical leaching and precipitation process. Tailings leachate at the site contains elevated concentrations of Al, As, Cd, Mo, Ni, NO 3 , Se, U, and other solutes. From column leach tests, the concentrations of contaminants within tailings pore fluid are SO 4 >NH 4 >NO 3 >U>Se>Ni>As>Cd at pH 4.0. The carbonate buffering capacity of the tailings subsoil has decreased because of calcite dissolution in the presence of acidic leachate. Groundwater quality data, mineralogical and microbiological studies, and geochemical modeling suggest that As, NO 3 , Se, U and other solutes are being removed from solution through precipitation, adsorption, and denitrification processes under reducing conditions. Presence of hydrogen sulfide, liquid and gaseous hydrocarbons, dissolved organic, and abundant pyrite within the Browns Park Formations have maintained reducing conditions subjacent to the tailings impoundment. Groundwater is in close equilibrium with coffinite and uraninite, the primary U(IV) minerals extracted from the Browns Parks Formation. Denitrifying bacteria identified in this study catalyze redox reactions involving NO 3 . Subsequently, contaminant distributions of NO 3 decrease 1000 times beneath the tailings impoundment. Applying geochemical and biochemical processes occurring at Maybell provides an excellent model for in situ aquifer restoration programs considered at other uranium tailings and heavy-metal-mixed waste contaminated sites. (author) 4 figs., 4 tabs., 27 refs

  8. PhreeqcRM: A reaction module for transport simulators based on the geochemical model PHREEQC

    Science.gov (United States)

    Parkhurst, David L.; Wissmeier, Laurin

    2015-01-01

    PhreeqcRM is a geochemical reaction module designed specifically to perform equilibrium and kinetic reaction calculations for reactive transport simulators that use an operator-splitting approach. The basic function of the reaction module is to take component concentrations from the model cells of the transport simulator, run geochemical reactions, and return updated component concentrations to the transport simulator. If multicomponent diffusion is modeled (e.g., Nernst–Planck equation), then aqueous species concentrations can be used instead of component concentrations. The reaction capabilities are a complete implementation of the reaction capabilities of PHREEQC. In each cell, the reaction module maintains the composition of all of the reactants, which may include minerals, exchangers, surface complexers, gas phases, solid solutions, and user-defined kinetic reactants.PhreeqcRM assigns initial and boundary conditions for model cells based on standard PHREEQC input definitions (files or strings) of chemical compositions of solutions and reactants. Additional PhreeqcRM capabilities include methods to eliminate reaction calculations for inactive parts of a model domain, transfer concentrations and other model properties, and retrieve selected results. The module demonstrates good scalability for parallel processing by using multiprocessing with MPI (message passing interface) on distributed memory systems, and limited scalability using multithreading with OpenMP on shared memory systems. PhreeqcRM is written in C++, but interfaces allow methods to be called from C or Fortran. By using the PhreeqcRM reaction module, an existing multicomponent transport simulator can be extended to simulate a wide range of geochemical reactions. Results of the implementation of PhreeqcRM as the reaction engine for transport simulators PHAST and FEFLOW are shown by using an analytical solution and the reactive transport benchmark of MoMaS.

  9. Novel Geochemical Techniques Integrated In Exploration for Uranium Deposits at Depth

    International Nuclear Information System (INIS)

    Kyser, Kurt

    2014-01-01

    Recent results in the use of geochemistry in detecting deep uranium deposits: (1) Map element distributions in and around deposits to assess the total chemical environment associated with the deposit, (2) Use element tracing with isotopic compositions in surface media to detect specific components from uranium deposits at depth, (3) Capitalize on element mobility across the geosphere-biosphere interface to enhance exploration using select media, (4) Geochemical data from drill core or surface media can enhance target identification when integrated with geophysical data.

  10. Geochemical prospecting for uranium and thorium deposits

    International Nuclear Information System (INIS)

    Boyle, R.W.

    1980-01-01

    A brief review of analytical geochemical prospecting methods for uranium and thorium is given excluding radiometric techniques, except those utilized in the determination of radon. The indicator (pathfinder) elements useful in geochemical surveys are listed for each of the types of known uranium and thorium deposits; this is followed by sections on analytical geochemical surveys based on rocks (lithochemical surveys), unconsolidated materials (pedochemical surveys), natural waters and sediments (hydrochemical surveys), biological materials (biogeochemical surveys) and gases (atmochemical surveys). All of the analytical geochemical methods are applicable in prospecting for thorium and uranium, particularly where radiometric methods fail due to attenuation by overburden, water, deep leaching and so on. Efficiency in the discovery of uranium and/or thorium orebodies is promoted by an integrated methods approach employing geological pattern recognition in the localization of deposits, analytical geochemical surveys, and radiometric surveys. (author)

  11. In situ geochemical properties of clays subject to thermal loading

    International Nuclear Information System (INIS)

    Chapman, N.A.

    1980-01-01

    Compositional variation and geochemical environment in an argillaceous unit are a function of age, depth of burial and mode of origin. This paper considers the variation limits likely to be encountered in potential repository host rocks and examines the significance of factors such as porosity, pore-fluid pressure, total fluid content, and major and accessory mineral component behaviors in controlling the geochemical environment in the neighbourhood of a thermally active waste canister. Particular attention is paid to the use of Eh-pH diagrams in assessing corrosion environments and nuclide speciation. The paper outlines the variables which must be considered when endeavouring to interpret such plots (e.g. temperature, concentration, concurrent reactions and probabilities) and uses the behavior of various iron minerals found in clay deposits under specific conditions to illustrate the complexities. The overall thermal stability of various clay and accessory minerals is discussed and extended to attempt to predict behavior under deep repository conditions, using available data on the diagenetic characteristics of clay-rich sediments. The physical behavior of fluids in plastic clays is considered and methods evaluated for deriving induced geochemical conditions in a thermally active repository. The latter section is particularly related to canister corrosion studies, in situ experiments, and waste dissolution parameters

  12. Geochemical signature of land-based activities in Caribbean coral surface samples

    Science.gov (United States)

    Prouty, N.G.; Hughen, K.A.; Carilli, J.

    2008-01-01

    Anthropogenic threats, such as increased sedimentation, agrochemical run-off, coastal development, tourism, and overfishing, are of great concern to the Mesoamerican Caribbean Reef System (MACR). Trace metals in corals can be used to quantify and monitor the impact of these land-based activities. Surface coral samples from the MACR were investigated for trace metal signatures resulting from relative differences in water quality. Samples were analyzed at three spatial scales (colony, reef, and regional) as part of a hierarchical multi-scale survey. A primary goal of the paper is to elucidate the extrapolation of information between fine-scale variation at the colony or reef scale and broad-scale patterns at the regional scale. Of the 18 metals measured, five yielded statistical differences at the colony and/or reef scale, suggesting fine-scale spatial heterogeneity not conducive to regional interpretation. Five metals yielded a statistical difference at the regional scale with an absence of a statistical difference at either the colony or reef scale. These metals are barium (Ba), manganese (Mn), chromium (Cr), copper (Cu), and antimony (Sb). The most robust geochemical indicators of land-based activities are coral Ba and Mn concentrations, which are elevated in samples from the southern region of the Gulf of Honduras relative to those from the Turneffe Islands. These findings are consistent with the occurrence of the most significant watersheds in the MACR from southern Belize to Honduras, which contribute sediment-laden freshwater to the coastal zone primarily as a result of human alteration to the landscape (e.g., deforestation and agricultural practices). Elevated levels of Cu and Sb were found in samples from Honduras and may be linked to industrial shipping activities where copper-antimony additives are commonly used in antifouling paints. Results from this study strongly demonstrate the impact of terrestrial runoff and anthropogenic activities on coastal water

  13. Coupling between a geochemical model and a transport model of dissolved elements

    International Nuclear Information System (INIS)

    Jacquier, P.

    1988-10-01

    In order to assess the safety analysis of an underground repository, the transport of radioelements in groundwater and their interactions with the geological medium are modelled. The objective of this work is the setting up and experimental validation of the coupling of a geochemical model with a transport model of dissolved elements. A laboratory experiment was developed at the CEA center of Cadarache. Flow-through experiments were carried out on columns filled with crushed limestone, where several inflow conditions were taken into account as the temperature, the presence of a pollutant (strontium chloride) at different concentrations. The results consist of the evolution of the chemical composition of the water at the outlet of the column. The final aim of the study is to explain these results with a coupled model where geochemical and transport phenomena are modelled in a two-step procedure. This code, called STELE, was built by introducing a geochemical code, CHIMERE, into an existing transport code, METIS. At this stage, the code CHIMERE can take into account: any chemical reaction in aqueous phase (complexation, acid-base reaction, redox equilibrium), dissolution-precipitation of minerals and solid phases, dissolution-degassing of gas. The paper intends to describe the whole process leading to the coupling which can be forecasted over the next years between geochemical and transport models

  14. Photoelectrochemical etching of gallium nitride surface by complexation dissolution mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Miao-Rong [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, 215123 Suzhou (China); University of Chinese Academy of Sciences, 100049 Beijing (China); Hou, Fei; Wang, Zu-Gang; Zhang, Shao-Hui [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, 215123 Suzhou (China); Changchun University of Science and Technology, 130022 Changchun (China); Pan, Ge-Bo, E-mail: gbpan2008@sinano.ac.cn [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, 215123 Suzhou (China)

    2017-07-15

    Graphical abstract: GaN surface was etched by 0.3 M EDTA-2Na. The proposed complexation dissolution mechanism can be applicable to almost all neutral etchants under the prerequisite of strong light and electric field. - Highlights: • GaN surface was etched by EDTA-2Na. • GaN may be dissolved into EDTA-2Na by forming Ga–EDTA complex. • We propose the complexation dissolution mechanism for the first time. - Abstract: Gallium nitride (GaN) surface was etched by 0.3 M ethylenediamine tetraacetic acid disodium (EDTA-2Na) via photoelectrochemical etching technique. SEM images reveal the etched GaN surface becomes rough and irregular. The pore density is up to 1.9 × 10{sup 9} per square centimeter after simple acid post-treatment. The difference of XPS spectra of Ga 3d, N 1s and O 1s between the non-etched and freshly etched GaN surfaces can be attributed to the formation of Ga–EDTA complex at the etching interface between GaN and EDTA-2Na. The proposed complexation dissolution mechanism can be broadly applicable to almost all neutral etchants under the prerequisite of strong light and electric field. From the point of view of environment, safety and energy, EDTA-2Na has obvious advantages over conventionally corrosive etchants. Moreover, as the further and deeper study of such nearly neutral etchants, GaN etching technology has better application prospect in photoelectric micro-device fabrication.

  15. Uranium(VI) sorption on iron oxides in Hanford Site sediment: Application of a surface complexation model

    International Nuclear Information System (INIS)

    Um, Wooyong; Serne, R. Jeffrey; Brown, Christopher F.; Rod, Kenton A.

    2008-01-01

    Sorption of U(VI) on Hanford fine sand (HFS) with varying Fe-oxide (especially ferrihydrite) contents showed that U(VI) sorption increased with the incremental addition of synthetic ferrihydrite into HFS, consistent with ferrihydrite being one of the most reactive U(VI) sorbents present in natural sediments. Surface complexation model (SCM) calculations for U(VI) sorption, using only U(VI) surface-reaction constants obtained from U(VI) sorption data on freshly synthesized ferrihydrite at different pHs, were similar to the measured U(VI) sorption results on pure synthetic ferrihydrite and on HFS with high contents of ferrihydrite (5 wt%) added. However, the SCM prediction using only U(VI) sorption reactions and constants for synthetic ferrihydrite overestimated U(VI) sorption on the natural HFS or HFS with addition of low amounts of added ferrihydrite (1 wt% added). Over-predicted U(VI) sorption was attributed to reduced reactivity of natural ferrihydrite present in Hanford Site sediments, compared to freshly prepared synthetic ferrihydrite. Even though the SCM general composite (GC) approach is considered to be a semi-quantitative estimation technique for contaminant sorption, which requires systematic experimental data on the sorbent-sorbate system being studied to obtain credible SCM parameters, the general composite SCM model was still found to be a useful technique for describing U(VI) sorption on natural sediments. Based on U(VI) batch sorption results, two simple U(VI) monodentate surface species, SO U O 2 HCO 3 and SO U O 2 OH on ferrihydrite and phyllosillicate in HFS, respectively, can be successfully used to describe U(VI) sorption onto Hanford Site sediment contacting varying geochemical solutions

  16. Research on geochemical exploration in geotherm development

    International Nuclear Information System (INIS)

    Hirowatari, Kazuo; Imaizumi, Yukio; Koga, Akito; Iwanaga, Tatsuto.

    1987-01-01

    The decisive factor of geotherm development is to improve the exploration techniques. By effectively carrying out the selection of promising development spots and the decision of well drilling positions, the geotherm development exceeding existing energy sources becomes feasible. There have been many problems in conventional geotherm exploration such as the high cost and long work period, therefore, it was decided to advance the research on geochemical exploration techniques which are relatively simple and can be carried out with low cost. When the techniques of geochemistry are used, for example, in the case that there are hot springs or fumaroles, the temperature, origin, properties and so on of underground hot water reservoirs can be estimated from their chemical composition. The method of examining the mercury concentration in soil and soil air has been in practical use in the geothermal districts where the ground surface symptom lacks. This time, the method of investigation using radon, thoron and gamma ray as the exploration indices was newly studied. The index compositions for geochemical exploration, new exploration index compositions, the method of measurement, the basic investigation and on-the-spot investigation are reported. (Kako, I.)

  17. Establishing geochemical background levels of selected trace elements in areas having geochemical anomalies: The case study of the Orbetello lagoon (Tuscany, Italy)

    International Nuclear Information System (INIS)

    Romano, Elena; Bergamin, Luisa; Croudace, Ian W.; Ausili, Antonella; Maggi, Chiara; Gabellini, Massimo

    2015-01-01

    The determination of background concentration values (BGVs) in areas, characterised by the presence of natural geochemical anomalies and anthropogenic impact, appears essential for a correct pollution assessment. For this purpose, it is necessary to establish a reliable method for determination of local BGVs. The case of the Orbetello lagoon, a geologically complex area characterized by Tertiary volcanism, is illustrated. The vertical concentration profiles of As, Cd, Cr, Cu, Hg, Ni, Pb and Zn were studied in four sediment cores. Local BGVs were determined considering exclusively samples not affected by anthropogenic influence, recognized by means of multivariate statistics and radiochronological dating ( 137 Cs and 210 Pb). Results showed BGVs well-comparable with mean crustal or shale values for most of the considered elements except for Hg (0.87 mg/kg d.w.) and As (16.87 mg/kg d.w.), due to mineralization present in the catchment basin draining into the lagoon. - Highlights: • Pollution assessment in areas with geochemical anomalies needs local reference values. • A new method for the determination of background values (BGV) was established. • Geochemical data from unpolluted samples of sediment cores were used. • Statistics and geochronology were applied to recognize unpolluted sediments. • Anthropogenically influenced samples were not considered for BGV determination. - A method including multivariate statistics and radiochronological dating is proposed for determining local background values for trace elements using analytical data form sediment cores

  18. Appliance of geochemical engineering in radioactive waste disposal

    International Nuclear Information System (INIS)

    Li Shuang; Zhang Chengjiang; Ni Shijun; Li Kuanliang

    2008-01-01

    The basic foundation of applying geochemical engineering to control environment, common engineering models of disposal radioactive waste and the functions of the engineering barriers are introduced in this paper. The authors take the geochemical engineering barrier materiel research of a radioactive waste repository as an example to explain the appliance of geochemical engineering in the disposal of radioactive waste. And the results show that it can enhance the security of the nuclear waste repository if we use geochemical engineering barrier. (authors)

  19. Geochemical characteristics of oil sands fluid petroleum coke

    International Nuclear Information System (INIS)

    Nesbitt, Jake A.; Lindsay, Matthew B.J.; Chen, Ning

    2017-01-01

    The geochemical characteristics of fluid petroleum coke from the Athabasca Oil Sands Region (AOSR) of northern Alberta, Canada were investigated. Continuous core samples were collected to 8 m below surface at several locations (n = 12) from three coke deposits at an active oil sands mine. Bulk elemental analyses revealed the coke composition was dominated by C (84.2 ± 2.3 wt%) and S (6.99 ± 0.26 wt%). Silicon (9210 ± 3000 mg kg"−"1), Al (5980 ± 1200 mg kg"−"1), Fe (4760 ± 1200 mg kg"−"1), and Ti (1380 ± 430 mg kg"−"1) were present in lesser amounts. Vanadium (1280 ± 120 mg kg"−"1) and Ni (230 ± 80 mg kg"−"1) exhibited the highest concentrations among potentially-hazardous minor and trace elements. Sequential extractions revealed potential for release of these metals under field-relevant conditions. Synchrotron powder X-ray diffraction revealed the presence of Si and Ti oxides, organically-complexed V and hydrated Ni sulfate, and provided information about the asphaltenic carbon matrix. X-ray absorption near edge structure (XANES) spectroscopy at the V and Ni K-edges revealed that these metals were largely hosted in porphyrins and similar organic complexes throughout coke grains. Minor differences among measured V and Ni K-edge spectra were largely attributed to slight variations in local coordination of V(IV) and Ni(II) within these organic compounds. However, linear combination fits were improved by including reference spectra for inorganic phases with octahedrally-coordinated V(III) and Ni(II). Sulfur and Fe K-edge XANES confirmed that thiophenic coordination and pyritic-ilmenitic coordination are predominant, respectively. These results provide new information on the geochemical and mineralogical composition of oil sands fluid petroleum coke and improve understanding of potential controls on associated water chemistry. - Highlights: • Oil sands fluid petroleum coke contains wide range of major, minor and

  20. Geochemical assessment of light gaseous hydrocarbons in near-surface soils of Kutch-Saurashtra: Implication for hydrocarbon prospects

    Science.gov (United States)

    Rao, P. Lakshmi Srinivasa; Madhavi, T.; Srinu, D.; Kalpana, M. S.; Patil, D. J.; Dayal, A. M.

    2013-02-01

    Light hydrocarbons in soil have been used as direct indicators in geochemical hydrocarbon exploration, which remains an unconventional path in the petroleum industry. The occurrence of adsorbed soil gases, methane and heavier homologues were recorded in the near-surface soil samples collected from Kutch-Saurashtra, India. Soil gas alkanes were interpreted to be derived from deep-seated hydrocarbon sources and have migrated to the surface through structural discontinuities. The source of hydrocarbons is assessed to be thermogenic and could have been primarily derived from humic organic matter with partial contribution from sapropelic matter. Gas chromatographic analyses of hydrocarbons desorbed from soil samples through acid extraction technique showed the presence of methane through n-butane and the observed concentrations (in ppb) vary from: methane (C1) from 4-291, ethane (C2) from 0-84, propane (C3) from 0-37, i-butane (iC4) from 0-5 and n-butane (nC4) from 0-4. Carbon isotopes measured for methane and ethane by GC-C-IRMS, range between -42.9‰ to -13.3‰ (Pee Dee Belemnite - PDB) and -21.2‰ to -12.4‰ (PDB), respectively. The increased occurrence of hydrocarbons in the areas near Anjar of Kutch and the area south to Rajkot of Saurashtra signifies the area potential for oil and gas.

  1. Surface reaction of SnII on goethite (α-FeOOH): surface complexation, redox reaction, reductive dissolution, and phase transformation.

    Science.gov (United States)

    Dulnee, Siriwan; Scheinost, Andreas C

    2014-08-19

    To elucidate the potential risk of (126)Sn migration from nuclear waste repositories, we investigated the surface reactions of Sn(II) on goethite as a function of pH and Sn(II) loading under anoxic condition with O2 level redox state and surface structure were investigated by Sn K edge X-ray absorption spectroscopy (XAS), goethite phase transformations were investigated by high-resolution transmission electron microscopy and selected area electron diffraction. The results demonstrate the rapid and complete oxidation of Sn(II) by goethite and formation of Sn(IV) (1)E and (2)C surface complexes. The contribution of (2)C complexes increases with Sn loading. The Sn(II) oxidation leads to a quantitative release of Fe(II) from goethite at low pH, and to the precipitation of magnetite at higher pH. To predict Sn sorption, we applied surface complexation modeling using the charge distribution multisite complexation approach and the XAS-derived surface complexes. Log K values of 15.5 ± 1.4 for the (1)E complex and 19.2 ± 0.6 for the (2)C complex consistently predict Sn sorption across pH 2-12 and for two different Sn loadings and confirm the strong retention of Sn(II) even under anoxic conditions.

  2. Geochemical Implications of CO2 Leakage Associated with Geologic Storage: A Review

    Energy Technology Data Exchange (ETDEWEB)

    Harvey, Omar R.; Qafoku, Nikolla; Cantrell, Kirk J.; Brown, Christopher F.

    2012-07-09

    Leakage from deep storage reservoirs is a major risk factor associated with geologic sequestration of carbon dioxide (CO2). Different scientific theories exist concerning the potential implications of such leakage for near-surface environments. The authors of this report reviewed the current literature on how CO2 leakage (from storage reservoirs) would likely impact the geochemistry of near surface environments such as potable water aquifers and the vadose zone. Experimental and modeling studies highlighted the potential for both beneficial (e.g., CO2 re sequestration or contaminant immobilization) and deleterious (e.g., contaminant mobilization) consequences of CO2 intrusion in these systems. Current knowledge gaps, including the role of CO2-induced changes in redox conditions, the influence of CO2 influx rate, gas composition, organic matter content and microorganisms are discussed in terms of their potential influence on pertinent geochemical processes and the potential for beneficial or deleterious outcomes. Geochemical modeling was used to systematically highlight why closing these knowledge gaps are pivotal. A framework for studying and assessing consequences associated with each factor is also presented in Section 5.6.

  3. Methodological approaches in estimating anomalous geochemical field structure

    International Nuclear Information System (INIS)

    Gavrilov, R; Rudmin, M

    2015-01-01

    Mathematical statistic methods were applied to analyze the core samples from vertical expendable wells in Chertovo Koryto gold ore field. The following methods were used to analyse gold in samples: assay tests and atomic absorption method (AAS), while emission spectrum semiquantative method was applied to identify traces. The analysis of geochemical association distribution in one central profile demonstrated that bulk metasomatic aureoles are characteristic of concentric zonal structure. The distribution of geochemical associations is correlated to the hydrothermal stages of mineral formation identified in this deposit. It was proved that the processed geochemical data by factor and cluster analyses provided additional information on the anomalous geochemical field structure in gold- bearing black-shale strata. Such methods are effective tools in interpretating specific features of geochemical field structures in analogous potential ore-bearing areas

  4. Mineral and Geochemical Classification From Spectroscopy/Diffraction Through Neural Networks

    Science.gov (United States)

    Ferralis, N.; Grossman, J.; Summons, R. E.

    2017-12-01

    Spectroscopy and diffraction techniques are essential for understanding structural, chemical and functional properties of geological materials for Earth and Planetary Sciences. Beyond data collection, quantitative insight relies on experimentally assembled, or computationally derived spectra. Inference on the geochemical or geophysical properties (such as crystallographic order, chemical functionality, elemental composition, etc.) of a particular geological material (mineral, organic matter, etc.) is based on fitting unknown spectra and comparing the fit with consolidated databases. The complexity of fitting highly convoluted spectra, often limits the ability to infer geochemical characteristics, and limits the throughput for extensive datasets. With the emergence of heuristic approaches to pattern recognitions though machine learning, in this work we investigate the possibility and potential of using supervised neural networks trained on available public spectroscopic database to directly infer geochemical parameters from unknown spectra. Using Raman, infrared spectroscopy and powder x-ray diffraction from the publicly available RRUFF database, we train neural network models to classify mineral and organic compounds (pure or mixtures) based on crystallographic structure from diffraction, chemical functionality, elemental composition and bonding from spectroscopy. As expected, the accuracy of the inference is strongly dependent on the quality and extent of the training data. We will identify a series of requirements and guidelines for the training dataset needed to achieve consistent high accuracy inference, along with methods to compensate for limited of data.

  5. Symplectic geometry on moduli spaces of holomorphic bundles over complex surfaces

    OpenAIRE

    Khesin, Boris; Rosly, Alexei

    2000-01-01

    We give a comparative description of the Poisson structures on the moduli spaces of flat connections on real surfaces and holomorphic Poisson structures on the moduli spaces of holomorphic bundles on complex surfaces. The symplectic leaves of the latter are classified by restrictions of the bundles to certain divisors. This can be regarded as fixing a "complex analogue of the holonomy" of a connection along a "complex analogue of the boundary" in analogy with the real case.

  6. Modeling of geochemical processes in the submarine discharge zone of hydrothermal solutions

    Directory of Open Access Journals (Sweden)

    С. М. Судариков

    2017-06-01

    Full Text Available The paper reviews the main methods and analyzes modeling results for geochemical processes in the submarine discharge zone of hydrothermal solutions of mid-ocean ridges. Initial data for modeling have been obtained during several marine expeditions, including Russian-French expedition SERPENTINE on the research vessel «Pourquoi Рas?» (2007. Results of field observations, laboratory experiments and theoretical developments are supported by the analysis of regression model of mixing between hydrothermal solutions and sea water. Verification of the model has been carried out and the quality of chemical analysis has been assessed; degree and character of participation of solution components in the hydrothermal process have been defined; the content of end members has been calculated basing on reverse forecasting of element concentration, depending on regression character; data for thermodynamic modeling have been prepared. Regression model of acid-base properties and chloridity of mineralizing thermal springs confirms adequacy of the model of double-diffusive convection for forming the composition of hydrothermal solutions.  Differentiation of solutions according to concentrations of chloride-ion, depending on temperature and pH indicator within this model, is associated with phase conversions and mixing of fluids from two convection cells, one of which is a zone of brine circulation. In order to carry out computer thermodynamic modeling, hydro-geochemical and physicochemical models of hydrothermal discharge zone have been created. Verification of the model has been carried out basing on changes of Mn concentration in the hydrothermal plume. Prevailing forms of Mn migration in the plume are Mn2+, MnCl+, MnCl2. Two zones have been identified in the geochemical structure of the plume: 1 high-temperature zone (350-100 °С with prevalence of chloride complexes – ascending plume; 2 low-temperature zone (100-2 °С, where predominant form of

  7. Geochemical speciation and pollution assessment of heavy metals in surface sediments from Nansi Lake, China.

    Science.gov (United States)

    Yang, Liyuan; Wang, Longfeng; Wang, Yunqian; Zhang, Wei

    2015-05-01

    Sixteen surface sediment samples were collected from Nansi Lake to analyze geochemical speciation of heavy metals including Cd, As, Pb, Cr, and Zn, assess their pollution level, and determine the spatial distribution of the non-residual fraction. Results showed that Cd had higher concentrations in water-soluble and exchangeable fractions. As and Pb were mainly observed as humic acid and reducible fractions among the non-residual fractions, while Cr and Zn were mostly locked up in a residual fraction. The mean pollution index (P i) values revealed that the lower lake generally had a higher enrichment degree than the upper lake. Cd (2.73) and As (2.05) were in moderate level of pollution, while the pollution of Pb (1.80), Cr (1.27), and Zn (1.02) appeared at low-level pollution. The calculated pollution load index (PLI) suggested the upper lake suffered from borderline moderate pollution, while the lower lake showed moderate to heavy pollution. Spatial principle component analysis showed that the first principal component (PC1) including Cd, As, and Pb could explain 56.18 % of the non-residual fraction. High values of PC1 were observed mostly in the southern part of Weishan Lake, which indicated greater bioavailability and toxicity of Cd, As, and Pb in this area.

  8. Geochemical modeling: a review

    International Nuclear Information System (INIS)

    Jenne, E.A.

    1981-06-01

    Two general families of geochemical models presently exist. The ion speciation-solubility group of geochemical models contain submodels to first calculate a distribution of aqueous species and to secondly test the hypothesis that the water is near equilibrium with particular solid phases. These models may or may not calculate the adsorption of dissolved constituents and simulate the dissolution and precipitation (mass transfer) of solid phases. Another family of geochemical models, the reaction path models, simulates the stepwise precipitation of solid phases as a result of reacting specified amounts of water and rock. Reaction path models first perform an aqueous speciation of the dissolved constituents of the water, test solubility hypotheses, then perform the reaction path modeling. Certain improvements in the present versions of these models would enhance their value and usefulness to applications in nuclear-waste isolation, etc. Mass-transfer calculations of limited extent are certainly within the capabilities of state-of-the-art models. However, the reaction path models require an expansion of their thermodynamic data bases and systematic validation before they are generally accepted

  9. Geochemical modeling: a review

    Energy Technology Data Exchange (ETDEWEB)

    Jenne, E.A.

    1981-06-01

    Two general families of geochemical models presently exist. The ion speciation-solubility group of geochemical models contain submodels to first calculate a distribution of aqueous species and to secondly test the hypothesis that the water is near equilibrium with particular solid phases. These models may or may not calculate the adsorption of dissolved constituents and simulate the dissolution and precipitation (mass transfer) of solid phases. Another family of geochemical models, the reaction path models, simulates the stepwise precipitation of solid phases as a result of reacting specified amounts of water and rock. Reaction path models first perform an aqueous speciation of the dissolved constituents of the water, test solubility hypotheses, then perform the reaction path modeling. Certain improvements in the present versions of these models would enhance their value and usefulness to applications in nuclear-waste isolation, etc. Mass-transfer calculations of limited extent are certainly within the capabilities of state-of-the-art models. However, the reaction path models require an expansion of their thermodynamic data bases and systematic validation before they are generally accepted.

  10. NOAA and MMS Marine Minerals Geochemical Database

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Marine Minerals Geochemical Database was created by NGDC as a part of a project to construct a comprehensive computerized bibliography and geochemical database...

  11. Use of partial dissolution techniques in geochemical exploration

    Science.gov (United States)

    Chao, T.T.

    1984-01-01

    Application of partial dissolution techniques to geochemical exploration has advanced from an early empirical approach to an approach based on sound geochemical principles. This advance assures a prominent future position for the use of these techniques in geochemical exploration for concealed mineral deposits. Partial dissolution techniques are classified as single dissolution or sequential multiple dissolution depending on the number of steps taken in the procedure, or as "nonselective" extraction and as "selective" extraction in terms of the relative specificity of the extraction. The choice of dissolution techniques for use in geochemical exploration is dictated by the geology of the area, the type and degree of weathering, and the expected chemical forms of the ore and of the pathfinding elements. Case histories have illustrated many instances where partial dissolution techniques exhibit advantages over conventional methods of chemical analysis used in geochemical exploration. ?? 1984.

  12. Geochemical and mineralogical characteristics of Lithomargic clay

    African Journals Online (AJOL)

    Administrator

    Geochemical and mineralogical characteristics of Lithomargic clay. GEOCHEMICAL AND .... tries, as filling material in the pulp and paper, toothpaste and paint industries as well ..... tions very vital to human health and other ac- tivities of man.

  13. Muscle fatigue and contraction intensity modulates the complexity of surface electromyography.

    Science.gov (United States)

    Cashaback, Joshua G A; Cluff, Tyler; Potvin, Jim R

    2013-02-01

    Nonlinear dynamical techniques offer a powerful approach for the investigation of physiological time series. Multiscale entropy analyses have shown that pathological and aging systems are less complex than healthy systems and this finding has been attributed to degraded physiological control processes. A similar phenomenon may arise during fatiguing muscle contractions where surface electromyography signals undergo temporal and spectral changes that arise from the impaired regulation of muscle force production. Here we examine the affect of fatigue and contraction intensity on the short and long-term complexity of biceps brachii surface electromyography. To investigate, we used an isometric muscle fatigue protocol (parsed into three windows) and three contraction intensities (% of maximal elbow joint moment: 40%, 70% and 100%). We found that fatigue reduced the short-term complexity of biceps brachii activity during the last third of the fatiguing contraction. We also found that the complexity of surface electromyography is dependent on contraction intensity. Our results show that multiscale entropy is sensitive to muscle fatigue and contraction intensity and we argue it is imperative that both factors be considered when evaluating the complexity of surface electromyography signals. Our data contribute to a converging body of evidence showing that multiscale entropy can quantify subtle information content in physiological time series. Copyright © 2012 Elsevier Ltd. All rights reserved.

  14. Sorption properties of bentonite clays towards Pu(IV), U(VI), Np(V) and Cs: experimental and surface complexation study

    Energy Technology Data Exchange (ETDEWEB)

    Sabodina, M.N. [Institute of Physical Chemistry of Russian Academy of Science, Moscow 119192 (Russian Federation); Kalmykov, St.N.; Sapozhnikov, Yu.A. [Radiochemistry div., Chemistry dept., Lomonosov Moscow State University, Moscow 119992, (Russian Federation); Gupalo, T.A.; Beigul, V.P. [VNIPI Promtechnology, Moscow (Russian Federation)

    2005-07-01

    Full text of publication follows: Sorption of radionuclides, their diffusion in bentonite as well as its solubility are the major factors that define bentonite as a geochemical barrier. Sorption of cations by bentonite could be governed by two mechanisms including ion exchange with interlayer cations and formation of surface complexes with either silanol or aluminol groups. The aim of this work was to study mechanisms of {sup 137}Cs, Pu(IV), Np(V) and U(VI) sorption by bentonite and their solubility in bentonite pore waters. Bentonite (Khakassiya deposit) used in the experiments was taken in Na-form and characterized by powder X-ray diffraction, scanning electron microscopy, potentiometric titration. The cation exchange capacities of bentonite at pH=6 were measured by isotopic exchange with {sup 22}Na{sup +} and Cs{sup +} saturation. Sorption experiments were performed in N{sub 2} atmosphere in plastic vials. Bentonite samples were left in the working solutions to swell for few days before sorption experiments were performed. After the desired concentration of radionuclide ({sup 137}Cs, {sup 238}Pu, {sup 239}Pu, {sup 237}Np, {sup 239}Np, {sup 238}U) was added to the suspension, the required pH values are established and samples were left until the equilibrium was reached. Separation of solution after the sorption was performed using micro- and ultrafiltration techniques. The sorption of Pu(IV), U(VI) and Np(V) was highly pH dependent that indicates predominant surface complexation mechanism of sorption. For {sup 137}Cs the pH dependence of sorption was less pronounced and significant decrease of sorption occurs at pH<1.7 that indicate the ion exchange as the major mechanism. The equilibrium constant of Na{sup +}/Cs{sup +} exchange was calculated form sorption isotherms and pH dependence of sorption. It is established using micro- and ultra-filtrations, that sorption of radionuclides onto bentonite nano colloids is essential. Surface complexation modeling exercises

  15. Geochemical behaviour of uranium in the cycle of alteration

    International Nuclear Information System (INIS)

    Chervet, J.; Coulomb, R.

    1958-01-01

    The investigation of the genesis of secondary mineralized accumulations, and the prospecting of deposits from microchemical anomalies in the surface material, is requiring a well-developed knowledge of the geochemical properties of the uranium during the alteration phase. In the present work, the authors tried to track the uranium history during a part of his natural creeping. a) They describe some most typical mineralogical observations of alteration phenomena and material migration, picked up in place on the deposits. b) They give experimental results concerning the solubilities of the uranium minerals and the factors affecting this solubility. c) They study the water circulation in granitic batholites, and the influence of the occurrence of the uranium deposits on their composition. d) They observe the amplitude of phenomena restricting the dispersions: fixations, precipitations, etc., and the behaviour of growth in uraniferous areas. e) Finally, the opposition chemical alteration-radioactive equilibrium results in an important imbalance in altered materials. The authors tried to use the measurement of this imbalance to explain geochemical processes. (author) [fr

  16. Risk evaluation of uranium mining: A geochemical inverse modelling approach

    Science.gov (United States)

    Rillard, J.; Zuddas, P.; Scislewski, A.

    2011-12-01

    It is well known that uranium extraction operations can increase risks linked to radiation exposure. The toxicity of uranium and associated heavy metals is the main environmental concern regarding exploitation and processing of U-ore. In areas where U mining is planned, a careful assessment of toxic and radioactive element concentrations is recommended before the start of mining activities. A background evaluation of harmful elements is important in order to prevent and/or quantify future water contamination resulting from possible migration of toxic metals coming from ore and waste water interaction. Controlled leaching experiments were carried out to investigate processes of ore and waste (leached ore) degradation, using samples from the uranium exploitation site located in Caetité-Bahia, Brazil. In experiments in which the reaction of waste with water was tested, we found that the water had low pH and high levels of sulphates and aluminium. On the other hand, in experiments in which ore was tested, the water had a chemical composition comparable to natural water found in the region of Caetité. On the basis of our experiments, we suggest that waste resulting from sulphuric acid treatment can induce acidification and salinization of surface and ground water. For this reason proper storage of waste is imperative. As a tool to evaluate the risks, a geochemical inverse modelling approach was developed to estimate the water-mineral interaction involving the presence of toxic elements. We used a method earlier described by Scislewski and Zuddas 2010 (Geochim. Cosmochim. Acta 74, 6996-7007) in which the reactive surface area of mineral dissolution can be estimated. We found that the reactive surface area of rock parent minerals is not constant during time but varies according to several orders of magnitude in only two months of interaction. We propose that parent mineral heterogeneity and particularly, neogenic phase formation may explain the observed variation of the

  17. Role of Mineral Deposits in Global Geochemical Cycles

    Science.gov (United States)

    Kesler, S.; Wilkinson, B.

    2009-12-01

    Mineral deposits represent the most extreme degree of natural concentration for most elements and their formation and destruction are important parts of global geochemical cycles. Quantitative estimates of the role that mineral deposits play in these geochemical cycles has been limited, however, by the lack of information on actual amounts of elements that are concentrated in these deposits, and their rates of formation and destruction at geologic time scales. Recent use of a “tectonic diffusion” model for porphyry copper deposits, the most important source of world copper, in conjunction with estimates of their copper content (Kesler and Wilkinson, 2008), allows an assessment of the role of copper deposits in Earth’s global copper cycles. These results indicate that ~4.5*10^8 Gg of Cu have been concentrated in porphyry copper deposits through Phanerozoic time, that deposits containing ~2.8*10^8 Gg of Cu have been removed by uplift and erosion over the same time period, and that deposits containing ~1.7*10^8 Gg remain in Earth’s crust. If styles of formation and destruction of other copper-bearing mineral deposits are similar, then all crustal deposits contain ~3*10^8 Gg of copper. This constitutes about 0.03% of the copper that resides in crustal rocks and provides a first-ever estimate of the rate at which natural geochemical cycles produce the extreme concentrations that constitute mineral deposits. Another ~8*10^8 Gg of copper have been destroyed during the uplift and erosion of mineral deposits over Phanerozoic time, a flux amounting to an annual contribution of about 1.5 Gg of copper to the near-surface environment. This amount is similar in magnitude to copper released by volcanic outgassing, but only ~2.5% of the 56 Gg of copper estimated to be released annually by weathering of average crustal rocks (Rauch and Graedel, 2007). The amount of copper removed from mineral deposits by mining, 1.1*10^4 Gg/year, is much larger than any natural

  18. Proceedings of 13. International Geochemical Exploration Symposium. 2. Brazilian Geochemical Congress

    International Nuclear Information System (INIS)

    1989-01-01

    Some works about geochemistry are presented, including themes about geochemical exploration, lithogeochemistry and isotope geochemistry, environmental geochemistry, analyical geochemistry, geochemistry of carbonatites and rare earth elements and organic geochemistry. (C.G.C.) [pt

  19. The geochemical atlas of Alaska, 2016

    Science.gov (United States)

    Lee, Gregory K.; Yager, Douglas B.; Mauk, Jeffrey L.; Granitto, Matthew; Denning, Paul; Wang, Bronwen; Werdon, Melanie B.

    2016-06-21

    A rich legacy of geochemical data produced since the early 1960s covers the great expanse of Alaska; careful treatment of such data may provide significant and revealing geochemical maps that may be used for landscape geochemistry, mineral resource exploration, and geoenvironmental investigations over large areas. To maximize the spatial density and extent of data coverage for statewide mapping of element distributions, we compiled and integrated analyses of more than 175,000 sediment and soil samples from three major, separate sources: the U.S. Geological Survey, the National Uranium Resource Evaluation program, and the Alaska Division of Geological & Geophysical Surveys geochemical databases. Various types of heterogeneity and deficiencies in these data presented major challenges to our development of coherently integrated datasets for modeling and mapping of element distributions. Researchers from many different organizations and disparate scientific studies collected samples that were analyzed using highly variable methods throughout a time period of more than 50 years, during which many changes in analytical techniques were developed and applied. Despite these challenges, the U.S. Geological Survey has produced a new systematically integrated compilation of sediment and soil geochemical data with an average sample site density of approximately 1 locality per 10 square kilometers (km2) for the entire State of Alaska, although density varies considerably among different areas. From that compilation, we have modeled and mapped the distributions of 68 elements, thus creating an updated geochemical atlas for the State.

  20. Use of environmental isotope techniques in studying surface and groundwaters in the Damascus basin (Al-Ghotta): A case study of geochemical modeling of elements and pollutants transport

    International Nuclear Information System (INIS)

    Kattan, Z.

    2004-09-01

    This work discuses in details the hydrochemical and isotopic characteristics of surface and groundwaters in the Damascus Ghotta basin. In addition, it deals with the chemical and isotopic compositions of rainfall of some surrounding stations (Damascus, Bloudan, Arneh, Al-Kounietra, Izraa, Al-Souweida, Homs and Tartous). The objective of this research was to make new assessment of the available water resources in this basin, together with conducting essays to model geochemically the elements and pollutants transport in the groundwater, by the use of PHREEQM code.(author)

  1. Geochemical prospecting for rare earth elements using termite mound materials

    Science.gov (United States)

    Horiuchi, Yu; Ohno, Tetsuji; Hoshino, Mihoko; Shin, Ki-Cheol; Murakami, Hiroyasu; Tsunematsu, Maiko; Watanabe, Yasushi

    2014-12-01

    The Blockspruit fluorite prospect, located in North West State of the Republic of South Africa, occurs within an actinolite rock zone that was emplaced into the Kenkelbos-type granite of Proterozoic age. There are a large number of termite mounds in the prospect. For geochemical prospecting for rare earth elements (REEs), in total, 200 samples of termite mound material were collected from actinolite rock and granite zones in the prospect. Geochemical analyses of these termite mound materials were conducted by two methods: portable X-ray fluorescence (XRF) spectrometry and inductively coupled plasma-mass spectrometry (ICP-MS). Comparison of the two methods broadly indicates positive correlations of REEs (La, Ce, Pr, Nd, and Y), in particular Y and La having a strong correlation. As the result of modal abundance analyses, the actinolite rock at surface mainly consists of ferro-actinolite (89.89 wt%) and includes xenotime (0.26 wt%) and monazite (0.21 wt%) grains as REE minerals. Termite mound materials from actinolite rock also contain xenotime (0.27 wt%) and monazite (0.41 wt%) grains. In addition, termite mound materials from the actinolite rock zone have high hematite and Fe silicate contents compared to those from granite zone. These relationships suggest that REE minerals in termite mound materials originate form actinolite rock. Geochemical anomaly maps of Y, La, and Fe concentrations drawn based on the result of the portable XRF analyses show that high concentrations of these elements trend from SW to NE which broadly correspond to occurrences of actinolite body. These results indicate that termite mounds are an effective tool for REE geochemical prospection in the study area for both light REEs and Y, but a more detailed survey is required to establish the distribution of the actinolite rock body.

  2. Geochemical and sedimentological signature of catastrophic saltwater inundations (tsunami), New Zealand

    International Nuclear Information System (INIS)

    Chague-Goff, C.; Goff, J.R.

    1999-01-01

    Three tidal marshes in Able Tasman National Par, New Zealand, were studied using geochemical, sedimentological and radiometric dating techniques. Charcoal and plant material samples were taken from one core in each inlet for 14 C analysis. radiocarbon ages were converted to dendrocalibrated years . All samples produced a terrestrial 13 C signal. Near surface samples were date d by measuring 137 Cs. A 1700 year record of catastrophic saltwater inundations (CSI) events (Tsunami) was produced. Up to four such events were identified, with ruptures of one or more of the Wellington, Wairarapa and Alpine Faults being the most likely tsunamigenic source. CSI signatures include: peaks in Fe and/or S, a peak in fines and contemporaneous or delayed peaks in organic content and/or loss on ignition (LOI). Geochemical data in association with grain size analyses proved to be a valuable tool in the interpretation of these events

  3. Geochemical effects on the behavior of LLW radionuclides in soil/groundwater environments

    Energy Technology Data Exchange (ETDEWEB)

    Krupka, K.M.; Sterne, R.J. [Pacific Northwest Lab., Richland, WA (United States)

    1995-12-31

    Assessing the migration potential of radionuclides leached from low-level radioactive waste (LLW) and decommissioning sites necessitates information on the effects of sorption and precipitation on the concentrations of dissolved radionuclides. Such an assessment requires that the geochemical processes of aqueous speciation, complexation, oxidation/reduction, and ion exchange be taken into account. The Pacific Northwest National Laboratory (PNNL) is providing technical support to the U.S. Nuclear Regulatory Commission (NRC) for defining the solubility and sorption behavior of radionuclides in soil/ground-water environments associated with engineered cementitious LLW disposal systems and decommissioning sites. Geochemical modeling is being used to predict solubility limits for radionuclides under geochemical conditions associated with these environments. The solubility limits are being used as maximum concentration limits in performance assessment calculations describing the release of contaminants from waste sources. Available data were compiled regarding the sorption potential of radionuclides onto {open_quotes}fresh{close_quotes} cement/concrete where the expected pH of the cement pore waters will equal to or exceed 10. Based on information gleaned from the literature, a list of preferred minimum distribution coefficients (Kd`s) was developed for these radionuclides. The K{sub d} values are specific to the chemical environments associated with the evolution of the compositions of cement/concrete pore waters.

  4. COMPLEX SURFACE HARDENING OF STEEL ARTICLES

    Directory of Open Access Journals (Sweden)

    A. V. Kovalchuk

    2014-01-01

    Full Text Available The method of complex surface hardening of steel detailswas designed. The method is a compound of two processes of hardening: chemical heat treatment and physical vapor deposition (PVD of the coating. The result, achieved in this study is much higher, than in other work on this topic and is cumulative. The method designed can be used in mechanical engineering, medicine, energetics and is perspective for military and space technologies.

  5. A Spatially Constrained Multi-autoencoder Approach for Multivariate Geochemical Anomaly Recognition

    Science.gov (United States)

    Lirong, C.; Qingfeng, G.; Renguang, Z.; Yihui, X.

    2017-12-01

    Separating and recognizing geochemical anomalies from the geochemical background is one of the key tasks in geochemical exploration. Many methods have been developed, such as calculating the mean ±2 standard deviation, and fractal/multifractal models. In recent years, deep autoencoder, a deep learning approach, have been used for multivariate geochemical anomaly recognition. While being able to deal with the non-normal distributions of geochemical concentrations and the non-linear relationships among them, this self-supervised learning method does not take into account the spatial heterogeneity of geochemical background and the uncertainty induced by the randomly initialized weights of neurons, leading to ineffective recognition of weak anomalies. In this paper, we introduce a spatially constrained multi-autoencoder (SCMA) approach for multivariate geochemical anomaly recognition, which includes two steps: spatial partitioning and anomaly score computation. The first step divides the study area into multiple sub-regions to segregate the geochemical background, by grouping the geochemical samples through K-means clustering, spatial filtering, and spatial constraining rules. In the second step, for each sub-region, a group of autoencoder neural networks are constructed with an identical structure but different initial weights on neurons. Each autoencoder is trained using the geochemical samples within the corresponding sub-region to learn the sub-regional geochemical background. The best autoencoder of a group is chosen as the final model for the corresponding sub-region. The anomaly score at each location can then be calculated as the euclidean distance between the observed concentrations and reconstructed concentrations of geochemical elements.The experiments using the geochemical data and Fe deposits in the southwestern Fujian province of China showed that our SCMA approach greatly improved the recognition of weak anomalies, achieving the AUC of 0.89, compared

  6. Reconnaissance Geochemical Study

    African Journals Online (AJOL)

    distribution patterns. The geochemical distribution maps of the elements reveal that Cu, Pb, Zn, Co, Sc, Ni, Cr, .... After filtration, the leached solutions were diluted with ultra ...... some other rare earth elements in the study area. The occurrence ...

  7. Uranium(VI) transport modeling: geochemical data and submodels

    International Nuclear Information System (INIS)

    Tripathi, V.S.

    1984-01-01

    Understanding the geochemical mobility of U(VI) and modeling its transport is important in several contexts including ore genesis, uranium exploration, nuclear and mill-tailings waste management, and solution mining of uranium ores. Adsorption is a major control on partitioning of solutes at the mineral/solution interface. The effect of carbonate, fluoride, and phosphate complexing on adsorption of uranium was investigated. A critical compilation of stability constants of inorganic complexes and solid compounds of U(VI) necessary for proper design of experiment and for modeling transport of uranium was prepared. The general features of U(VI) adsorption in ligand-free systems are similar to those characteristic of other hydrolyzable metal ions. The adsorption processes studied were found to be reversible. The adsorption model developed in ligand-free systems, when solution complexing is taken into account, proved remarkably successful in describing adsorption of uranium in the presence of carbonate and fluoride. The presence of phosphate caused a much smaller decrease in the extent of adsorption than expected; however, a critical reassessment of the stability of UO 2 2+ .HPO 4 2- complexes, showed that phosphato complexes, if any, are extremely weak under experimental conditions. Removal of uranium may have occurred due to precipitation of sodium uranyl phosphates in addition to adsorption

  8. Geochemical databases. Part 1. Pmatch: a program to manage thermochemical data. Part 2. The experimental validation of geochemical computer models

    International Nuclear Information System (INIS)

    Pearson, F.J. Jr.; Avis, J.D.; Nilsson, K.; Skytte Jensen, B.

    1993-01-01

    This work is carried out under cost-sharing contract with European Atomic Energy Community in the framework of its programme on Management and Storage of Radioactive Wastes. Part 1: PMATCH, A Program to Manage Thermochemical Data, describes the development and use of a computer program, by means of which new thermodynamic data from literature may be referenced to a common frame and thereby become internally consistent with an existing database. The report presents the relevant thermodynamic expressions and their use in the program is discussed. When there is not sufficient thermodynamic data available to describe a species behaviour under all conceivable conditions, the problems arising are thoroughly discussed and the available data is handled by approximating expressions. Part II: The Experimental Validation of Geochemical Computer models are the results of experimental investigations of the equilibria established in aqueous suspensions of mixtures of carbonate minerals (Calcium, magnesium, manganese and europium carbonates) compared with theoretical calculations made by means of the geochemical JENSEN program. The study revealed that the geochemical computer program worked well, and that its database was of sufficient validity. However, it was observed that experimental difficulties could hardly be avoided, when as here a gaseous component took part in the equilibria. Whereas the magnesium and calcium carbonates did not demonstrate mutual solid solubility, this produced abnormal effects when manganese and calcium carbonates were mixed resulting in a diminished solubility of both manganese and calcium. With tracer amounts of europium added to a suspension of calcite in sodium carbonate solutions long term experiments revealed a transition after 1-2 months, whereby the tracer became more strongly adsorbed onto calcite. The transition is interpreted as the nucleation and formation of a surface phase incorporating the 'species' NaEu(Co 3 ) 2

  9. Coupling of transport and geochemical models

    International Nuclear Information System (INIS)

    Noy, D.J.

    1986-01-01

    This report considers mass transport in the far-field of a radioactive waste repository, and detailed geochemical modelling of the ground-water in the near-field. A parallel approach to this problem of coupling transport and geochemical codes is the subject of another CEC report (ref. EUR 10226). Both studies were carried out in the framework of the CEC project MIRAGE. (Migration of radionuclides in the geosphere)

  10. Surface complexation models for uranium adsorption in the sub-surface environment

    International Nuclear Information System (INIS)

    Payne, T.E.

    2007-01-01

    Adsorption experiments with soil component minerals under a range of conditions are being used to develop models of uranium(VI) uptake in the sub-surface environment. The results show that adsorption of U on iron oxides and clay minerals is influenced by chemical factors including the pH, partial pressure of CO 2 , and the presence of ligands such as phosphate. Surface complexation models (SCMs) can be used to simulate U adsorption on these minerals. The SCMs are based on plausible mechanistic assumptions and describe the experimental data more adequately than Kd values or sorption isotherms. It is conceptually possible to simulate U sorption data on complex natural samples by combining SCMs for individual component minerals. This approach was used to develop a SCM for U adsorption to mineral assemblages from Koongarra (Australia), and produced a reasonable description of U uptake. In order to assess the applicability of experimental data to the field situation, in-situ measurements of U distributions between solid and liquid phases were undertaken at the Koongarra U deposit. This field partitioning data showed a satisfactory agreement with laboratory sorption data obtained under comparable conditions. (author)

  11. The Guaymas Basin hiking guide to hydrothermal mounds, chimneys and microbial mats: complex seafloor expressions of subsurface hydrothermal circulation

    Directory of Open Access Journals (Sweden)

    Andreas eTeske

    2016-02-01

    Full Text Available The hydrothermal mats, mounds and chimneys of the southern Guaymas Basin are the surface expression of complex subsurface hydrothermal circulation patterns. In this overview we document the most frequently visited features of this hydrothermal area with photographs, temperature measurements, and selected geochemical data; many of these distinct habitats await characterization of their microbial communities and activities. Microprofiler deployments on microbial mats and hydrothermal sediments show their steep geochemical and thermal gradients at millimeter-scale vertical resolution. Mapping these hydrothermal features and sampling locations within the southern Guaymas Basin suggest linkages to underlying shallow sills and heatflow gradients. Recognizing the inherent spatial limitations of much current Guaymas Basin sampling calls for a wider survey of the entire spreading region.

  12. The geochemical behavior of protactinium 231 and its chosen geochemical analogue thorium in the biosphere

    International Nuclear Information System (INIS)

    Gillberg-Wickman, M.

    1983-03-01

    To be able to judge whether protactinium 231 might represent a major contribution to the human radiation risk from high level radioactive waste a literature study of the geochemical behavior of protactinium has been made. The interest in protactinium determinations has, as far, been in the field of marine geochemistry and geochronology. These investigations show that thorium may be used as a chemical analogue. The content of protactinium 231 is determined by the 235 U content and consequently the occurrence of protactinium in nature is directly associated to the geochemistry of uranium. The pronounced hydrolytic tendency of protactinium and its great sorption and coprecipitation capacity ought to prevent or at least appreciably delay its transport from a back-filled nuclear waste vault to the uppermost surface of the earth. It also has a tendency to form colloids or particulates which may be strongly fixed on a rock surface. In adsorption and desorption processes kinetics must play an important role. Our knowledge in this field is quite limited. Under the physico-chemical conditions in the sea, protactinium is rapidly scavenged from the water column by particulates. It accumulates in the sediments. (author)

  13. Concerning evaluation of eco-geochemical background in remediation strategy

    Science.gov (United States)

    Korobova, Elena; Romanov, Sergey

    2015-04-01

    The geochemical concept of biosphere developed by V.I. Vernadsky states the geological role of the living organisms in the course of their active chemical interaction with the inert matter (Vernadsky, 1926, 1960). Basing on this theory it is reasonable to suggest that coevolution of living organisms and their environment led to development of the dynamically stable biogeocenoses precisely adequate to their geochemical environment. Soil cover was treated by V.I. Vernadsky as a balanced bio-inert matter resulting from this interaction. Appearance of human mind and then a civilization led to global expansion of human beings, first able to survive in unfavorable geochemical conditions and then starting chemical transformation of the environment to satisfy the growing demands of mankind in food and energy. The residence in unfavorable environment and local contamination was followed by appearance of endemic diseases of plants, animals and man. Therefore zonal, regional and local chemical composition of the soil cover formed in natural conditions may be used for estimation of the optimum geochemical background, most adequate for the corresponding zonal biogeocenoses and species. Moreover, the natural geochemical background and technogenic fields have unequal spatial structure and this facilitates their identification that may be relatively easy realized in remediation strategy. On the assumption of the foregoing, the adequate methodical approach to remediation of technogenically affected areas should account of the interaction of the existing natural and the newly formed technogenic geochemical fields and include the following steps: 1) the study and mapping of geochemical structure of the natural geochemical background basing on soil maps; 2) the study of contaminants and mapping spatial distribution of technogenic releases; 3) construction of risk maps for the target risk groups with due regard to natural ecological threshold concentration in context of risk degree for

  14. Isotopic-geochemical investigation of Vitosh pluton (Bulgaria)

    International Nuclear Information System (INIS)

    Amelin, Yu.V.; Drubetskoj, E.R.; Monchev, N.B.; Nejmark, L.A.; Ovchinnikova, G.V.; Levskij, L.K.

    1989-01-01

    A set of isotope-geochronological (Rb-Sr, K-Ar, uranium fission tracks) and isotope-geochemical (Sr, Pb, Nd, He) methods was used to establish genesis and age of multi-phase Vitosh pluton. The investigation results have shown that primary magma from which pluton rocks were formed is generated at the level of high mantle - low crust. Insignificant difference in time of implantation and crystallization between variuos pluton phases is established. In the interval 84-79 millions of years the velocity of rock cooling and the velocity of pluton lift to the surface were estimated. In the interval 79-0 millions of years these velocities decrease essentially. After formation the rocks were not subjected to additional heat affects

  15. Geochemical mapping study of Panjang island

    International Nuclear Information System (INIS)

    Sutisna; Sumardjo

    2010-01-01

    Impact of industrial and regional development are not only related to an improvement of socio-economic, but also to an environmental conservation and sustainable. This impact could be observed on a change of geochemical mapping before and after an operational of the industry. In the relation with a regional development and resources utilization, the geochemical mapping have been done in the aim to know a resources and an elemental distribution at Panjang island. In this research, ko-Instrumental Neutron Activation Analysis (k_0-INAA) have been applied in an elemental quantification on the geochemical mapping. Pencuplikan of geochemical sample have been carried out by using a grid systematic method with a sample density of about 10 sample per square kilometre involved 85 pencuplikan point. The geochemical sample of sediment and soil have been provided as a dry weight of 100 mesh. Internal quality control have done by using a number of Standard Reference Materials obtained from US. Geological Survey. Fifteen elements of Sc, Co, In, Rb, Mo, Ba, Ce, Nd, Eu, La, Yb, Th, U, lr and Hf contained in standard materials have been evaluated. The analysis result show that a relative standard deviation less than 11 %, except for Mo (13 %) and lr (26 %). Fourteen elements of Al, Br, Ca, Co, Eu, Fe, La, U, Na, Ce, Mn, As, Sc and Th have been mapped and presented in this paper. The major elements of Ca, Al and Fe, and minor elements of Mn, U and Sc are distributed at all region. The lanthanide elements of La, Ce and Eu have vary concentration and could be found at the middle to the north of the island. (author)

  16. Geochemical and sedimentologic problems of uranium deposits of Texas Gulf Coastal Plain

    International Nuclear Information System (INIS)

    Huang, W.H.

    1978-01-01

    Exploration targets for sedimentary uranium ore bodies in the Texas Gulf Coastal Plain include: (1) favorable source rocks for uranium, (2) favorable conditions for uranium leached and transported out of the source rocks, and (3) favorable geologic characteristics of the host rocks for the accumulation of uranium of economic importance. However, data available from known deposits point out more questions of research than answers. Mobility and accumulation of uranium of economic importance in host rocks are controlled by at least three factors - physical, chemical-mineralogic, and hydrologic - that interact dynamically. Physical factors include the nature (viscosity) of the transporting fluid, the permeability of host rock with respect to transporting solution in terms of medium rate, potential differentials, and temperature of the uranium-bearing solution in the macroenvironment. Chemical-mineralogic factors include the ionic strength of solution, chemical activities of species in the solution, chemical activities of pore water in host rocks, surface activity and surface energy of mineral constituents in host rocks, solubilities of ore and gangue minerals, pH, and Eh in the microenvironment. Hydrologic factors include fluctuation of the depth of the oxidation-reduction interfaces in the paleoaquifer host rocks, and their subsequent modification by present hydrologic factors. Geochemical mechanisms that are likely to have been in operation for uranium accumulation are precipitation, adsorption, and/or complexing. 4 figures

  17. Baseline Geochemical Data for Medical Researchers in Kentucky

    Science.gov (United States)

    Anderson, W.

    2017-12-01

    According to the Centers for Disease Control, Kentucky has the highest cancer incidence and death rates in the country. New efforts by geochemists and medical researchers are examining ways to diagnose the origin and sources of carcinogenesis. In an effort to determine if naturally occurring geochemical or mineral elements contributes to the cancer causation, the Kentucky Geological Survey has established a Minerals and Geochemical Database that is available to medical researchers for examination of baseline geochemistry and determine if naturally occurring mineral or chemical elements contribute to the high rate of cancers in the state. Cancer causation is complex, so if natural sources can be accounted for, then researchers can focus on the true causation. Naturally occurring minerals, metals and elements occur in many parts of the state, and their presence is valuable for evaluating causation. For example, some data in the database contain maps showing (a) statewide elemental geochemistry, (b) areas of black shale oxidation occurrence, which releases metals in soil and surface waters, (c) some clay deposits in the state that can contain high content of rare earth elements, and (d) site-specific uranium occurrences. Knowing the locations of major ore deposits in the state can also provide information related to mineral and chemical anomalies, such as for base metals and mercury. Radionuclide data in soil and water analyses are limited, so future research may involve obtaining more analyses to determine radon potential. This database also contains information on faulting and geology in the state. Although the metals content of trees may not seem relevant, the ash and humus content of degraded trees affects soil, stream sediment and water geochemistry. Many rural homes heat with wood, releasing metals into the surrounding biosphere. Stressed vegetation techniques can be used to explore for ore deposits and look for high metal contents in soils and rocks. These

  18. Geochemical signatures of uranium deposits within stream sediment of humid intertropical environment example from Gabon Francevillien deposits

    International Nuclear Information System (INIS)

    Nganzi, C.

    1983-01-01

    In the frame of geochemical prospection of uranium ores, the method based on adsorption is used for interpreting anomalies in classical methods. This study shows the importance of adsorption from specific surface area determined by the B.E.T. method [fr

  19. Applicability of surface complexation modelling in TVO's studies on sorption of radionuclides

    International Nuclear Information System (INIS)

    Carlsson, T.

    1994-03-01

    The report focuses on the possibility of applying surface complexation theories to the conditions at a potential repository site in Finland and of doing proper experimental work in order to determine necessary constants for the models. The report provides background information on: (1) what type experiments should be carried out in order to produce data for surface complexation modelling of sorption phenomena under potential Finnish repository conditions, and (2) how to design and perform properly such experiments, in order to gather data, develop models or both. The report does not describe in detail how proper surface complexation experiments or modelling should be carried out. The work contains several examples of information that may be valuable in both modelling and experimental work. (51 refs., 6 figs., 4 tabs.)

  20. Advanced cost-effective surface geochemical techniques for oil/gas/uranium exploration, environmental assessments and pipeline monitoring - a template for India

    International Nuclear Information System (INIS)

    Lafleur, Paul; Chanrasekharan, G.Y.V.N.; Rajender Rao, S.

    2011-01-01

    Advanced geochemical soil gas methods have been successfully developed for the exploration of oil/gas/uranium and for environmental assessments. Application of these cost-effective technologies in India can substantially reduce exploration risk while accelerating the development of oil/gas/uranium onshore resources. A reliable and effective monitoring system using geochemical soil gas surveys ensures that CO 2 Enhanced Oil Recovery operations as well as CO 2 sequestration projects are safe and acceptable for the disposal of CO 2 , Soil gas surveys along with other technologies can also be applied for monitoring of oil/gas pipelines for leakage, especially those that are old or pass through populated regions

  1. Geochemical Investigations of Groundwater Stability

    International Nuclear Information System (INIS)

    Bath, Adrian

    2006-05-01

    The report describes geochemical parameters and methods that provide information about the hydrodynamic stability of groundwaters in low permeability fractured rocks that are potential hosts for radioactive waste repositories. Hydrodynamic stability describes the propensity for changes in groundwater flows over long timescales, in terms of flow rates and flow directions. Hydrodynamic changes may also cause changes in water compositions, but the related issue of geochemical stability of a potential repository host rock system is outside the scope of this report. The main approaches to assessing groundwater stability are numerical modelling, measurement and interpretation of geochemical indicators in groundwater compositions, and analyses and interpretations of secondary minerals and fluid inclusions in these minerals. This report covers the latter two topics, with emphasis on geochemical indicators. The extent to which palaeohydrogeology and geochemical stability indicators have been used in past safety cases is reviewed. It has been very variable, both in terms of the scenarios considered, the stability indicators considered and the extent to which the information was explicitly or implicitly used in assessing FEPs and scenarios in the safety cases. Geochemical indicators of hydrodynamic stability provide various categories of information that are of hydrogeological relevance. Information about groundwater mixing, flows and water sources is potentially provided by the total salinity of groundwaters, their contents of specific non-reactive solutes (principally chloride) and possibly of other solutes, the stable isotopic ratio of water, and certain characteristics of secondary minerals and fluid inclusions. Information pertaining directly to groundwater ages and the timing of water and solute movements is provided by isotopic systems including tritium, carbon-14, chlorine-36, stable oxygen and hydrogen isotopes, uranium isotopes and dissolved mobile gases in

  2. Factors of the accumulation of heavy metals and metalloids at geochemical barriers in urban soils

    Science.gov (United States)

    Kosheleva, N. E.; Kasimov, N. S.; Vlasov, D. V.

    2015-05-01

    The bulk contents and concentrations of mobile (extracted by an ammonium acetate buffer with EDTA) Cd, Pb, Sb, As, Bi, Zn, and Cu were determined in the surface horizons of urban soils in the Eastern administrative okrug of Moscow. The regression analysis showed that the accumulation of these metals and metalloids in the soils is controlled by the physicochemical soil properties and by number of anthropogenic factors and landscape conditions (geochemical position, type of loose deposits, character of land use, dust load, vehicle emissions, building pattern, percent of green areas, and the extent of sealed soils). The precipitation of studied elements on the geochemical barriers had the following regularities: Cd, Cu, and Zn accumulated on the alkaline barriers; Bi, Sb, As, Cu, Pb, and Zn, on chemisorption barriers; Sb, As, and Pb, on organomineral barriers; and Cd and Cu, on the sorption-sedimentation barriers. Technogenic transformation of the physicochemical properties of urban soils resulted in the increase of the mean bulk contents of heavy metals and metalloids by 33-99%; the portion of elements fixed on the geochemical barriers increased by 26-50%.

  3. Geochemical homogeneity of tuffs at the potential repository level, Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Peterman, Zell E.; Cloke, Paul

    2001-01-01

    In a potential high-level radioactive waste repository at Yucca Mountain, Nevada, radioactive waste and canisters, drip shields protecting the waste from seepage and from rock falls, the backfill and invert material of crushed rock, the host rock, and water and gases contained within pores and fractures in the host rock together would form a complex system commonly referred to as the near-field geochemical environment. Materials introduced into the rock mass with the waste that are designed to prolong containment collectively are referred to as the Engineered Barrier System, and the host rock and its contained water and gases compose the natural system. The interaction of these component parts under highly perturbed conditions including temperatures well above natural ambient temperatures will need to be understood to assess the performance of the potential repository for long-term containment of nuclear waste. The geochemistry and mineralogy of the rock mass hosting the emplacement drifts must be known in order to assess the role of the natural system in the near-field environment. Emplacement drifts in a potential repository at Yucca Mountain would be constructed in the phenocryst-poor member of the Topopah Spring Tuff which is composed of both lithophysal and nonlithophysal zones. The chemical composition of the phenocryst-poor member has been characterized by numerous chemical analyses of outcrop samples and of core samples obtained by surface-based drilling. Those analyses have shown that the phenocryst-poor member of the Topopah Spring Tuff is remarkably uniform in composition both vertically and laterally. To verify this geochemical uniformity and to provide rock analyses of samples obtained directly from the potential repository block, major and trace elements were analyzed in core samples obtained from drill holes in the cross drift, which was driven to provide direct access to the rock mass where emplacement drifts would be constructed

  4. A method of reconstructing complex stratigraphic surfaces with multitype fault constraints

    Science.gov (United States)

    Deng, Shi-Wu; Jia, Yu; Yao, Xing-Miao; Liu, Zhi-Ning

    2017-06-01

    The construction of complex stratigraphic surfaces is widely employed in many fields, such as petroleum exploration, geological modeling, and geological structure analysis. It also serves as an important foundation for data visualization and visual analysis in these fields. The existing surface construction methods have several deficiencies and face various difficulties, such as the presence of multitype faults and roughness of resulting surfaces. In this paper, a surface modeling method that uses geometric partial differential equations (PDEs) is introduced for the construction of stratigraphic surfaces. It effectively solves the problem of surface roughness caused by the irregularity of stratigraphic data distribution. To cope with the presence of multitype complex faults, a two-way projection algorithm between threedimensional space and a two-dimensional plane is proposed. Using this algorithm, a unified method based on geometric PDEs is developed for dealing with multitype faults. Moreover, the corresponding geometric PDE is derived, and an algorithm based on an evolutionary solution is developed. The algorithm proposed for constructing spatial surfaces with real data verifies its computational efficiency and its ability to handle irregular data distribution. In particular, it can reconstruct faulty surfaces, especially those with overthrust faults.

  5. Uncertainty analysis of point by point sampling complex surfaces using touch probe CMMs

    DEFF Research Database (Denmark)

    Barini, Emanuele; Tosello, Guido; De Chiffre, Leonardo

    2007-01-01

    The paper describes a study concerning point by point scanning of complex surfaces using tactile CMMs. A four factors-two level full factorial experiment was carried out, involving measurements on a complex surface configuration item comprising a sphere, a cylinder and a cone, combined in a singl...

  6. Ion exchange and trace element surface complexation reactions associated with applied recharge of low-TDS water in the San Joaquin Valley, California

    International Nuclear Information System (INIS)

    McNab, Walt W.; Singleton, Michael J.; Moran, Jean E.; Esser, Bradley K.

    2009-01-01

    Stable isotope data, a dissolved gas tracer study, groundwater age dating, and geochemical modeling were used to identify and characterize the effects of introducing low-TDS recharge water in a shallow aerobic aquifer affected by a managed aquifer recharge project in California's San Joaquin Valley. The data all consistently point to a substantial degree of mixing of recharge water from surface ponds with ambient groundwater in a number of nearby wells screened at depths above 60 m below ground surface. Groundwater age data indicate that the wells near the recharge ponds sample recently recharged water, as delineated by stable O and C isotope data as well as total dissolved solids, in addition to much older groundwater in various mixing proportions. Where the recharge water signature is present, the specific geochemical interactions between the recharge water and the aquifer material appear to include ion exchange reactions (comparative enrichment of affected groundwater with Na and K at the expense of Ca and Mg) and the desorption of oxyanion-forming trace elements (As, V, and Mo), possibly in response to the elevated pH of the recharge water

  7. Surface complexation modeling for predicting solid phase arsenic concentrations in the sediments of the Mississippi River Valley alluvial aquifer, Arkansas, USA

    Science.gov (United States)

    Sharif, M.S.U.; Davis, R.K.; Steele, K.F.; Kim, B.; Hays, P.D.; Kresse, T.M.; Fazio, J.A.

    2011-01-01

    The potential health impact of As in drinking water supply systems in the Mississippi River Valley alluvial aquifer in the state of Arkansas, USA is significant. In this context it is important to understand the occurrence, distribution and mobilization of As in the Mississippi River Valley alluvial aquifer. Application of surface complexation models (SCMs) to predict the sorption behavior of As and hydrous Fe oxides (HFO) in the laboratory has increased in the last decade. However, the application of SCMs to predict the sorption of As in natural sediments has not often been reported, and such applications are greatly constrained by the lack of site-specific model parameters. Attempts have been made to use SCMs considering a component additivity (CA) approach which accounts for relative abundances of pure phases in natural sediments, followed by the addition of SCM parameters individually for each phase. Although few reliable and internally consistent sorption databases related to HFO exist, the use of SCMs using laboratory-derived sorption databases to predict the mobility of As in natural sediments has increased. This study is an attempt to evaluate the ability of the SCMs using the geochemical code PHREEQC to predict solid phase As in the sediments of the Mississippi River Valley alluvial aquifer in Arkansas. The SCM option of the double-layer model (DLM) was simulated using ferrihydrite and goethite as sorbents quantified from chemical extractions, calculated surface-site densities, published surface properties, and published laboratory-derived sorption constants for the sorbents. The model results are satisfactory for shallow wells (10.6. m below ground surface), where the redox condition is relatively oxic or mildly suboxic. However, for the deep alluvial aquifer (21-36.6. m below ground surface) where the redox condition is suboxic to anoxic, the model results are unsatisfactory. ?? 2011 Elsevier Ltd.

  8. Geochemical controls on groundwater chemistry in shales

    International Nuclear Information System (INIS)

    Von Damm, K.L.

    1989-01-01

    The chemistry of groundwaters is one of the most important parameters in determining the mobility of species within a rock formation. A three pronged approach was used to determine the composition of, and geochemical controls, on groundwaters specifically within shale formations: (1) available data were collected from the literature, the US Geological Survey WATSTORE data base, and field sampling, (2) the geochemical modeling code EQ3/6 was used to simulate interaction of various shales and groundwaters, and (3) several types of shale were reacted with synthetic groundwaters in the laboratory. The comparison of model results to field and laboratory data provide a means of validating the models, as well as a means of deconvoluting complex field interactions. Results suggest that groundwaters in shales have a wide range in composition and are primarily of the Na-Cl-HCO 3 - type. The constancy of the Na:Cl (molar) ratio at 1:1 and the Ca:Mg ratio from 3:1 to 1:1 suggests the importance of halite and carbonates in controlling groundwater compositions. In agreement with the reaction path modeling, most of the groundwaters are neutral to slightly alkaline at low temperatures. Model and experimental results suggest that reaction (1) at elevated temperatures, or (2) in the presence of oxygen will lead to more acidic conditions. Some acetate was found to be produced in the experiments; depending on the constraints applied, large amounts of acetate were produced in the model results. 13 refs., 1 tab

  9. Modeling uranium(VI) adsorption onto montmorillonite under varying carbonate concentrations: A surface complexation model accounting for the spillover effect on surface potential

    Science.gov (United States)

    Tournassat, C.; Tinnacher, R. M.; Grangeon, S.; Davis, J. A.

    2018-01-01

    The prediction of U(VI) adsorption onto montmorillonite clay is confounded by the complexities of: (1) the montmorillonite structure in terms of adsorption sites on basal and edge surfaces, and the complex interactions between the electrical double layers at these surfaces, and (2) U(VI) solution speciation, which can include cationic, anionic and neutral species. Previous U(VI)-montmorillonite adsorption and modeling studies have typically expanded classical surface complexation modeling approaches, initially developed for simple oxides, to include both cation exchange and surface complexation reactions. However, previous models have not taken into account the unique characteristics of electrostatic surface potentials that occur at montmorillonite edge sites, where the electrostatic surface potential of basal plane cation exchange sites influences the surface potential of neighboring edge sites ('spillover' effect). A series of U(VI) - Na-montmorillonite batch adsorption experiments was conducted as a function of pH, with variable U(VI), Ca, and dissolved carbonate concentrations. Based on the experimental data, a new type of surface complexation model (SCM) was developed for montmorillonite, that specifically accounts for the spillover effect using the edge surface speciation model by Tournassat et al. (2016a). The SCM allows for a prediction of U(VI) adsorption under varying chemical conditions with a minimum number of fitting parameters, not only for our own experimental results, but also for a number of published data sets. The model agreed well with many of these datasets without introducing a second site type or including the formation of ternary U(VI)-carbonato surface complexes. The model predictions were greatly impacted by utilizing analytical measurements of dissolved inorganic carbon (DIC) concentrations in individual sample solutions rather than assuming solution equilibration with a specific partial pressure of CO2, even when the gas phase was

  10. Sedimentological, mineralogical, and geochemical results from surface sediments and the sediment record from Site 2 of the ICDP drilling project at Lake Towuti, Indonesia

    Science.gov (United States)

    Hasberg, A. K.; Melles, M.; Wennrich, V.; Vogel, H.; Just, J.; Russell, J. M.; Bijaksana, S.; Morlock, M.; Opitz, S.

    2017-12-01

    More than 1000 m of sediment core were recovered in spring 2015 from three different drill sites in tropical Lake Towuti (2.5°S, 121°E), Indonesia, during the Towuti Drilling Project (TDP) of the International Continental Scientific Drilling Program (ICDP). Furthermore, a set of 84 lake surface sediment samples, distributed over the entire lake, was collected in order to better understand modern sedimentary processes. The surface samples were investigated for physical, chemical, mineralogical, and biological properties at the University of Cologne (UoC), Germany. On the sediment cores macro- and microscopical lithological descriptions, line-scan imaging, logging of physical properties (MSCL), and subsampling was conducted at the National Lacustrine Core Facility of the University of Minnesota, USA, in November 2015 and January 2016. Afterwards, the archive core halves and 672 subsamples of TDP Site 2 were shipped to the UoC for X-Ray Fluorescence (XRF) scanning and sedimentological, geochemical, and mineralogical analyses, respectively, supplemented by visible to near-infrared spectroscopy (VNIR) at Brown University, USA. The data from the surface samples evidence that allochthonous sedimentation in Lake Towuti today is dominated by fluvial supply from five distinguishable source areas: (i) the Mahalona River to the north, which drains lakes Mahalona and Matano, (ii) inlets around the village of Timampu to the northwest, (iii) the Loeha River to the east, (iv) the Lengke River to the south, and (v) the Lemo-Lemo River to the northeast of Lake Towuti. Of these, source areas (ii) and (iii) as well as (iv) and (v) have similar geochemical compositions, respectively. In addition, the lake sedimentation is significantly influenced by gravitational sediment supply from steep slopes as well as lake-internal gravitational and density-driven processes. The uppermost 41 m of sediment core 2A consist of pelagic sediments (totaling 11 m) and event layers from mass movement

  11. Geochemical processes controlling water salinization in an irrigated basin in Spain: Identification of natural and anthropogenic influence

    Energy Technology Data Exchange (ETDEWEB)

    Merchán, D., E-mail: d.merchan@igme.es [Geological Survey of Spain — IGME, C/Manuel Lasala 44 9B, 50006 Zaragoza (Spain); Auqué, L.F.; Acero, P.; Gimeno, M.J. [University of Zaragoza — Department of Earth Sciences (Geochemical Modelling Group), C/Pedro Cerbuna 12, 50009 Zaragoza (Spain); Causapé, J. [Geological Survey of Spain — IGME, C/Manuel Lasala 44 9B, 50006 Zaragoza (Spain)

    2015-01-01

    Salinization of water bodies represents a significant risk in water systems. The salinization of waters in a small irrigated hydrological basin is studied herein through an integrated hydrogeochemical study including multivariate statistical analyses and geochemical modeling. The study zone has two well differentiated geologic materials: (i) Quaternary sediments of low salinity and high permeability and (ii) Tertiary sediments of high salinity and very low permeability. In this work, soil samples were collected and leaching experiments conducted on them in the laboratory. In addition, water samples were collected from precipitation, irrigation, groundwater, spring and surface waters. The waters show an increase in salinity from precipitation and irrigation water to ground- and, finally, surface water. The enrichment in salinity is related to the dissolution of soluble mineral present mainly in the Tertiary materials. Cation exchange, precipitation of calcite and, probably, incongruent dissolution of dolomite, have been inferred from the hydrochemical data set. Multivariate statistical analysis provided information about the structure of the data, differentiating the group of surface waters from the groundwaters and the salinization from the nitrate pollution processes. The available information was included in geochemical models in which hypothesis of consistency and thermodynamic feasibility were checked. The assessment of the collected information pointed to a natural control on salinization processes in the Lerma Basin with minimal influence of anthropogenic factors. - Highlights: • Salinization in Lerma Basin was controlled by the dissolution of soluble salts. • Water salinization and nitrate pollution were found to be independent processes. • High NO{sub 3}, fresh groundwater evolved to lower NO{sub 3}, higher salinity surface water. • Inverse and direct geochemical modeling confirmed the hypotheses. • Salinization was a natural ongoing process

  12. Technology of magnetic abrasive finishing in machining of difficult-to-machine alloy complex surface

    Directory of Open Access Journals (Sweden)

    Fujian MA

    2016-10-01

    Full Text Available The technology of magnetic abrasive finishing is one of the important finishing technologies. Combining with low-frequency vibration and ultrasonic vibration, it can attain higher precision, quality and efficiency. The characteristics and the related current research of magnetic abrasive finishing, vibration assisted magnetic abrasive finishing and ultrasonic assisted magnetic abrasive finishing are introduced. According to the characteristics of the difficult-to-machine alloy's complex surface, the important problems for further study are presented to realize the finishing of complex surface with the technology of magnetic abrasive finishing, such as increasing the machining efficiency by enhancing the magnetic flux density of machining gap and compounding of magnetic energy and others, establishing of the control function during machining and the process planning method for magnetic abrasive finishing of complex surface under the space geometry restraint of complex surface on magnetic pole, etc.

  13. Geochemical baseline studies of soil in Finland

    Science.gov (United States)

    Pihlaja, Jouni

    2017-04-01

    The soil element concentrations regionally vary a lot in Finland. Mostly this is caused by the different bedrock types, which are reflected in the soil qualities. Geological Survey of Finland (GTK) is carrying out geochemical baseline studies in Finland. In the previous phase, the research is focusing on urban areas and mine environments. The information can, for example, be used to determine the need for soil remediation, to assess environmental impacts or to measure the natural state of soil in industrial areas or mine districts. The field work is done by taking soil samples, typically at depth between 0-10 cm. Sampling sites are chosen to represent the most vulnerable areas when thinking of human impacts by possible toxic soil element contents: playgrounds, day-care centers, schools, parks and residential areas. In the mine districts the samples are taken from the areas locating outside the airborne dust effected areas. Element contents of the soil samples are then analyzed with ICP-AES and ICP-MS, Hg with CV-AAS. The results of the geochemical baseline studies are published in the Finnish national geochemical baseline database (TAPIR). The geochemical baseline map service is free for all users via internet browser. Through this map service it is possible to calculate regional soil baseline values using geochemical data stored in the map service database. Baseline data for 17 elements in total is provided in the map service and it can be viewed on the GTK's web pages (http://gtkdata.gtk.fi/Tapir/indexEN.html).

  14. Alligator Rivers Analogue project. Geochemical Data Bases

    International Nuclear Information System (INIS)

    Bennett, D.G.; Read, D.

    1992-01-01

    The Koongarra uranium deposit in the Northern Territory of Australia is being studied to evaluate the processes involved in the geochemical alteration of the ore body and the formation of the uranium dispersion fan. A broad range of research is being undertaken into the geochemistry and hydrology of the site with the aim of understanding the transport of radionuclides through the system. During the project a range of geochemical and hydrogeochemical models have been developed to account for measured data from the site and with which to predict site evolution. The majority of these models are based on the premise of thermodynamic chemical equilibrium and employ fundamental thermodynamic data to characterise the chemistry of the system. From the differences which exist between the thermodynamic data bases (Appendices I and II) it is possible to gain a view of the level of uncertainty associated with thermodynamic data in each set of calculations. This report gives a brief introduction to the geochemical processes underlying the models, and details the equations used to quantify the more common of these processes (e.g. aqueous speciation and mineral solubility). A description is given of the computer codes (EQ3/6, PHREEQE, MINTEQ) most commonly used during the project for geochemical modelling. Their key features are highlighted and comparisons made. It is concluded that the degree of uncertainty in geochemical modelling studies arising as a result of using one code rather than another is relatively insignificant when compared to that related to differences in the underlying data bases. 73 refs., 3 figs

  15. Geochemical Investigations of Groundwater Stability

    Energy Technology Data Exchange (ETDEWEB)

    Bath, Adrian [Intellisci Ltd., Loughborough (United Kingdom)

    2006-05-15

    The report describes geochemical parameters and methods that provide information about the hydrodynamic stability of groundwaters in low permeability fractured rocks that are potential hosts for radioactive waste repositories. Hydrodynamic stability describes the propensity for changes in groundwater flows over long timescales, in terms of flow rates and flow directions. Hydrodynamic changes may also cause changes in water compositions, but the related issue of geochemical stability of a potential repository host rock system is outside the scope of this report. The main approaches to assessing groundwater stability are numerical modelling, measurement and interpretation of geochemical indicators in groundwater compositions, and analyses and interpretations of secondary minerals and fluid inclusions in these minerals. This report covers the latter two topics, with emphasis on geochemical indicators. The extent to which palaeohydrogeology and geochemical stability indicators have been used in past safety cases is reviewed. It has been very variable, both in terms of the scenarios considered, the stability indicators considered and the extent to which the information was explicitly or implicitly used in assessing FEPs and scenarios in the safety cases. Geochemical indicators of hydrodynamic stability provide various categories of information that are of hydrogeological relevance. Information about groundwater mixing, flows and water sources is potentially provided by the total salinity of groundwaters, their contents of specific non-reactive solutes (principally chloride) and possibly of other solutes, the stable isotopic ratio of water, and certain characteristics of secondary minerals and fluid inclusions. Information pertaining directly to groundwater ages and the timing of water and solute movements is provided by isotopic systems including tritium, carbon-14, chlorine-36, stable oxygen and hydrogen isotopes, uranium isotopes and dissolved mobile gases in

  16. Measurement of complex surfaces

    International Nuclear Information System (INIS)

    Brown, G.M.

    1993-05-01

    Several of the components used in coil fabrication involve complex surfaces and dimensions that are not well suited to measurements using conventional dimensional measuring equipment. Some relatively simple techniques that are in use in the SSCL Magnet Systems Division (MSD) for incoming inspection will be described, with discussion of their suitability for specific applications. Components that are submitted for MSD Quality Assurance (QA) dimensional inspection may be divided into two distinct categories; the first category involves components for which there is an approved drawing and for which all nominal dimensions are known; the second category involves parts for which 'reverse engineering' is required, the part is available but there are no available drawings or dimensions. This second category typically occurs during development of coil end parts and coil turn filler parts where it is necessary to manually shape the part and then measure it to develop the information required to prepare a drawing for the part

  17. Interaction of Uranium with Bacterial Cell Surfaces: Inferences from Phosphatase-Mediated Uranium Precipitation

    Science.gov (United States)

    Kulkarni, Sayali; Misra, Chitra Seetharam; Gupta, Alka; Ballal, Anand

    2016-01-01

    ABSTRACT Deinococcus radiodurans and Escherichia coli expressing either PhoN, a periplasmic acid phosphatase, or PhoK, an extracellular alkaline phosphatase, were evaluated for uranium (U) bioprecipitation under two specific geochemical conditions (GCs): (i) a carbonate-deficient condition at near-neutral pH (GC1), and (ii) a carbonate-abundant condition at alkaline pH (GC2). Transmission electron microscopy revealed that recombinant cells expressing PhoN/PhoK formed cell-associated uranyl phosphate precipitate under GC1, whereas the same cells displayed extracellular precipitation under GC2. These results implied that the cell-bound or extracellular location of the precipitate was governed by the uranyl species prevalent at that particular GC, rather than the location of phosphatase. MINTEQ modeling predicted the formation of predominantly positively charged uranium hydroxide ions under GC1 and negatively charged uranyl carbonate-hydroxide complexes under GC2. Both microbes adsorbed 6- to 10-fold more U under GC1 than under GC2, suggesting that higher biosorption of U to the bacterial cell surface under GC1 may lead to cell-associated U precipitation. In contrast, at alkaline pH and in the presence of excess carbonate under GC2, poor biosorption of negatively charged uranyl carbonate complexes on the cell surface might have resulted in extracellular precipitation. The toxicity of U observed under GC1 being higher than that under GC2 could also be attributed to the preferential adsorption of U on cell surfaces under GC1. This work provides a vivid description of the interaction of U complexes with bacterial cells. The findings have implications for the toxicity of various U species and for developing biological aqueous effluent waste treatment strategies. IMPORTANCE The present study provides illustrative insights into the interaction of uranium (U) complexes with recombinant bacterial cells overexpressing phosphatases. This work demonstrates the effects of aqueous

  18. Final Report: Molecular Basis for Microbial Adhesion and Geochemical Surface Reactions: A Study Across Scales

    Energy Technology Data Exchange (ETDEWEB)

    Dixon, David Adams [The University of Alabama

    2013-06-27

    Computational chemistry was used to help provide a molecular level description of the interactions of Gram-negative microbial membranes with subsurface materials. The goal is to develop a better understanding of the molecular processes involved in microbial metal binding, microbial attachment to mineral surfaces, and, eventually, oxidation/reduction reactions (electron transfer) that can occur at these surfaces and are mediated by the bacterial exterior surface. The project focused on the interaction of the outer microbial membrane, which is dominated by an exterior lipopolysaccharide (LPS) portion, of Pseudomonas aeruginosa with the mineral goethite and with solvated ions in the environment. This was originally a collaborative project with T.P. Straatsma and B. Lowery of the Pacific Northwest National Laboratory. The University of Alabama effort used electronic structure calculations to predict the molecular behavior of ions in solution and the behavior of the sugars which form a critical part of the LPS. The interactions of the sugars with metal ions are expected to dominate much of the microscopic structure and transport phenomena in the LPS. This work, in combination with the molecular dynamics simulations of Straatsma and the experimental electrochemistry and microscopy measurements of Lowry, both at PNNL, is providing new insights into the detailed molecular behavior of these membranes in geochemical environments. The effort at The University of Alabama has three components: solvation energies and structures of ions in solution, prediction of the acidity of the critical groups in the sugars in the LPS, and binding of metal ions to the sugar anions. An important aspect of the structure of the LPS membrane as well as ion transport in the LPS is the ability of the sugar side groups such as the carboxylic acids and the phosphates to bind positively charged ions. We are studying the acidity of the acidic side groups in order to better understand the ability of

  19. Hydrogeological and geochemical monitoring system for deep disposal in rock mass

    International Nuclear Information System (INIS)

    Itoh, K.; Otsuka, Y.; Ohi, Y.

    1996-01-01

    For investigation and construction of deep underground disposal site, it is very important to monitor three dimensional hydrogeological and geochemical condition for long term in all stages of investigation, construction and management. In deep geological disposal site, permeability of rock mass should be extremely lower than conventional civil engineering field, and natural piezometric pressure should be much higher than conventional groundwater monitoring in civil engineering. So, pressure measuring device should have wide measuring range and high precision especially for interference hydraulic test in investigation stage. And, simultaneous pressure measurement in plural points would be required for cost minimization. Recently, some kinds of multi-point pressure monitoring system has been presented. However, most of all system requires borehole with large diameter, and for utilization in plural boreholes, centralized sensor control is very difficult. And, in groundwater sampling for geochemical investigation, it is important to keep original chemical condition through sampling and transportation from sampling depth to surface. For these purposes, the authors have developed multi well multi point piezometric pressure measuring device, and groundwater sampling system for 1,000m depth. (author)

  20. Uruguay mining inventory. Geochemical prospecting results of the Las Flores aerial map

    International Nuclear Information System (INIS)

    Zeegers, H.; Bonnefoy, D.; Garau, M.; Spangenberg, J.

    1981-01-01

    In the context of the Uruguay mining inventory, the aerial photography map Las Flores had been covered by a specific strategic which included geochemical prospecting elements. The surface covered has the 550 km2, and 1042 samples which they have been analized in Orleans France. 22 elements by plasma spectroscopy and gold by atomic absorption and for uranium laser spectroscopy . They have been evidenced the following anomalies: gold, Pb, Pb-Ba-Cu, Ba and Ni-Cr

  1. Mars Geochemical Instrument (MarGI): An instrument for the analysis of the Martian surface and the search for evidence of life

    Science.gov (United States)

    Kojiro, Daniel R.; Mancinelli, Rocco; Martin, Joe; Holland, Paul M.; Stimac, Robert M.; Kaye, William J.

    2005-01-01

    The Mars Geochemical Instrument, MarGI, was developed to provide a comprehensive analysis of the rocks and surface material on Mars. The instrument combines Differential Thermal Analysis (DTA) with miniature Gas Chromatography-Ion Mobility Spectrometry (GC-IMS) to identify minerals, the presence and state of water, and organic compounds. Miniature pyrolysis ovens are used to both, conduct DTA analysis of soil or crushed rocks samples, and pyrolyze the samples at temperatures up to 1000 degrees C for GC-IMS analysis of the released gases. This combination of analytical processes and techniques, which can characterize the mineralogy of the rocks and soil, and identify and quantify volatiles released during pyrolysis, has applications across a wide range of target sites including comets, planets, asteroids, and moons such as Titan and Europa. The MarGI analytical approach evolved from the Cometary Ice and Dust Experiment (CIDEX) selected to fly on the Comet Rendezvous Asteroid Flyby Mission (CRAF).

  2. Extension of the EQ3/6 computer codes to geochemical modeling of brines

    Energy Technology Data Exchange (ETDEWEB)

    Jackson, K.J.; Wolery, T.J.

    1984-10-23

    Recent modifications to the EQ3/6 geochemical modeling software package provide for the use of Pitzer's equations to calculate the activity coefficients of aqueous species and the activity of water. These changes extend the range of solute concentrations over which the codes can be used to dependably calculate equilibria in geochemical systems, and permit the inclusion of ion pairs, complexes, and undissociated acids and bases as explicit component species in the Pitzer model. Comparisons of calculations made by the EQ3NR and EQ6 compuer codes with experimental data confirm that the modifications not only allow the codes to accurately evaluate activity coefficients in concentrated solutions, but also permit prediction of solubility limits of evaporite minerals in brines at 25/sup 0/C and elevated temperatures. Calculations for a few salts can be made at temperatures up to approx. 300/sup 0/C, but the temperature range for most electrolytes is constrained by the availability of requisite data to values less than or equal to 100/sup 0/C. The implementation of Pitzer's equations in EQ3/6 allows application of these codes to problems involving calculation of geochemical equilibria in brines; such as evaluation of the chemical environment which might be anticipated for nuclear waste canisters located in a salt repository. 26 references, 3 figures, 1 table.

  3. Surface complexation of carbonate on goethite: IR spectroscopy, structure & charge distribution

    NARCIS (Netherlands)

    Hiemstra, T.; Rahnemaie, R.; Riemsdijk, van W.H.

    2004-01-01

    The adsorption of carbonate on goethite has been evaluated, focussing on the relation between the structure of the surface complex and corresponding adsorption characteristics, like pH dependency and proton co-adsorption. The surface structure of adsorbed CO3-2 has been assessed with (1) a

  4. Orientation geochemical survey for uranium exploration using 230Th

    International Nuclear Information System (INIS)

    Xia Dingliang.

    1985-01-01

    The distribution of 230 Th in soils, rocks and ores and its relationship with respect to uranium ore formation are discussed for its possible use in geochemical exploration for U. 230 Th, U and Ra, being members of the same decay series, are different in their geochemical behavior upon which the study is orientated. Twenty uranium deposits and occurrences located in western and southern Hunan province are tested. Geochemical data obtained are comprehensively correlated. It is suggested that 230 Th is useful not only in U-Ra disequilibrium study but also in understanding the geochemical evolution of U ores. The data aid to interpret the genesis of uranium deposits and to assess the radioactive anomalies and uranium-bearing zones. Therefore, it can be adopted as a tool for searching in deep-buried uranium ores. The field procedure is rather simple and flexible to meet any geological environment. It is easy to read out and is less influnced by any kind of interference. In case of disequilibrium caused by oxidation and reduction during the period of ore formation it still gives good indication compared with that of radiometry, radonmetry and geochemical sampling for U

  5. Complex burrows of the mud shrimp Callianassa truncata and their geochemical impact in the sea bed

    DEFF Research Database (Denmark)

    Ziebis, W.; Forster, S.; Huettel, M.

    1996-01-01

    the overlying water and rapid consumption within the sea bed, Macrofauna organisms living within the sea bed affect the physical structure of the sea floor, its chemical zonations and the exchange processes across the sediment-water interface(3,4). Thalassinidean mud-shrimps are often abundant in tropical......). Here we report the use of a diver observatory within the seabed, along with in situ measurements, to assess the geochemical impact of the mud-shrimp Callianassa truncata Giard and Bonnier (Decapoda, Thalassinidea), a species that commonly inhabits sandy sediments in the Mediterranean sea....

  6. PHAST Version 2-A Program for Simulating Groundwater Flow, Solute Transport, and Multicomponent Geochemical Reactions

    Science.gov (United States)

    Parkhurst, David L.; Kipp, Kenneth L.; Charlton, Scott R.

    2010-01-01

    The computer program PHAST (PHREEQC And HST3D) simulates multicomponent, reactive solute transport in three-dimensional saturated groundwater flow systems. PHAST is a versatile groundwater flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. Major enhancements in PHAST Version 2 allow spatial data to be defined in a combination of map and grid coordinate systems, independent of a specific model grid (without node-by-node input). At run time, aquifer properties are interpolated from the spatial data to the model grid; regridding requires only redefinition of the grid without modification of the spatial data. PHAST is applicable to the study of natural and contaminated groundwater systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock/water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, or density-dependent flow. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux (specified-flux), and leaky (head-dependent) conditions, as well as the special cases of rivers, drains, and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association or Pitzer specific interaction thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, ion exchange sites, surface complexation sites, solid solutions, and gases; and

  7. Sharp fronts within geochemical transport problems

    International Nuclear Information System (INIS)

    Grindrod, P.

    1995-01-01

    The authors consider some reactive geochemical transport problems in groundwater systems. When incoming fluid is in disequilibrium with the mineralogy sharp transition fronts may develop. They show that this is a generic property for a class of systems where the timescales associated with reaction and diffusion phenomena are much shorter than those associated with advective transport. Such multiple timescale problems are relevant to a variety of processes in natural systems: mathematically methods of singular perturbation theory reduce the dimension of the problems to be solved locally. Furthermore, they consider how spatial heterogeneous mineralogy can impact upon the propagation of sharp geochemical fronts. The authors developed an asymptotic approach in which they solve equations for the evolving geometry of the front and indicate how the non-smooth perturbations due to natural heterogeneity of the mineralogy on underlying ground water flow field are balanced against the smoothing effect of diffusion/dispersive processes. Fronts are curvature damped, and the results here indicate the generic nature of separate front propagation within both model (idealized) and natural (heterogeneous) geochemical systems

  8. Geochemical porosity values obtained in core samples from different clay-rocks

    International Nuclear Information System (INIS)

    Fernandez, A.M.

    2010-01-01

    . The Cl porosity is lower than the total physical porosity, because clays have different types of water (interlayer water, adsorbed water and free water), and ions can be affected by anionic exclusion processes. The geochemical porosity includes only the free water and some of the diffuse layer and surface-sorbed water; while the total physical porosity includes both the external and interlayer water. In order to calculate the Cl or geochemical porosity (n cl ), a relationship was used, which relates leaching data and the chloride content of the pore water extracted by the squeezing technique. Aqueous leaching tests were performed at anoxic conditions in order to obtain the chloride inventory in different core samples from each argillaceous formation. Besides, the chemical composition of the pore water was obtained by squeezing at high pressures. Taking into account the measured physical properties of the rock samples, such as water content, dry density, total porosity and degree of saturation; the geochemical porosity was calculated by using the above relationship. For Boom Clay core samples, the mean Cl porosity/water loss porosity ratio is 0.81. In the case of Opalinus Clay, the mean Cl porosity/water loss porosity ratio is 0.59. In Mont Terri core samples, this ratio ranges from 0.5 to 0.7, although a value of 0.55 is frequently used. As conclusion, for indurated mud-rock formations (Callovo-Oxfordian and Opalinus Clay), the mean geochemical porosity obtained was around 8-10 %vol. (0.5-0.6 porosity ratio), whereas in the plastic Boom Clay the geochemical porosity was around 29 %vol. (0.8 porosity ratio)

  9. Surface Complexation of Neptunium(V) with Goethite

    International Nuclear Information System (INIS)

    Jerden, James L.; Kropf, A. Jeremy

    2007-01-01

    Batch adsorption experiments in which neptunium-bearing solutions were reacted with goethite (alpha-FeOOH) have been performed to study uptake mechanisms in sodium chloride and calcium-bearing sodium silicate solutions. This paper presents results identifying and quantifying the mechanisms by which neptunium is adsorbed as a function of pH and reaction time (aging). Also presented are results from tests in which neptunium is reacted with goethite in the presence of other cations (uranyl and calcium) that may compete with neptunium for sorption sites. The desorption of neptunium from goethite has been studied by re-suspending the neptunium-loaded goethite samples in solutions containing no neptunium. Selected reacted sorbent samples were analyzed by x-ray absorption spectroscopy (XAS) to determine the oxidation state and molecular speciation of the adsorbed neptunium. Results have been used to establish the pH adsorption edge of neptunium on goethite in sodium chloride and calcium-bearing sodium silicate solutions. The results indicate that neptunium uptake on goethite reaches 95% at a pH of approximately 7 and begins to decrease at pH values greater than 8.5. Distribution coefficients for neptunium sorption range from less than 1000 (moles/kg) sorbed / (moles/kg) solution at pH less than 5.0 to greater than 10,000 (moles/kg) sorbed / (moles/kg) solution at pH greater than 7.0. Distribution coefficients as high as 100,000 (moles/kg) sorbed / (moles/kg) solution were recorded for the tests done in calcite equilibrated sodium silicate solutions. XAS results show that neptunium complexes with the goethite surface mainly as Np(V) (although Np(IV) is prevalent in some of the longer-duration sorption tests). The neptunium adsorbed to goethite shows Np-O bond length of approximately 1.8 angstroms which is representative of the Np-O axial bond in the neptunyl(V) complex. This neptunyl(V) ion is coordinated to 5 or 6 equatorial oxygens with Np-O bond lengths of 2

  10. Significance of geochemical characterization to performance at Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Simmons, A.M.

    1993-01-01

    The U.S. concept for permanent disposal of high-level radioactive waste resembles those of other countries in that it relies upon burial in a deep geologic medium. This concept relies upon multiple barriers to retard transport of radionuclides to the accessible environment; those barriers consist of the waste form, waste container, engineered barrier system (including possible backfill) and retardant properties of the host rock. Because mobilization of radionuclides is fundamentally a geochemical problem, an understanding of past, present, and future geochemical processes is a requisite part of site characterization studies conducted by the U.S. Department of Energy at Yucca Mountain, Nevada. Geochemical information is needed for evaluating three favorable conditions (the rates of geochemical processes, conditions that promote precipitation or sorption of radionuclides or prohibit formation of colloids, and stable mineral assemblages) and four potentially adverse conditions of the site (groundwater conditions that could increase the chemical reactivity of the engineered barried system or reduce sorption, potential for gaseous radionuclide movement, and oxidizing groundwaters) for key issues of radionuclide release, groundwater quality, and stability of the geochemical environment. Preliminary results of long-term heating experiments indicate that although zeolites can be modified by long-term, low temperature reactions, their beneficial sorptive properties will not be adversely affected. Mineral reactions will be controlled by the aqueous activity of silica in groundwater with which the minerals are in contact. Geochemical barriers alone may satisfy release requirements to the accessible environment for many radionuclides; however, additional site specific geochemical and mineralogical data are needed to test existing and future radionuclide transport models

  11. Modeling the surface tension of complex, reactive organic-inorganic mixtures

    Science.gov (United States)

    Schwier, A. N.; Viglione, G. A.; Li, Z.; McNeill, V. Faye

    2013-11-01

    Atmospheric aerosols can contain thousands of organic compounds which impact aerosol surface tension, affecting aerosol properties such as heterogeneous reactivity, ice nucleation, and cloud droplet formation. We present new experimental data for the surface tension of complex, reactive organic-inorganic aqueous mixtures mimicking tropospheric aerosols. Each solution contained 2-6 organic compounds, including methylglyoxal, glyoxal, formaldehyde, acetaldehyde, oxalic acid, succinic acid, leucine, alanine, glycine, and serine, with and without ammonium sulfate. We test two semi-empirical surface tension models and find that most reactive, complex, aqueous organic mixtures which do not contain salt are well described by a weighted Szyszkowski-Langmuir (S-L) model which was first presented by Henning et al. (2005). Two approaches for modeling the effects of salt were tested: (1) the Tuckermann approach (an extension of the Henning model with an additional explicit salt term), and (2) a new implicit method proposed here which employs experimental surface tension data obtained for each organic species in the presence of salt used with the Henning model. We recommend the use of method (2) for surface tension modeling of aerosol systems because the Henning model (using data obtained from organic-inorganic systems) and Tuckermann approach provide similar modeling results and goodness-of-fit (χ2) values, yet the Henning model is a simpler and more physical approach to modeling the effects of salt, requiring less empirically determined parameters.

  12. Toroidal surface complexes of bacteriophage φ12 are responsible for host-cell attachment

    International Nuclear Information System (INIS)

    Leo-Macias, Alejandra; Katz, Garrett; Wei Hui; Alimova, Alexandra; Katz, A.; Rice, William J.; Diaz-Avalos, Ruben; Hu Guobin; Stokes, David L.; Gottlieb, Paul

    2011-01-01

    Cryo-electron tomography and subtomogram averaging are utilized to determine that the bacteriophage φ12, a member of the Cystoviridae family, contains surface complexes that are toroidal in shape, are composed of six globular domains with six-fold symmetry, and have a discrete density connecting them to the virus membrane-envelope surface. The lack of this kind of spike in a reassortant of φ12 demonstrates that the gene for the hexameric spike is located in φ12's medium length genome segment, likely to the P3 open reading frames which are the proteins involved in viral-host cell attachment. Based on this and on protein mass estimates derived from the obtained averaged structure, it is suggested that each of the globular domains is most likely composed of a total of four copies of P3a and/or P3c proteins. Our findings may have implications in the study of the evolution of the cystovirus species in regard to their host specificity. - Research Highlights: → Subtomogram averaging reveals enhanced detail of a φ12 cystovirus surface protein complex. → The surface protein complex has a toroidal shape and six-fold symmetry. → It is encoded by the medium-size genome segment. → The proteins of the surface complex most likely are one copy of P3a and three copies of P3c.

  13. Geochemical and mineralogical analysis of stone anchors from west coast of India: Provenance study using thin sections, XRF and SEM-EDS

    Digital Repository Service at National Institute of Oceanography (India)

    Tripati, S.; Mudholkar, A.V.; Vora, K.H.; Rao, B.R.; Gaur, A.S.; Sundaresh

    for petrographical and geochemical analysis. One surface of the rock chip was ground to finesmoothnessandwasmountedontotheglassslidewithhelp of Araldite C210 (resin & hardner) and then clamped to prevent developmentof air bubbles. After overnight cooling and curing...

  14. Robust statistics and geochemical data analysis

    International Nuclear Information System (INIS)

    Di, Z.

    1987-01-01

    Advantages of robust procedures over ordinary least-squares procedures in geochemical data analysis is demonstrated using NURE data from the Hot Springs Quadrangle, South Dakota, USA. Robust principal components analysis with 5% multivariate trimming successfully guarded the analysis against perturbations by outliers and increased the number of interpretable factors. Regression with SINE estimates significantly increased the goodness-of-fit of the regression and improved the correspondence of delineated anomalies with known uranium prospects. Because of the ubiquitous existence of outliers in geochemical data, robust statistical procedures are suggested as routine procedures to replace ordinary least-squares procedures

  15. Coupling of transport and geochemical models

    International Nuclear Information System (INIS)

    Noy, D.J.

    1985-01-01

    This contract stipulated separate pieces of work to consider mass transport in the far-field of a repository, and more detailed geochemical modelling of the groundwater in the near-field. It was envisaged that the far-field problem would be tackled by numerical solutions to the classical advection-diffusion equation obtained by the finite element method. For the near-field problem the feasibility of coupling existing geochemical equilibrium codes to the three dimensional groundwater flow codes was to be investigated. This report is divided into two sections with one part devoted to each aspect of this contract. (author)

  16. Geochemical record of Holocene to Recent sedimentation on the Western Indus continental shelf, Arabian Sea

    Science.gov (United States)

    Limmer, David R.; BöNing, Philipp; Giosan, Liviu; Ponton, Camilo; KöHler, Cornelia M.; Cooper, Matthew J.; Tabrez, Ali R.; Clift, Peter D.

    2012-01-01

    We present a multiproxy geochemical analysis of two cores recovered from the Indus Shelf spanning the Early Holocene to Recent (<14 ka). Indus-23 is located close to the modern Indus River, while Indus-10 is positioned ˜100 km further west. The Holocene transgression at Indus-10 was over a surface that was strongly weathered during the last glacial sea level lowstand. Lower Holocene sediments at Indus-10 have higherɛNdvalues compared to those at the river mouth indicating some sediment supply from the Makran coast, either during the deposition or via reworking of older sediments outcropping on the shelf. Sediment transport from Makran occurred during transgressive intervals when sea level crossed the mid shelf. The sediment flux from non-Indus sources to Indus-10 peaked between 11 ka and 8 ka. A hiatus at Indus-23 from 8 ka until 1.3 ka indicates non-deposition or erosion of existing Indus Shelf sequences. HigherɛNdvalues seen on the shelf compared to the delta imply reworking of older delta sediments in building Holocene clinoforms. Chemical Index of Alteration (CIA), Mg/Al and Sr isotopes are all affected by erosion of detrital carbonate, which reduced through the Holocene. K/Al data suggest that silicate weathering peaked ca. 4-6 ka and was higher at Indus-10 compared to Indus-23. Fine-grained sediments that make up the shelf have geochemical signatures that are different from the coarser grained bulk sediments measured in the delta plain. The Indus Shelf data highlight the complexity of reconstructing records of continental erosion and provenance in marine settings.

  17. Expected Geochemical and Mineralogical Properties of Meteorites from Mercury: Inferences from Messenger Data

    Science.gov (United States)

    McCubbin, F. M.; McCoy, T. J.

    2016-01-01

    Meteorites from the Moon, Mars, and many types of asteroid bodies have been identified among our global inventory of meteorites, however samples of Mercury and Venus have not been identified. The absence of mercurian and venusian meteorites could be attributed to an inability to recognize them in our collections due to a paucity of geochemical information for Venus and Mercury. In the case of mercurian meteorites, this possibility is further supported by dynamical calculations that suggest mercurian meteorites should be present on Earth at a factor of 2-3 less than meteorites from Mars [1]. In the present study, we focus on the putative mineralogy of mercurian meteorites using data obtained from the MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft, which has provided us with our first quantitative constraints on the geochemistry of planet Mercury. We have used the MESSENGER data to compile a list of mineralogical and geochemical characteristics that a meteorite from Mercury is likely to exhibit.

  18. Integrated geophysical-geochemical methods for archaeological prospecting

    OpenAIRE

    Persson, Kjell

    2005-01-01

    A great number of field measurements with different methods and instruments were conducted in attempts to develop a method for an optimal combination of various geochemical and geophysical methods in archaeological prospecting. The research presented in this thesis focuses on a study of how different anthropogenic changes in the ground can be detected by geochemical and geophysical mapping and how the results can be presented. A six-year pilot project, Svealand in Vendel and Viking periods (S...

  19. Surface complexation modeling calculation of Pb(II) adsorption onto the calcined diatomite

    Science.gov (United States)

    Ma, Shu-Cui; Zhang, Ji-Lin; Sun, De-Hui; Liu, Gui-Xia

    2015-12-01

    Removal of noxious heavy metal ions (e.g. Pb(II)) by surface adsorption of minerals (e.g. diatomite) is an important means in the environmental aqueous pollution control. Thus, it is very essential to understand the surface adsorptive behavior and mechanism. In this work, the Pb(II) apparent surface complexation reaction equilibrium constants on the calcined diatomite and distributions of Pb(II) surface species were investigated through modeling calculations of Pb(II) based on diffuse double layer model (DLM) with three amphoteric sites. Batch experiments were used to study the adsorption of Pb(II) onto the calcined diatomite as a function of pH (3.0-7.0) and different ionic strengths (0.05 and 0.1 mol L-1 NaCl) under ambient atmosphere. Adsorption of Pb(II) can be well described by Freundlich isotherm models. The apparent surface complexation equilibrium constants (log K) were obtained by fitting the batch experimental data using the PEST 13.0 together with PHREEQC 3.1.2 codes and there is good agreement between measured and predicted data. Distribution of Pb(II) surface species on the diatomite calculated by PHREEQC 3.1.2 program indicates that the impurity cations (e.g. Al3+, Fe3+, etc.) in the diatomite play a leading role in the Pb(II) adsorption and dominant formation of complexes and additional electrostatic interaction are the main adsorption mechanism of Pb(II) on the diatomite under weak acidic conditions.

  20. A geochemical and geophysical reappraisal to the significance of the recent unrest at Campi Flegrei caldera (Southern Italy)

    Science.gov (United States)

    Moretti, Roberto; De Natale, Giuseppe; Troise, Claudia

    2017-04-01

    Volcanic unrest at calderas involve complex interaction between magma, hydrothermal fluids and crustal stress and strain. Campi Flegrei caldera (CFc), located in the Naples (Italy) area and characterised by the highest volcanic risk on Earth for the extreme urbanisation, undergoes unrest phenomena involving several meters of uplift and intense shallow micro-seismicity since several decades. Despite unrest episodes display in the last decade only moderate ground deformation and seismicity, current interpretations of geochemical data point to a highly pressurized hydrothermal system. We show that at CFc, the usual assumption of vapour-liquid coexistence in the fumarole plumes leads to largely overestimated hydrothermal pressures and, accordingly, interpretations of elevated unrest. By relaxing unconstrained geochemical assumptions, we infer an alternative model yielding better agreement between geophysical and geochemical observations. The model reconciles discrepancies between what observed 1) for two decades since the 1982-84 large unrest, when shallow magma was supplying heat and fluids to the hydrothermal system, and 2) in the last decade. Compared to the 1980's unrest, the post-2005 phenomena are characterized by much lower aquifers overpressure and magmatic involvement, as indicated by geophysical data and despite large changes in geochemical indicators. Our interpretation points out a model in which shallow sills, intruded during 1969-1984, have completely cooled, so that fumarole emissions are affected now by deeper, CO2-richer, magmatic gases producing a relatively modest heating and overpressure of the hydrothermal system. Our results do have important implications on the short-term eruption hazard assessment and on the best strategies for monitoring and interpreting geochemical data.

  1. Geochemical prospect ion results of Treinta y Tres aerial photo

    International Nuclear Information System (INIS)

    Zeegers, H.; Bonnefoy, D.; Garau, M.; Spangenberg, J.

    1981-01-01

    This report shows the geochemical prospect ion results carried out within the framework of the multielemental geochemical strategy. The samples were studied by e spectrometry in the laboratories of Orleans.

  2. Anthropogenic Increase Of Soil Erosion In The Gangetic Plain Revealed By Geochemical Budget Of Erosion

    Science.gov (United States)

    Galy, V.; France-Lanord, C.; Galy, A.; Gaillardet, J.

    2007-12-01

    Tectonic and climatic factors are the key natural variables controlling the erosion through complex interactions. Nonetheless, over the last few hundred years, human activity also exerts a dominant control in response to extensive land use. The geochemical budget of erosion allows the balance between the different erosion processes to be quantified. The chemical composition of river sediment results from the chemical composition of the source rock modified by (1) weathering reactions occurring during erosion and (2) physical segregation during transport. If erosion is at steady state, the difference between the chemical composition of source rocks and that of river sediments must therefore be counterbalanced by the dissolved flux. However, climatic variations or anthropic impact can induce changes in the erosion distribution in a given basin resulting in non steady state erosion. Using a mass balance approach, the comparison of detailed geochemical data on river sediments with the current flux of dissolved elements allows the steady state hypothesis to be tested. In this study, we present a geochemical budget of weathering for the Ganga basin, one of the most densely populated basin in the world, based on detailed sampling of Himalayan rivers and of the Ganga in the delta. Sampling includes depth profile in the river, to assess the variability generated by transport processes. Himalayan river sediments are described by the dilution of an aluminous component (micas + clays + feldspars) by quartz. Ganga sediments on the other hand correspond to the mixing of bedload, similar to coarse Himalayan sediments, with an aluminous component highly depleted in alkaline elements. Compared with the dissolved flux, the depletion of alkaline elements in Ganga sediments shows that the alkaline weathering budget is imbalanced. This imbalance results from an overabundance of fine soil material in the Ganga sediment relative to other less weathered material directly derived from

  3. Self-Organization during Friction in Complex Surface Engineered Tribosystems

    Directory of Open Access Journals (Sweden)

    Ben D. Beake

    2010-02-01

    Full Text Available Self-organization during friction in complex surface engineered tribosystems is investigated. The probability of self-organization in these complex tribosystems is studied on the basis of the theoretical concepts of irreversible thermodynamics. It is shown that a higher number of interrelated processes within the system result in an increased probability of self-organization. The results of this thermodynamic model are confirmed by the investigation of the wear performance of a novel Ti0.2Al0.55Cr0.2Si0.03Y0.02N/Ti0.25Al0.65Cr0.1N (PVD coating with complex nano-multilayered structure under extreme tribological conditions of dry high-speed end milling of hardened H13 tool steel.

  4. Magmatic Complexes of the Vetlovaya Marginal Sea Paleobasin (Kamchatka): Composition and Geodynamic Setting

    Science.gov (United States)

    Tsukanov, N. V.; Saveliev, D. P.; Kovalenko, D. V.

    2018-01-01

    This study presents new geochemical and isotope data on igneous rocks of the Vetlovaya marginal sea paleobasin (part of the Late Mesozoic-Cenozoic margin of the northwestern Pacific). The results show that the rock complexes of this marginal sea basin comprise igneous rocks with geochemical compositions similar to those of normal oceanic tholeiites, enriched transitional tholeiites, and ocean island and back-arc basin basalts. Island-arc tholeiitic basalts are present only rarely. The specific geochemical signatures of these rocks are interpreted as being related to mantle heterogeneity and the geodynamic conditions in the basin.

  5. Geochemical Interactions and Viral-Prokaryote Relationships in Freshwater Environments

    Science.gov (United States)

    Kyle, J. E.; Ferris, G.

    2009-05-01

    Viral and prokaryotic abundances were surveyed throughout southern Ontario aquatic habitats to determine relationships with geochemical parameters in the natural environment. Surface water samples were collected from acid mine drainage in summer of 2007 and 2008 and from circum-neutral pH environments in October to November 2008. Site determination was based on collecting samples from various aquatic habitats (acid mine drainage, lakes, rivers, tributaries, wetlands) with differing bedrock geology (limestone and shale dominated vs granitic Canadian Shield) to obtain a range of geochemical conditions. At each site, measurements of temperature, pH, and Eh were conducted. Samples collected for microbial counts and electron imaging were preserved to a final concentration of 2.5 % (v/v) glutaraldehyde. Additional sample were filtered into 60 mL nalgene bottles and amber EPA certified 40 mL glass vials to determine chemical constituents and dissolved organic carbon (DOC), respectively. Water was also collected to determine additional physiochemical parameters (dissolved total iron, ferric iron, nitrate, sulfate, phosphate, alkalinity, and turbidity). All samples were stored at 4 °C until analysis. Viral and prokaryotic abundance was determined by staining samples with SYBR Green I and examining with a epifluorescence microscope under blue excitation. Multiple regression analysis using stepwise backwards regression and general linear models revealed that viral abundance was the most influential predictor of prokaryotic abundance. Additional predictors include pH, sulfate, phosphate, and magnesium. The strength of the model was very strong with 90 % of the variability explained (R2 = 0.90, p < 0.007). This is the first report, to our knowledge, of viruses exhibiting such strong controls over prokaryotic abundance in the natural environment. All relationships are positively correlated with the exception of Mg, which is negatively correlated. Iron was also noted as a

  6. Cork-resin ablative insulation for complex surfaces and method for applying the same

    Science.gov (United States)

    Walker, H. M.; Sharpe, M. H.; Simpson, W. G. (Inventor)

    1980-01-01

    A method of applying cork-resin ablative insulation material to complex curved surfaces is disclosed. The material is prepared by mixing finely divided cork with a B-stage curable thermosetting resin, forming the resulting mixture into a block, B-stage curing the resin-containing block, and slicing the block into sheets. The B-stage cured sheet is shaped to conform to the surface being insulated, and further curing is then performed. Curing of the resins only to B-stage before shaping enables application of sheet material to complex curved surfaces and avoids limitations and disadvantages presented in handling of fully cured sheet material.

  7. Geochemical behaviour of natural uranium-series nuclides in geological formation

    International Nuclear Information System (INIS)

    Yamakawa, Minoru

    1991-01-01

    Recent research and investigation show that the Tono uranium deposit and its natural uranium-series nuclides have been preserved, without any significant changes like re-migration or reconcentration, throughout geological events such as upheaval-submergence, marine transgression-regression, and faulting which can readily change geological, hydrogeological, and geochemical conditions. This situation might have come about as a result of being kept in a geometrical closure system, with reducing and milk alkalic geochemical conditions, from the hydrogeological and geochemical point of view. (author)

  8. Geochemical prospecting for thorium and uranium deposits

    International Nuclear Information System (INIS)

    Boyle, R.W.

    1982-01-01

    The basic purpose of this book is to present an analysis of the various geochemical methods applicable in the search for all types of thorium and uranium deposits. The general chemistry and geochemistry of thorium and uranium are briefly described in the opening chapter, and this is followed by a chapter on the deposits of the two elements with emphasis on their indicator (pathfinder) elements and on the primary and secondary dispersion characteristics of thorium and uranium in the vicinity of their deposits. The next seven chapters form the main part of the book and describe geochemical prospecting for thorium and uranium, stressing selection of areas in which to prospect, radiometric surveys, analytical geochemical surveys based on rocks (lithochemical surveys), unconsolidated materials (pedochemical surveys), natural waters and sediments (hydrochemical surveys), biological materials (biogeochemical surveys), gases (atmochemical surveys), and miscellaneous methods. A final brief chapter reviews radiometric and analytical methods for the detection and estimation of thorium and uranium. (Auth.)

  9. Surface complexation of neptunium (V) onto whole cells and cell componets of Shewanella alga

    Energy Technology Data Exchange (ETDEWEB)

    Reed, Donald Timothy [Los Alamos National Laboratory; Deo, Randhir P [ASU; Rittmann, Bruce E [ASU; Songkasiri, Warinthorn [UNAFFILIATED

    2008-01-01

    We systematically quantified surface complexation of neptunium(V) onto whole cells of Shewanella alga strain BrY and onto cell wall and extracellular polymeric substances (EPS) of S. alga. We first performed acid and base titrations and used the mathematical model FITEQL with constant-capacitance surface-complexation to determine the concentrations and deprotonation constants of specific surface functional groups. Deprotonation constants most likely corresponded to a carboxyl site associated with amino acids (pK{sub a} {approx} 2.4), a carboxyl group not associated with amino acids (pK{sub a} {approx} 5), a phosphoryl site (pK{sub a} {approx} 7.2), and an amine site (pK{sub a} > 10). We then carried out batch sorption experiments with Np(V) and each of the S. alga components at different pHs. Results show that solution pH influenced the speciation of Np(V) and each of the surface functional groups. We used the speciation sub-model of the biogeochemical model CCBATCH to compute the stability constants for Np(V) complexation to each surface functional group. The stability constants were similar for each functional group on S. alga bacterial whole cells, cell walls, and EPS, and they explain the complicated sorption patterns when they are combined with the aqueous-phase speciation of Np(V). For pH < 8, NpO{sub 2}{sup +} was the dominant form of Np(V), and its log K values for the low-pK{sub a} carboxyl, other carboxyl, and phosphoryl groups were 1.75, 1.75, and 2.5 to 3.1, respectively. For pH greater than 8, the key surface ligand was amine >XNH3+, which complexed with NpO{sub 2}(CO{sub 3}){sub 3}{sup 5-}. The log K for NpO{sub 2}(CO{sub 3}){sub 3}{sup 5-} complexed onto the amine groups was 3.1 to 3.6. All of the log K values are similar to those of Np(V) complexes with aqueous carboxyl and N-containing carboxyl ligands. These results point towards the important role of surface complexation in defining key actinide-microbiological interactions in the subsurface.

  10. Adsorption of uranium(VI) to manganese oxides: X-ray absorption spectroscopy and surface complexation modeling.

    Science.gov (United States)

    Wang, Zimeng; Lee, Sung-Woo; Catalano, Jeffrey G; Lezama-Pacheco, Juan S; Bargar, John R; Tebo, Bradley M; Giammar, Daniel E

    2013-01-15

    The mobility of hexavalent uranium in soil and groundwater is strongly governed by adsorption to mineral surfaces. As strong naturally occurring adsorbents, manganese oxides may significantly influence the fate and transport of uranium. Models for U(VI) adsorption over a broad range of chemical conditions can improve predictive capabilities for uranium transport in the subsurface. This study integrated batch experiments of U(VI) adsorption to synthetic and biogenic MnO(2), surface complexation modeling, ζ-potential analysis, and molecular-scale characterization of adsorbed U(VI) with extended X-ray absorption fine structure (EXAFS) spectroscopy. The surface complexation model included inner-sphere monodentate and bidentate surface complexes and a ternary uranyl-carbonato surface complex, which was consistent with the EXAFS analysis. The model could successfully simulate adsorption results over a broad range of pH and dissolved inorganic carbon concentrations. U(VI) adsorption to synthetic δ-MnO(2) appears to be stronger than to biogenic MnO(2), and the differences in adsorption affinity and capacity are not associated with any substantial difference in U(VI) coordination.

  11. The spatial geochemical characteristics of groundwater and surface in the Tuul River basin, Ulaanbatar, Mongolia

    Science.gov (United States)

    Batdelger, Odsuren; Tsujimura, Maki; Zorigt, Byambasuren; Togtokh, Enkhjargal

    2017-04-01

    The capital city, Ulaanbaatar, is located along the Tuul River and its water supply totally dependent on the groundwater, which comes from the aquifer of the Tuul River. Due to the rapid growth of the population and the increasing human pressures in this basin, water quality has been deteriorating and has become a crucial issue for sustainable environmental and socio-economic development. Hydro-chemical and stable isotope tracing approaches were applied into the groundwater and surface water in order to study geochemical characteristics and groundwater and surface water interaction. The Tuul River water was mostly characterized by the Ca-HCO3 type, spatially variable and it changed into Ca-Na-HCO3 type in the downstream of the city after wastewater (WW) meets the river. Also, electrical conductivity (EC) values of Tuul River are increasing gradually with distance and it increased more than 2 times after WW meets the stream, therefore anthropogenic activities influence to the downstream of the river. The dominant hydro-chemical facies of groundwater were the Ca-HCO3 type, which represents 83% of the total analyzed samples, while Ca- HCO3-Cl-NO3, Na-HCO3, Ca-HCO3-SO4 each represent 4%, and Ca-mixed and Ca-Mg-HCO3 each represent 2% of the total samples. This suggests that groundwater chemistry is controlled by rock-water interaction and anthropogenic pollution. The floodplain groundwater chemical characteristics were similar to Tuul River water and showing lowest EC values. Groundwater far from floodplain showed higher EC (mean value of 498 μs/cm) values than river waters and floodplain groundwater. Also, different kinds of hydro-chemical facies were observed. The stable isotopic compositions revealed less evaporation effect on the groundwater and surface water, as well as an altitude effect in the river water. The similarity of stable isotopes and chemical characteristics of floodplain groundwater and river water suggests that alluvial groundwater is recharged by

  12. Zinc surface complexes on birnessite: A density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, Kideok D.; Refson, Keith; Sposito, Garrison

    2009-01-05

    Biogeochemical cycling of zinc is strongly influenced by sorption on birnessite minerals (layer-type MnO2), which are found in diverse terrestrial and aquatic environments. Zinc has been observed to form both tetrahedral (Zn{sup IV}) and octahedral (Zn{sup VI}) triple-corner-sharing surface complexes (TCS) at Mn(IV) vacancy sites in hexagonal birnessite. The octahedral complex is expected to be similar to that of Zn in the Mn oxide mineral, chalcophanite (ZnMn{sub 3}O{sub 7} {center_dot} 3H{sub 2}O), but the reason for the occurrence of the four-coordinate Zn surface species remains unclear. We address this issue computationally using spin-polarized Density Functional Theory (DFT) to examine the Zn{sub IV}-TCS and Zn{sup VI}-TCS species. Structural parameters obtained by DFT geometry optimization were in excellent agreement with available experimental data on Zn-birnessites. Total energy, magnetic moments, and electron-overlap populations obtained by DFT for isolated Zn{sup IV}-TCS revealed that this species is stable in birnessite without a need for Mn(III) substitution in the octahedral sheet and that it is more effective in reducing undersaturation of surface O at a Mn vacancy than is Zn{sub VI}-TCS. Comparison between geometry-optimized ZnMn{sub 3}O{sub 7} {center_dot} 3H{sub 2}O (chalcophanite) and the hypothetical monohydrate mineral, ZnMn{sub 3}O{sub 7} {center_dot} H{sub 2}O, which contains only tetrahedral Zn, showed that the hydration state of Zn significantly affects birnessite structural stability. Finally, our study also revealed that, relative to their positions in an ideal vacancy-free MnO{sub 2}, Mn nearest to Zn in a TCS surface complex move toward the vacancy by 0.08-0.11 {angstrom}, while surface O bordering the vacancy move away from it by 0.16-0.21 {angstrom}, in agreement with recent X-ray absorption spectroscopic analyses.

  13. Surface complexation of selenite on goethite: MO/DFT geometry and charge distribution

    NARCIS (Netherlands)

    Hiemstra, T.; Rietra, R.P.J.J.; Riemsdijk, van W.H.

    2007-01-01

    The adsorption of selenite on goethite (alpha-FeOOH) has been analyzed with the charge distribution (CD) and the multi-site surface complexation (MUSIC) model being combined with an extended Stem (ES) layer model option. The geometry of a set of different types of hydrated iron-selenite complexes

  14. Surface Complexation Modeling in Variable Charge Soils: Charge Characterization by Potentiometric Titration

    Directory of Open Access Journals (Sweden)

    Giuliano Marchi

    2015-10-01

    Full Text Available ABSTRACT Intrinsic equilibrium constants of 17 representative Brazilian Oxisols were estimated from potentiometric titration measuring the adsorption of H+ and OH− on amphoteric surfaces in suspensions of varying ionic strength. Equilibrium constants were fitted to two surface complexation models: diffuse layer and constant capacitance. The former was fitted by calculating total site concentration from curve fitting estimates and pH-extrapolation of the intrinsic equilibrium constants to the PZNPC (hand calculation, considering one and two reactive sites, and by the FITEQL software. The latter was fitted only by FITEQL, with one reactive site. Soil chemical and physical properties were correlated to the intrinsic equilibrium constants. Both surface complexation models satisfactorily fit our experimental data, but for results at low ionic strength, optimization did not converge in FITEQL. Data were incorporated in Visual MINTEQ and they provide a modeling system that can predict protonation-dissociation reactions in the soil surface under changing environmental conditions.

  15. Tectonic origin of serpentinites on Syros, Greece: Geochemical signatures of abyssal origin preserved in a HP/LT subduction complex

    Science.gov (United States)

    Cooperdock, Emily H. G.; Raia, Natalie H.; Barnes, Jaime D.; Stockli, Daniel F.; Schwarzenbach, Esther M.

    2018-01-01

    This study combines whole rock trace and major element geochemistry, and stable isotope (δD and δ18O) analyses with petrographic observations to deduce the origin and tectonic setting of serpentinization of ultramafic blocks from the exhumed HP/LT Aegean subduction complex on Syros, Greece. Samples are completely serpentinized and are characterized by mineral assemblages that consist of variable amounts of serpentine, talc, chlorite, and magnetite. δD and δ18O values of bulk rock serpentinite powders and chips (δD = - 64 to - 33‰ and δ18O = + 5.2 to + 9.0‰) reflect hydration by seawater at temperatures serpentinization by seawater, followed by secondary fluid-rock interactions with a sedimentary source pre- or syn-subduction. Whole rock major element, trace element, and REE analyses record limited melt extraction, exhibit flat REE patterns, and do not show pronounced Eu anomalies. The geochemical signatures preserved in these serpentinites argue against a mantle wedge source, as has been previously speculated for ultramafic rocks on Syros. Rather, the data are consistent with derivation from abyssal peridotites in a hyper-extended margin setting or mid-ocean ridge and fracture zone environment. In either case, the data suggest an extensional and/or oceanic origin associated with the Cretaceous opening of the Pindos Ocean and not a subduction-related derivation from the mantle wedge.

  16. Statistical interpretation of geochemical data

    International Nuclear Information System (INIS)

    Carambula, M.

    1990-01-01

    Statistical results have been obtained from a geochemical research from the following four aerial photographies Zapican, Carape, Las Canias, Alferez. They have been studied 3020 samples in total, to 22 chemical elements using plasma emission spectrometry methods.

  17. Energy-constrained open-system magmatic processes IV: Geochemical, thermal and mass consequences of energy-constrained recharge, assimilation and fractional crystallization (EC-RAFC)

    International Nuclear Information System (INIS)

    Wendy A. Bohrson Department of Geological Sciences, Central Washington University, Ellensburg, Washington, 98926, USA; Frank J. Spera Institute for Crustal Studies and Department of Geological Sciences, University of California, Santa Barbara, California, 93106, USA

    2003-01-01

    A wealth of geochemical and petrological data provide evidence that the processes of fractional crystallization, assimilation, and magma recharge (replenishment) dominate the chemical signatures of many terrestrial igneous rocks. Previous work [Spera and Bohrson, 2001 ; Bohrson and Spera, 2001] has established the importance of integrating energy, species and mass conservation into simulations of complex magma chamber processes. An extended version of the energy-constrained formulation, Energy-Constrained Recharge, Assimilation, Fractional Crystallization (EC-RAFC), tracks mass and compositional variations of melt, cumulates, and enclaves in a magma body undergoing simultaneous recharge, assimilation, and fractional crystallization [Spera and Bohrson, 2002]. Because many EC-RAFC results are distinct from those predicted by extant RAFC formulations, the primary goal of this paper is to present a range of geochemical and mass relationships for selected cases that highlight issues relevant to modern petrology. Among the plethora of petrologic problems that have important, well-documented analogues in nature are the geochemical distinctions that arise when a magma body undergoes continuous versus episodic recharge, the connection between erupted magmas and associated cumulate bodies, the behavior of recharge-fractionation dominated systems (RFC), thermodynamic conditions that promote the formation of enclaves versus cumulates, and the conditions under which magma bodies may be described as chemically homogeneous. Investigation of the effects of continuous versus episodic recharge for mafic magma undergoing RAFC in the lower crust indicates that the resulting geochemical trends for melt and solids are sensitive to the intensity and composition of recharge, suggesting that EC-RAFC may be used as a tool to distinguish the nature of the recharge events. Compared to the record preserved in melts, the geochemical and mass characteristics of solids associated with particular

  18. Chromate adsorption on selected soil minerals: Surface complexation modeling coupled with spectroscopic investigation

    Energy Technology Data Exchange (ETDEWEB)

    Veselská, Veronika, E-mail: veselskav@fzp.czu.cz [Department of Environmental Geosciences, Faculty of Environmental Sciences, Czech University of Life Sciences Prague, Kamýcka 129, CZ-16521, Prague (Czech Republic); Fajgar, Radek [Department of Analytical and Material Chemistry, Institute of Chemical Process Fundamentals of the CAS, v.v.i., Rozvojová 135/1, CZ-16502, Prague (Czech Republic); Číhalová, Sylva [Department of Environmental Geosciences, Faculty of Environmental Sciences, Czech University of Life Sciences Prague, Kamýcka 129, CZ-16521, Prague (Czech Republic); Bolanz, Ralph M. [Institute of Geosciences, Friedrich-Schiller-University Jena, Carl-Zeiss-Promenade 10, DE-07745, Jena (Germany); Göttlicher, Jörg; Steininger, Ralph [ANKA Synchrotron Radiation Facility, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, DE-76344, Eggenstein-Leopoldshafen (Germany); Siddique, Jamal A.; Komárek, Michael [Department of Environmental Geosciences, Faculty of Environmental Sciences, Czech University of Life Sciences Prague, Kamýcka 129, CZ-16521, Prague (Czech Republic)

    2016-11-15

    Highlights: • Study of Cr(VI) adsorption on soil minerals over a large range of conditions. • Combined surface complexation modeling and spectroscopic techniques. • Diffuse-layer and triple-layer models used to obtain fits to experimental data. • Speciation of Cr(VI) and Cr(III) was assessed. - Abstract: This study investigates the mechanisms of Cr(VI) adsorption on natural clay (illite and kaolinite) and synthetic (birnessite and ferrihydrite) minerals, including its speciation changes, and combining quantitative thermodynamically based mechanistic surface complexation models (SCMs) with spectroscopic measurements. Series of adsorption experiments have been performed at different pH values (3–10), ionic strengths (0.001–0.1 M KNO{sub 3}), sorbate concentrations (10{sup −4}, 10{sup −5}, and 10{sup −6} M Cr(VI)), and sorbate/sorbent ratios (50–500). Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy were used to determine the surface complexes, including surface reactions. Adsorption of Cr(VI) is strongly ionic strength dependent. For ferrihydrite at pH <7, a simple diffuse-layer model provides a reasonable prediction of adsorption. For birnessite, bidentate inner-sphere complexes of chromate and dichromate resulted in a better diffuse-layer model fit. For kaolinite, outer-sphere complexation prevails mainly at lower Cr(VI) loadings. Dissolution of solid phases needs to be considered for better SCMs fits. The coupled SCM and spectroscopic approach is thus useful for investigating individual minerals responsible for Cr(VI) retention in soils, and improving the handling and remediation processes.

  19. PHAST--a program for simulating ground-water flow, solute transport, and multicomponent geochemical reactions

    Science.gov (United States)

    Parkhurst, David L.; Kipp, Kenneth L.; Engesgaard, Peter; Charlton, Scott R.

    2004-01-01

    The computer program PHAST simulates multi-component, reactive solute transport in three-dimensional saturated ground-water flow systems. PHAST is a versatile ground-water flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. PHAST is applicable to the study of natural and contaminated ground-water systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock-water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, density-dependent flow, or waters with high ionic strengths. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux, and leaky conditions, as well as the special cases of rivers and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, gases, surface complexation sites, ion exchange sites, and solid solutions; and (3) kinetic reactions with rates that are a function of solution composition. The aqueous model (elements, chemical reactions, and equilibrium constants), minerals, gases, exchangers, surfaces, and rate expressions may be defined or modified by the user. A number of options are available to save results of simulations to output files. The data may be saved in three formats: a format suitable for viewing with a text editor; a

  20. Uruguay mining inventory. Geochemical prospecting results of the Las Flores aerial map[Study of Uranium geochemical prospection in Uruguay]; Inventario minero del Uruguay. Resultados de la prospeccion geoquimica del fotoplano Las Flores

    Energy Technology Data Exchange (ETDEWEB)

    Zeegers, H; Bonnefoy, D; Garau, M; Spangenberg, J

    1981-07-01

    In the context of the Uruguay mining inventory, the aerial photography map Las Flores had been covered by a specific strategic which included geochemical prospecting elements. The surface covered has the 550 km2, and 1042 samples which they have been analized in Orleans France. 22 elements by plasma spectroscopy and gold by atomic absorption and for uranium laser spectroscopy . They have been evidenced the following anomalies: gold, Pb, Pb-Ba-Cu, Ba and Ni-Cr.

  1. Regional geochemical maps of uranium in Northern Scotland. Environmental and economic considerations

    International Nuclear Information System (INIS)

    Plant, J.

    1978-01-01

    The Institute of Geological Studies geochemical mapping programme is outlined. The natural levels of uranium in rocks, soils and waters are discussed. Some practical details of geochemical mapping are given. Applications of geochemical maps of uranium in Scotland are considered: economic applications and medical geography and agriculture. A list of 38 references is appended. (U.K.)

  2. Uranium geochemical exploration in northwestern Luzon

    International Nuclear Information System (INIS)

    Santos, G. Jr.; Fernandez, L.; Ogena, M.; Tauli, G.

    1980-01-01

    A reconnaissance geochemical stream water and sediment survey which was conducted in northwestern Luzon was able to detect ten (10) uranium anomalous areas. These anomalous areas are located along a north-south trending zone of Miocene marine clastics and sedimentary rocks with tuffaceous sediment intercalations. In general, northwest Luzon has low radioactivity except for two anomalous areas which have 3 to 6 times background radioactivity. Radon anomalies occur in sparsely scattered locations. The anomalous zones appear to be related to major north-south faults and secondary northeast-southwest trending structures. Geochemical correlations between uranium and other elements such as copper, lead, zinc, manganese, silver, cobalt and nickel are generally very poor. (author)

  3. Geochemical site-selection criteria for HLW repositories in Europe and North America

    International Nuclear Information System (INIS)

    Savage, David; Arthur, Randolph C.; Sasamoto, Hiroshi; Shibata, Masahiro; Yui, Mikazu

    2000-01-01

    Geochemical as well as socio-economic issues associated with the selection of potential sites to host a high-level nuclear waste repository have received considerable attention in repository programs in Europe (Belgium, Finland, France, Germany, Spain, Sweden, Switzerland and the U.K.) and North America (Canada and the United States). The objective of the present study is to summarize this international experience with particular emphasis on geochemical properties that factor into the adopted site-selection strategies. Results indicate that the geochemical properties of a site play a subordinate role, at best, to other geotechnical properties in the international site-selection approaches. In countries where geochemical properties are acknowledged in the site-selection approach, requirements are stated qualitatively and tend to focus on associated impacts on the stability of the engineered barrier system and on radionuclide transport. Site geochemical properties that are likely to control the long-term stability of geochemical conditions and radionuclide migration behavior are unspecified, however. This non-prescriptive approach may be reasonable for purposes of screening among potential sites, but a better understanding of site properties that are most important in controlling the long-term geochemical evolution of the site over a range of possible scenarios would enable the potential sites to be ranked in terms of their suitability to host a repository. (author)

  4. Tailored optical vector fields for ultrashort-pulse laser induced complex surface plasmon structuring.

    Science.gov (United States)

    Ouyang, J; Perrie, W; Allegre, O J; Heil, T; Jin, Y; Fearon, E; Eckford, D; Edwardson, S P; Dearden, G

    2015-05-18

    Precise tailoring of optical vector beams is demonstrated, shaping their focal electric fields and used to create complex laser micro-patterning on a metal surface. A Spatial Light Modulator (SLM) and a micro-structured S-waveplate were integrated with a picosecond laser system and employed to structure the vector fields into radial and azimuthal polarizations with and without a vortex phase wavefront as well as superposition states. Imprinting Laser Induced Periodic Surface Structures (LIPSS) elucidates the detailed vector fields around the focal region. In addition to clear azimuthal and radial plasmon surface structures, unique, variable logarithmic spiral micro-structures with a pitch Λ ∼1μm, not observed previously, were imprinted on the surface, confirming unambiguously the complex 2D focal electric fields. We show clearly also how the Orbital Angular Momentum(OAM) associated with a helical wavefront induces rotation of vector fields along the optic axis of a focusing lens and confirmed by the observed surface micro-structures.

  5. Geochemical investigation of UMTRAP designated site at Salt Lake City, Utah

    International Nuclear Information System (INIS)

    Markos, G.; Bush, K.J.

    1983-09-01

    This report is the result of a geochemical investigation of the former uranium mill and tailings site at Salt Lake City, Utah. This is one in a series of site specific geochemical investigations performed on the inactive uranium mill tailings included in the Uranium Mill Tailings Remedial Action Project. The objectives of the investigation are to characterize the geochemistry, to determine the contaminant distribution resulting from the former milling activities and tailings, and to infer chemical pathways and transport mechanisms from the contaminant distribution. The results will be used to model contaminant migration and to develop criteria for long-term containment media such as a cover system which is impermeable to contaminant migration. This report assumes a familiarity with the hydrologic conditions of the site and the geochemical concepts underlying the investigation. The results reported are based on a one-time sampling of waters and solid material from the background, the area adjacent to the site, and the site. The solid samples were water extracted to remove easily soluble salts and acid extracted to remove carbonates and hydroxides. The water extracts and solid samples were anlyzed for the major and trace elements. The report includes the methods of sampling, sample processing, analysis, and data interpretation. Four major conclusions are: (1) sediments in the ditches and creeks adjacent to the site contain tailings, however, the waters were generally not contaminated; (2) tailings are mixed with the soils within a meter below the tailings in some locations, however, water-soluble contaminants decrease to below background levels within 30 cm below the tailings; (3) there has not been significant acid seepage into the soils below the tailings; and (4) salt crusts on the tailings contain trace elements, with the elements that form chloride complexes having the greatest accumulation

  6. Comparison of Degrees of Potential-Energy-Surface Anharmonicity for Complexes and Clusters with Hydrogen Bonds

    Science.gov (United States)

    Kozlovskaya, E. N.; Doroshenko, I. Yu.; Pogorelov, V. E.; Vaskivskyi, Ye. V.; Pitsevich, G. A.

    2018-01-01

    Previously calculated multidimensional potential-energy surfaces of the MeOH monomer and dimer, water dimer, malonaldehyde, formic acid dimer, free pyridine-N-oxide/trichloroacetic acid complex, and protonated water dimer were analyzed. The corresponding harmonic potential-energy surfaces near the global minima were constructed for series of clusters and complexes with hydrogen bonds of different strengths based on the behavior of the calculated multidimensional potential-energy surfaces. This enabled the introduction of an obvious anharmonicity parameter for the calculated potential-energy surfaces. The anharmonicity parameter was analyzed as functions of the size of the analyzed area near the energy minimum, the number of points over which energies were compared, and the dimensionality of the solved vibrational problem. Anharmonicity parameters for potential-energy surfaces in complexes with strong, medium, and weak H-bonds were calculated under identical conditions. The obtained anharmonicity parameters were compared with the corresponding diagonal anharmonicity constants for stretching vibrations of the bridging protons and the lengths of the hydrogen bridges.

  7. Geochemical modelling of the sorption of tetravalent radioelements

    International Nuclear Information System (INIS)

    Bond, K.A.; Tweed, C.J.

    1991-05-01

    The results of an experimental study of the sorption of a range of tetravalent radioelements, plutonium (IV), tin (IV), thorium(IV) and uranium(IV), onto clay at pH8 and pH11 have been successfully simulated using a triple layer sorption model. The model has been incorporated into HARPHRQ, a geochemical program based on PHREEQE. The model has been parameterised using data for sorption onto ferric oxyhydroxide and goethite. The effects of hydroxycarboxylic acids on the sorption process have also been investigated experimentally. It was generally observed that in the presence of 2x10 -3 M gluconate, sorption was reduced by up two orders of magnitude. The model has satisfactorily simulated these lower sorptivities, through assuming competing sorption and complexation reactions. This work, therefore, further confirms the need to take account of such organic materials in safety assessment modelling. (author)

  8. Granite-repository - geochemical environment

    International Nuclear Information System (INIS)

    1979-04-01

    Some geochemical data of importance for a radioactive waste repository in hard rock are reviewed. The ground water composition at depth is assessed. The ground water chemistry in the vicinity of uranium ores is discussed. The redox system in Swedish bedrock is described. Influences of extreme climatic changes and of repository mining and construction are also evaluated

  9. Nanofluidic structures with complex three-dimensional surfaces

    International Nuclear Information System (INIS)

    Stavis, Samuel M; Gaitan, Michael; Strychalski, Elizabeth A

    2009-01-01

    Nanofluidic devices have typically explored a design space of patterns limited by a single nanoscale structure depth. A method is presented here for fabricating nanofluidic structures with complex three-dimensional (3D) surfaces, utilizing a single layer of grayscale photolithography and standard integrated circuit manufacturing tools. This method is applied to construct nanofluidic devices with numerous (30) structure depths controlled from ∼10 to ∼620 nm with an average standard deviation of 1 cm. A prototype 3D nanofluidic device is demonstrated that implements size exclusion of rigid nanoparticles and variable nanoscale confinement and deformation of biomolecules.

  10. Functionalized granular activated carbon and surface complexation with chromates and bi-chromates in wastewater

    International Nuclear Information System (INIS)

    Singha, Somdutta; Sarkar, Ujjaini; Luharuka, Pallavi

    2013-01-01

    Cr(VI) is present in the aqueous medium as chromate (CrO 4 2− ) and bi-chromate (HCrO 4 − ). Functionalized granular activated carbons (FACs) are used as adsorbents in the treatment of wastewaters containing hexavalent chromium. The FACs are prepared by chemical modifications of granular activated carbons (GACs) using functionalizing agents like HNO 3 , HCl and HF. The Brunauer, Emmett and Teller surface areas of FAC-HCl (693.5 m 2 /g), FAC-HNO 3 (648.8 m 2 /g) and FAC-HF (726.2 m 2 /g) are comparable to the GAC (777.7 m 2 /g). But, the adsorption capacity of each of the FAC-HNO 3 , FAC-HCl and FAC-HF is found to be higher than the GAC. The functional groups play an important role in the adsorption process and pH has practically no role in this specific case. The FACs have hydrophilic protonated external surfaces in particular, along with the functional surface sites capable to make complexes with the CrO 4 2− and HCrO 4 − present. Surface complex formation is maximized in the order FAC-HNO 3 > FAC-HF > FAC-HCl, in proportion to the total surface acidity. This is also confirmed by the well-known pseudo second-order kinetic model. Physi-sorption equilibrium isotherms are parameterized by using standard Freundlich and Langmuir models. Langmuir fits better. The formation of surface complexes with the functional groups and hexavalent chromium is also revealed in the images of field emission scanning electron micrograph; energy dispersive X-ray spectroscopy and Fourier transform infrared spectroscopy analysis after adsorption. The intra-particle diffusion is not the only rate-controlling factor. The Boyd's film diffusion model fits very well with R 2 as high as 98.1% for FAC-HNO 3 . This result demonstrates that the functionalization of the GAC by acid treatments would increase the diffusion rate, predominantly with a boundary layer diffusion effect. - Highlights: ► Physico-chemical adsorption using functionalized activated carbon (FACs) is applied. ► FACs

  11. Surface-illuminant ambiguity and color constancy: effects of scene complexity and depth cues.

    Science.gov (United States)

    Kraft, James M; Maloney, Shannon I; Brainard, David H

    2002-01-01

    Two experiments were conducted to study how scene complexity and cues to depth affect human color constancy. Specifically, two levels of scene complexity were compared. The low-complexity scene contained two walls with the same surface reflectance and a test patch which provided no information about the illuminant. In addition to the surfaces visible in the low-complexity scene, the high-complexity scene contained two rectangular solid objects and 24 paper samples with diverse surface reflectances. Observers viewed illuminated objects in an experimental chamber and adjusted the test patch until it appeared achromatic. Achromatic settings made tinder two different illuminants were used to compute an index that quantified the degree of constancy. Two experiments were conducted: one in which observers viewed the stimuli directly, and one in which they viewed the scenes through an optical system that reduced cues to depth. In each experiment, constancy was assessed for two conditions. In the valid-cue condition, many cues provided valid information about the illuminant change. In the invalid-cue condition, some image cues provided invalid information. Four broad conclusions are drawn from the data: (a) constancy is generally better in the valid-cue condition than in the invalid-cue condition: (b) for the stimulus configuration used, increasing image complexity has little effect in the valid-cue condition but leads to increased constancy in the invalid-cue condition; (c) for the stimulus configuration used, reducing cues to depth has little effect for either constancy condition: and (d) there is moderate individual variation in the degree of constancy exhibited, particularly in the degree to which the complexity manipulation affects performance.

  12. Is there a geochemical link between volcanic and plutonic rocks in the Organ Mountains caldera?

    Science.gov (United States)

    Memeti, V.; Davidson, J.

    2013-12-01

    Results from separate volcanic and plutonic studies have led to inconsistent conclusions regarding the origins and thus links between volcanic and plutonic systems in continental arcs and the magmatic processes and time scales responsible for their compositional variations. Some have suggested that there is a geochemical and geochronological disconnect between volcanic and plutonic rocks and hence have questioned the existence of magma mush columns beneath active volcanoes. Investigating contemporary volcanic and plutonic rocks that are spatially connected is thus critical in exploring these issues. The ca. 36 Ma Organ Mountains caldera in New Mexico, USA, represents such a system exposing contemporaneous volcanic and plutonic rocks juxtaposed at the surface due to tilting during extensional tectonics along the Rio Grande Rift. Detailed geologic and structural mapping [1] and 40Ar/39Ar ages of both volcanics and plutons [2] demonstrate the spatial and temporal connection of both rock types with active magmatism over >2.5 myr. Three caldera-forming ignimbrites erupted within 600 kyr [2] from this system with a total erupted volume of 500-1,000 km3 as well as less voluminous pre- and post-caldera trachyte and andesite lavas. The ignimbrite sequence ranges from a crystal-poor, high-SiO2 rhyolite at the base to a more crystal-rich, low-SiO2 rhyolite at the top. Compositional zoning with quartz-monzonite at the base grading to syenite and alaskite at the top is also found in the Organ Needle pluton, the main intrusion, which is interpreted to be the source for the ignimbrites [1]. Other contemporaneous and slightly younger plutons have dioritic to leucogranitic compositions. We examined both volcanic and plutonic rocks with petrography and their textural variations with color cathodoluminescence, and used whole rock element and Sr, Nd and Pb isotope geochemistry to constrain magma compositions and origins. Electron microprobe analyses on feldspars have been completed to

  13. Modeling and simulation for fewer-axis grinding of complex surface

    Science.gov (United States)

    Li, Zhengjian; Peng, Xiaoqiang; Song, Ci

    2017-10-01

    As the basis of fewer-axis grinding of complex surface, the grinding mathematical model is of great importance. A mathematical model of the grinding wheel was established, and then coordinate and normal vector of the wheel profile could be calculated. Through normal vector matching at the cutter contact point and the coordinate system transformation, the grinding mathematical model was established to work out the coordinate of the cutter location point. Based on the model, interference analysis was simulated to find out the right position and posture of workpiece for grinding. Then positioning errors of the workpiece including the translation positioning error and the rotation positioning error were analyzed respectively, and the main locating datum was obtained. According to the analysis results, the grinding tool path was planned and generated to grind the complex surface, and good form accuracy was obtained. The grinding mathematical model is simple, feasible and can be widely applied.

  14. Use of polyamfolit complexes of ethyl-amino-crotonate/acrylic acid with surface-active materials for radionuclide extraction

    International Nuclear Information System (INIS)

    Kabdyrakova, A.M.; Artem'ev, O.I.; Protskij, A.V.; Bimendina, L.A.; Yashkarova, M.G.; Orazzhanova, L.K.

    2005-01-01

    Pentifylline of betaine structure was synthesised on the basis of 3-aminocrotonate and acrylic acid. Polyamfolit composition and its complexes with anionic surface-active material (lauryl sulfate of sodium) were determined. It is revealed that complex formation occurs with [polyamfolit]:[surface active material]=1:1 ratio and is accompanied by significant reduce of system characteristics viscosity. The paper presents results of [polyamfolit]:[surface active material] complex apply experimental investigation for radionuclide directed migration in soil. (author)

  15. Mixed DNA/Oligo(ethylene glycol) Functionalized Gold Surface Improve DNA Hybridization in Complex Media

    International Nuclear Information System (INIS)

    Lee, C.; Gamble, L.; Grainger, D.; Castner, D.

    2006-01-01

    Reliable, direct 'sample-to-answer' capture of nucleic acid targets from complex media would greatly improve existing capabilities of DNA microarrays and biosensors. This goal has proven elusive for many current nucleic acid detection technologies attempting to produce assay results directly from complex real-world samples, including food, tissue, and environmental materials. In this study, we have investigated mixed self-assembled thiolated single-strand DNA (ssDNA) monolayers containing a short thiolated oligo(ethylene glycol) (OEG) surface diluent on gold surfaces to improve the specific capture of DNA targets from complex media. Both surface composition and orientation of these mixed DNA monolayers were characterized with x-ray photoelectron spectroscopy (XPS) and near-edge x-ray absorption fine structure (NEXAFS). XPS results from sequentially adsorbed ssDNA/OEG monolayers on gold indicate that thiolated OEG diluent molecules first incorporate into the thiolated ssDNA monolayer and, upon longer OEG exposures, competitively displace adsorbed ssDNA molecules from the gold surface. NEXAFS polarization dependence results (followed by monitoring the N 1s→π* transition) indicate that adsorbed thiolated ssDNA nucleotide base-ring structures in the mixed ssDNA monolayers are oriented more parallel to the gold surface compared to DNA bases in pure ssDNA monolayers. This supports ssDNA oligomer reorientation towards a more upright position upon OEG mixed adlayer incorporation. DNA target hybridization on mixed ssDNA probe/OEG monolayers was monitored by surface plasmon resonance (SPR). Improvements in specific target capture for these ssDNA probe surfaces due to incorporation of the OEG diluent were demonstrated using two model biosensing assays, DNA target capture from complete bovine serum and from salmon genomic DNA mixtures. SPR results demonstrate that OEG incorporation into the ssDNA adlayer improves surface resistance to both nonspecific DNA and protein

  16. Geochemical Distribution of Lead and Chromium in River Getsi-Kano

    African Journals Online (AJOL)

    Geochemical forms of lead (Pb) and Chromium (Cr) from the sediment of River Getsi Kano-Nigeria were determined using Atomic Absorption spectrometer for eighteen months. Apart from determination of the metals in water, geochemical forms of the metals were also evaluated into five fractions. Exchangeable, bound to ...

  17. Geochemical and physical drivers of microbial community structure in hot spring ecosystems

    Science.gov (United States)

    Havig, J. R.; Hamilton, T. L.; Boyd, E. S.; Meyer-Dombard, D. R.; Shock, E.

    2012-12-01

    Microbial communities in natural systems are typically characterized using samples collected from a single time point, thereby neglecting the temporal dynamics that characterize natural systems. The composition of these communities obtained from single point samples is then related to the geochemistry and physical parameters of the environment. Since most microbial life is adapted to a relatively narrow ecological niche (multiplicity of physical and chemical parameters that characterize a local habitat), these assessments provide only modest insight into the controls on community composition. Temporal variation in temperature or geochemical composition would be expected to add another dimension to the complexity of niche space available to support microbial diversity, with systems that experience greater variation supporting a greater biodiversity until a point where the variability is too extreme. . Hot springs often exhibit significant temporal variation, both in physical as well as chemical characteristics. This is a result of subsurface processes including boiling, phase separation, and differential mixing of liquid and vapor phase constituents. These characteristics of geothermal systems, which vary significantly over short periods of time, provide ideal natural laboratories for investigating how i) the extent of microbial community biodiversity and ii) the composition of those communities are shaped by temporal fluctuations in geochemistry. Geochemical and molecular samples were collected from 17 temporally variable hot springs across Yellowstone National Park, Wyoming. Temperature measurements using data-logging thermocouples, allowing accurate determination of temperature maximums, minimums, and ranges for each collection site, were collected in parallel, along with multiple geochemical characterizations as conditions varied. There were significant variations in temperature maxima (54.5 to 90.5°C), minima (12.5 to 82.5°C), and range (3.5 to 77.5°C) for

  18. Tracking riverborne sediment and contaminants in Commencement Bay, Washington, using geochemical signatures

    Science.gov (United States)

    Takesue, Renee K.; Conn, Kathleen E.; Dinicola, Richard S.

    2017-09-29

    Large rivers carry terrestrial sediment, contaminants, and other materials to the coastal zone where they can affect marine biogeochemical cycles and ecosystems. This U.S. Geological Survey study combined river and marine sediment geochemistry and organic contaminant analyses to identify riverborne sediment and associated contaminants at shoreline sites in Commencement Bay, Puget Sound, Washington, that could be used by adult forage fish and other marine organisms. Geochemical signatures distinguished the fine fraction (contaminants were measured in surface sediment did not have measurable 7Be activities in that layer, so their contaminant assemblages were attributed to sources from previous years. Concentrations of organic contaminants (the most common of which were polycyclic aromatic hydrocarbons, polychlorinated biphenyls, and fecal sterols) were higher in the contaminants in marine rather than river sediment, indicates that riverborne sediment-bound contaminants are retained in shallow marine habitats of Commencement Bay. The retention of earlier inputs complicates efforts to identify recent inputs and sources. Understanding modern sources and fates of riverborne sediment and contaminants and their potential ecological impacts will therefore require a suite of targeted geochemical studies in such marine depositional environments.

  19. Geochemical evolution of highly alkaline and saline tank waste plumes during seepage through vadose zone sediments

    International Nuclear Information System (INIS)

    Wan, Jiamin; Tokunaga, Tetsu K.; Larsen, Joern T.; Serne, R. JEFFREY

    2004-01-01

    Leakage of highly saline and alkaline radioactive waste from storage tanks into underlying sediments is a serious environmental problem at the Hanford Site in Washington State. This study focuses on geochemical evolution of tank waste plumes resulting from interactions between the waste solution and sediment. A synthetic tank waste solution was infused into unsaturated Hanford sediment columns (0.2, 0.6, and 2 m) maintained at 70C to simulate the field contamination process. Spatially and temporally resolved geochemical profiles of the waste plume were obtained. Thorough OH neutralization (from an initial pH 14 down to 6.3) was observed. Three broad zones of pore solutions were identified to categorize the dominant geochemical reactions: the silicate dissolution zone (pH > 10), pH-neutralized zone (pH 10 to 6.5), and displaced native sediment pore water (pH 6.5 to 8). Elevated concentrations of Si, Fe, and K in plume fluids and their depleted concentrations in plume sediments reflected dissolution of primary minerals within the silicate dissolution zone. The very high Na concentrations in the waste solution resulted in rapid and complete cation exchange, reflected in high concentrations of Ca and Mg at the plume front. The plume-sediment profiles also showed deposition of hydrated solids and carbonates. Fair correspondence was obtained between these results and analyses of field borehole samples from a waste plume at the Hanford Site. Results of this study provide a well-defined framework for understanding waste plumes in the more complex field setting and for understanding geochemical factors controlling transport of contaminant species carried in waste solutions that leaked from single-shell storage tanks in the past

  20. Arc-continent collision and the formation of continental crust: A new geochemical and isotopic record from the Ordovician Tyrone Igneous Complex, Ireland

    Science.gov (United States)

    Draut, Amy E.; Clift, Peter D.; Amato, Jeffrey M.; Blusztajn, Jerzy; Schouten, Hans

    2009-01-01

    Collisions between oceanic island-arc terranes and passive continental margins are thought to have been important in the formation of continental crust throughout much of Earth's history. Magmatic evolution during this stage of the plate-tectonic cycle is evident in several areas of the Ordovician Grampian-Taconic orogen, as we demonstrate in the first detailed geochemical study of the Tyrone Igneous Complex, Ireland. New U-Pb zircon dating yields ages of 493 2 Ma from a primitive mafic intrusion, indicating intra-oceanic subduction in Tremadoc time, and 475 10 Ma from a light rare earth element (LREE)-enriched tonalite intrusion that incorporated Laurentian continental material by early Arenig time (Early Ordovician, Stage 2) during arc-continent collision. Notably, LREE enrichment in volcanism and silicic intrusions of the Tyrone Igneous Complex exceeds that of average Dalradian (Laurentian) continental material that would have been thrust under the colliding forearc and potentially recycled into arc magmatism. This implies that crystal fractionation, in addition to magmatic mixing and assimilation, was important to the formation of new crust in the Grampian-Taconic orogeny. Because similar super-enrichment of orogenic melts occurred elsewhere in the Caledonides in the British Isles and Newfoundland, the addition of new, highly enriched melt to this accreted arc terrane was apparently widespread spatially and temporally. Such super-enrichment of magmatism, especially if accompanied by loss of corresponding lower crustal residues, supports the theory that arc-continent collision plays an important role in altering bulk crustal composition toward typical values for ancient continental crust. ?? 2009 Geological Society of London.

  1. Geochemical prospecting in Guiana

    International Nuclear Information System (INIS)

    Coulomb, R.

    1957-01-01

    During the last few years geochemical prospecting techniques have become common usage in the field of mineral deposit prospecting. The real scope of these methods lies in their use in the prospecting of large areas. The most promising use of the geochemistry and hydro-geochemistry of uranium is in heavily forested tropical territories, with few outcrops, where radiometry is strongly handicapped. (author) [fr

  2. Geochemical processes controlling water salinization in an irrigated basin in Spain: identification of natural and anthropogenic influence.

    Science.gov (United States)

    Merchán, D; Auqué, L F; Acero, P; Gimeno, M J; Causapé, J

    2015-01-01

    Salinization of water bodies represents a significant risk in water systems. The salinization of waters in a small irrigated hydrological basin is studied herein through an integrated hydrogeochemical study including multivariate statistical analyses and geochemical modeling. The study zone has two well differentiated geologic materials: (i) Quaternary sediments of low salinity and high permeability and (ii) Tertiary sediments of high salinity and very low permeability. In this work, soil samples were collected and leaching experiments conducted on them in the laboratory. In addition, water samples were collected from precipitation, irrigation, groundwater, spring and surface waters. The waters show an increase in salinity from precipitation and irrigation water to ground- and, finally, surface water. The enrichment in salinity is related to the dissolution of soluble mineral present mainly in the Tertiary materials. Cation exchange, precipitation of calcite and, probably, incongruent dissolution of dolomite, have been inferred from the hydrochemical data set. Multivariate statistical analysis provided information about the structure of the data, differentiating the group of surface waters from the groundwaters and the salinization from the nitrate pollution processes. The available information was included in geochemical models in which hypothesis of consistency and thermodynamic feasibility were checked. The assessment of the collected information pointed to a natural control on salinization processes in the Lerma Basin with minimal influence of anthropogenic factors. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Geochemical fractionation of 210Pb in oxic estuarine sediments of Coatzacoalcos River, Gulf of Mexico

    International Nuclear Information System (INIS)

    Ontiveros-Cuadras, J.F.; Ruiz-Fernandez, A.C.; Perez-Bernal, L.H.; Sanchez-Cabeza, J.A.; Universitat Autonoma de Barcelona; Wee-Kwong, L.L.

    2012-01-01

    210 Pb activities were analyzed in surface sediments from the Coatzacoalcos River (Gulf of Mexico) to evaluate its distribution according to sediment grain size and in different geochemical compartments by using sequential extraction techniques. The geochemical fractionation experiments provided compatible results: by using the Tessier's method more than 90% of the 210 Pb activity in the samples was found the residual fraction (primary and secondary minerals) and the remaining ( 210 Pb content was found in comparative amounts in the reactive, the silicate, and the pyrite fractions (accounting together for >80%), and the rest was found in the residual fraction. The grain size fractionation analyses showed that the 210 Pb activities were mostly retained in the clay fraction, accounting up to 60-70% of the 210 Pb total activity in the sediment sample and therefore, it is concluded that the separation of the clay fraction can be useful to improve the analysis of low 210 Pb content sediments for dating purposes. (author)

  4. Geochemical investigation of groundwater in the Tono area, Japan. Chemical characteristics and groundwater evolution

    International Nuclear Information System (INIS)

    Iwatsuki, Teruki; Hama, Katsuhiro; Yoshida, Hidekazu

    1997-01-01

    Geochemical investigations form an important part of the R and D program at the Tono study site, central Japan. Detailed geological structure and groundwater chemistry have been studied to understand the geochemical environment in the sedimentary and crystalline rocks distributed in this area. The chemical evolution of the groundwater in the sedimentary rocks is characterized with the variation in Na + , Ca 2+ and HCO 3 - concentrations, and ion exchange and dissolution of calcite are dominant reactions in the evolution of groundwater. Geological investigation shows that a fracture system of crystalline rock can be classified into:intact zone, moderately fractured zone and intensely fractured zone, according to the frequency and the width of fractures and fractured zones. The groundwater in the intact and fractured zones of crystalline rock are characterized by Na + -Ca 2+ -HCO 3 - or Na + -HCO 3 - dominated water, and Na + -Ca 2+ -Fe 2+ -HCO 3 - dominated water. The chemical evolution of groundwater is, generally, controlled by water-rock interaction between plagioclase, iron minerals and groundwater. The groundwater at depth of G.L.-186m in the crystalline rock at the Tono area is characterized by the mixture between the oxidized surface water and the reduced groundwater. The investigation based on correlation between geological structures and groundwater chemistry can be applied to understand the geochemical environment in deep crystalline rock, and will support the development of a realistic hydrogeochemical model. (author)

  5. Petrological and geochemical characterization of the plutonic rocks of the Sierra de La Aguada, Province of San Luis, Argentina: Genetic implications with the Famatinian magmatic arc

    Directory of Open Access Journals (Sweden)

    E. Cristofolini

    2017-07-01

    Full Text Available This study presents a synthesis on the geology of the crystalline complex that constitute the Sierra de la Aguada, San Luis province, Argentine, from an approach based on field relations, petrologic and structural features and geochemical characteristic. This mountain range exposes a basement dominated by intermediate to mafic calcalkaline igneous rocks and peraluminous felsic granitoids, both emplaced in low to medium grade metamorphic rocks stabilized under low amphibolite facies. All this lithological terrane has been grouped in the El Carrizal-La Aguada Complex. Field relations, petrographic characterization and geochemical comparison of the plutonic rocks from the study area with those belonging to the Ordovician Famatinian suit exposed in the Sierra Grande de San Luis, suggest a genetic and temporal relation linked to the development of the Famatinian magmatic arc.

  6. Development of thermodynamic databases for geochemical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Arthur, R.C. [Monitor Scientific, L.L.C., Denver, Colorado (United States); Sasamoto, Hiroshi; Shibata, Masahiro; Yui, Mikazu [Japan Nuclear Cycle Development Inst., Tokai, Ibaraki (Japan); Neyama, Atsushi [Computer Software Development Corp., Tokyo (Japan)

    1999-09-01

    Two thermodynamic databases for geochemical calculations supporting research and development on geological disposal concepts for high level radioactive waste are described in this report. One, SPRONS.JNC, is compatible with thermodynamic relations comprising the SUPCRT model and software, which permits calculation of the standard molal and partial molal thermodynamic properties of minerals, gases, aqueous species and reactions from 1 to 5000 bars and 0 to 1000degC. This database includes standard molal Gibbs free energies and enthalpies of formation, standard molal entropies and volumes, and Maier-Kelly heat capacity coefficients at the reference pressure (1 bar) and temperature (25degC) for 195 minerals and 16 gases. It also includes standard partial molal Gibbs free energies and enthalpies of formation, standard partial molal entropies, and Helgeson, Kirkham and Flowers (HKF) equation-of-state coefficients at the reference pressure and temperature for 1147 inorganic and organic aqueous ions and complexes. SPRONS.JNC extends similar databases described elsewhere by incorporating new and revised data published in the peer-reviewed literature since 1991. The other database, PHREEQE.JNC, is compatible with the PHREEQE series of geochemical modeling codes. It includes equilibrium constants at 25degC and l bar for mineral-dissolution, gas-solubility, aqueous-association and oxidation-reduction reactions. Reaction enthalpies, or coefficients in an empirical log K(T) function, are also included in this database, which permits calculation of equilibrium constants between 0 and 100degC at 1 bar. All equilibrium constants, reaction enthalpies, and log K(T) coefficients in PHREEQE.JNC are calculated using SUPCRT and SPRONS.JNC, which ensures that these two databases are mutually consistent. They are also internally consistent insofar as all the data are compatible with basic thermodynamic definitions and functional relations in the SUPCRT model, and because primary

  7. Development of thermodynamic databases for geochemical calculations

    International Nuclear Information System (INIS)

    Arthur, R.C.; Sasamoto, Hiroshi; Shibata, Masahiro; Yui, Mikazu; Neyama, Atsushi

    1999-09-01

    Two thermodynamic databases for geochemical calculations supporting research and development on geological disposal concepts for high level radioactive waste are described in this report. One, SPRONS.JNC, is compatible with thermodynamic relations comprising the SUPCRT model and software, which permits calculation of the standard molal and partial molal thermodynamic properties of minerals, gases, aqueous species and reactions from 1 to 5000 bars and 0 to 1000degC. This database includes standard molal Gibbs free energies and enthalpies of formation, standard molal entropies and volumes, and Maier-Kelly heat capacity coefficients at the reference pressure (1 bar) and temperature (25degC) for 195 minerals and 16 gases. It also includes standard partial molal Gibbs free energies and enthalpies of formation, standard partial molal entropies, and Helgeson, Kirkham and Flowers (HKF) equation-of-state coefficients at the reference pressure and temperature for 1147 inorganic and organic aqueous ions and complexes. SPRONS.JNC extends similar databases described elsewhere by incorporating new and revised data published in the peer-reviewed literature since 1991. The other database, PHREEQE.JNC, is compatible with the PHREEQE series of geochemical modeling codes. It includes equilibrium constants at 25degC and l bar for mineral-dissolution, gas-solubility, aqueous-association and oxidation-reduction reactions. Reaction enthalpies, or coefficients in an empirical log K(T) function, are also included in this database, which permits calculation of equilibrium constants between 0 and 100degC at 1 bar. All equilibrium constants, reaction enthalpies, and log K(T) coefficients in PHREEQE.JNC are calculated using SUPCRT and SPRONS.JNC, which ensures that these two databases are mutually consistent. They are also internally consistent insofar as all the data are compatible with basic thermodynamic definitions and functional relations in the SUPCRT model, and because primary

  8. Summary report on geochemical barrier special study

    International Nuclear Information System (INIS)

    1988-12-01

    Long-term management of uranium mill tailings must provide assurance that soluble contaminants will not migrate beyond the Point of Compliance. Conventional management alternatives provide containment through the use of physical barriers which are designed to prevent migration of water through the tailings pile. An alternative is to geochemically modify the tailings to immobilize the contaminants. This investigation examined three potential geochemical modifiers to determine their ability to immobilize inorganic groundwater contaminants found in uranium mill tailings. These modifiers were hydrated lime (Ca(OH) 2 ), limestone (CaCO 3 ), and a sphaegnum peat moss. This investigation focused on both the geochemical interactions between the tailings and the modifiers, and the effects the modifiers had on the physical strength of the tailings. The geochemical investigations began with characterization of the tailings by X-ray diffraction and scanning electron microscopy. This was followed by batch leaching experiments in which various concentrations of each modifier were added to tailings in shaker flasks and allowed to come to equilibrium. Finally, column experiments were conducted to simulate flow through a tailings pile. The results show that all of the modifiers were at least moderately effective at immobilizing most of the groundwater contaminants of concern at uranium mill tailings sites. Hydrated lime was able to achieve 90 percent concentration reduction of arsenic, cadmium, selenium, uranium, and sulfate when added at a two percent concentration. Limestone was somewhat less effective and peat removed greater than 90 percent of arsenic, lead, uranium, and sulfate at a one percent concentration. The column tests showed that kinetic and/or mass transfer limitations are important and that sufficient time must be allowed for the immobilization reactions to occur

  9. A hybrid 3D SEM reconstruction method optimized for complex geologic material surfaces.

    Science.gov (United States)

    Yan, Shang; Adegbule, Aderonke; Kibbey, Tohren C G

    2017-08-01

    Reconstruction methods are widely used to extract three-dimensional information from scanning electron microscope (SEM) images. This paper presents a new hybrid reconstruction method that combines stereoscopic reconstruction with shape-from-shading calculations to generate highly-detailed elevation maps from SEM image pairs. The method makes use of an imaged glass sphere to determine the quantitative relationship between observed intensity and angles between the beam and surface normal, and the detector and surface normal. Two specific equations are derived to make use of image intensity information in creating the final elevation map. The equations are used together, one making use of intensities in the two images, the other making use of intensities within a single image. The method is specifically designed for SEM images captured with a single secondary electron detector, and is optimized to capture maximum detail from complex natural surfaces. The method is illustrated with a complex structured abrasive material, and a rough natural sand grain. Results show that the method is capable of capturing details such as angular surface features, varying surface roughness, and surface striations. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Proceedings of 2. Brazilian Geochemical Congress

    International Nuclear Information System (INIS)

    1989-01-01

    Some works about geochemistry are presented, including themes about geochemical exploration, lithogeochemistry and isotope geochemistry, environmental geochemistry, analytical geochemistry, geochemistry of carbonatites and rare earth elements and organic geochemistry. (C.G.C.) [pt

  11. [DNA complexes, formed on aqueous phase surfaces: new planar polymeric and composite nanostructures].

    Science.gov (United States)

    Antipina, M N; Gaĭnutdinov, R V; Rakhnianskaia, A A; Sergeev-Cherenkov, A N; Tolstikhina, A L; Iurova, T V; Kislov, V V; Khomutov, G B

    2003-01-01

    The formation of DNA complexes with Langmuir monolayers of the cationic lipid octadecylamine (ODA) and the new amphiphilic polycation poly-4-vinylpyridine with 16% of cetylpyridinium groups (PVP-16) on the surface of an aqueous solution of native DNA of low ionic strength was studied. Topographic images of Langmuir-Blodgett films of DNA/ODA and DNA/PVP-16 complexes applied to micaceous substrates were investigated by the method of atomic force microscopy. It was found that films of the amphiphilic polycation have an ordered planar polycrystalline structure. The morphology of planar DNA complexes with the amphiphilic cation substantially depended on the incubation time and the phase state of the monolayer on the surface of the aqueous DNA solution. Complex structures and individual DNA molecules were observed on the surface of the amphiphilic monolayer. Along with quasi-linear individual bound DNA molecules, characteristic extended net-like structures and quasi-circular toroidal condensed conformations of planar DNA complexes were detected. Mono- and multilayer films of DNA/PVP-16 complexes were used as templates and nanoreactors for the synthesis of inorganic nanostructures via the binding of metal cations from the solution and subsequent generation of the inorganic phase. As a result, ultrathin polymeric composite films with integrated DNA building blocks and quasi-linear arrays of inorganic semiconductor (CdS) and iron oxide nanoparticles and nanowires were obtained. The nanostructures obtained were characterized by scanning probe microscopy and transmission electron microscopy techniques. The methods developed are promising for investigating the mechanisms of structural organization and transformation in DNA and polyelectrolyte complexes at the gas-liquid interface and for the design of new extremely thin highly ordered planar polymeric and composite materials, films, and coatings with controlled ultrastructure for applications in nanoelectronics and

  12. Geochemical modelling. Pt.1, Pt.2

    International Nuclear Information System (INIS)

    Skytte Jensen, B.; Jensen, H.; Pearson, F.J.

    1992-01-01

    This work is carried out under cost-sharing contract with the European Atomic Energy Community in the framework of its fourth research programme on radioactive waste management and radioactive waste storage. This final report is subdivided into two parts. In the first part, JENSEN, a computer code for the computation of chemical equilibria in aqueous systems, describes the structure, function and use of a new geochemical computer program intended for PC's. The program, which is written in Turbo Pascal, version 4, is fundamentally similar to most other geochemical programs, but combines in one program several of the merits these programs have. The intention has been to make an advanced program, which also should be user friendly and fast, and to attain this several new algorithms have been developed and implemented. The program has a built-in database mainly based on the CHEMVAL compilation containing data for 395 soluble species and 149 minerals. The program can find equilibria in the presence of all or some of these soluble species, under conditions or fixed or floating pH and / or Redox potential. The program by itself eliminates a bad guess of a candidate for precipitation. In the present version, the program can identify which minerals and how much of them there will be formed when equilibrium is established. In the second part, LITTLE JOE, an expert system to support geochemical modelling, describes the construction of a minor expert system for use in the evaluation of analytical data for the composition of ground waters from limestone formation. Although the example given is rather limited in scope, the application of the expert system for the evaluation of the analytical data clearly demonstrates the mature expert knowledge imbedded in the system which is contrasted with the uncritical acceptance of analytical or theoretical data. With the overall neglect of ion-exchange and the formation of solid solutions in geochemical calculations, geochemistry is

  13. Inverse Modeling of Water-Rock-CO2 Batch Experiments: Potential Impacts on Groundwater Resources at Carbon Sequestration Sites.

    Science.gov (United States)

    Yang, Changbing; Dai, Zhenxue; Romanak, Katherine D; Hovorka, Susan D; Treviño, Ramón H

    2014-01-01

    This study developed a multicomponent geochemical model to interpret responses of water chemistry to introduction of CO2 into six water-rock batches with sedimentary samples collected from representative potable aquifers in the Gulf Coast area. The model simulated CO2 dissolution in groundwater, aqueous complexation, mineral reactions (dissolution/precipitation), and surface complexation on clay mineral surfaces. An inverse method was used to estimate mineral surface area, the key parameter for describing kinetic mineral reactions. Modeling results suggested that reductions in groundwater pH were more significant in the carbonate-poor aquifers than in the carbonate-rich aquifers, resulting in potential groundwater acidification. Modeled concentrations of major ions showed overall increasing trends, depending on mineralogy of the sediments, especially carbonate content. The geochemical model confirmed that mobilization of trace metals was caused likely by mineral dissolution and surface complexation on clay mineral surfaces. Although dissolved inorganic carbon and pH may be used as indicative parameters in potable aquifers, selection of geochemical parameters for CO2 leakage detection is site-specific and a stepwise procedure may be followed. A combined study of the geochemical models with the laboratory batch experiments improves our understanding of the mechanisms that dominate responses of water chemistry to CO2 leakage and also provides a frame of reference for designing monitoring strategy in potable aquifers.

  14. Geochemical modelling of groundwater evolution using chemical equilibrium codes

    International Nuclear Information System (INIS)

    Pitkaenen, P.; Pirhonen, V.

    1991-01-01

    Geochemical equilibrium codes are a modern tool in studying interaction between groundwater and solid phases. The most common used programs and application subjects are shortly presented in this article. The main emphasis is laid on the approach method of using calculated results in evaluating groundwater evolution in hydrogeological system. At present in geochemical equilibrium modelling also kinetic as well as hydrologic constrains along a flow path are taken into consideration

  15. Functionalized granular activated carbon and surface complexation with chromates and bi-chromates in wastewater

    Energy Technology Data Exchange (ETDEWEB)

    Singha, Somdutta; Sarkar, Ujjaini, E-mail: usarkar@chemical.jdvu.ac.in; Luharuka, Pallavi

    2013-03-01

    Cr(VI) is present in the aqueous medium as chromate (CrO{sub 4}{sup 2−}) and bi-chromate (HCrO{sub 4}{sup −}). Functionalized granular activated carbons (FACs) are used as adsorbents in the treatment of wastewaters containing hexavalent chromium. The FACs are prepared by chemical modifications of granular activated carbons (GACs) using functionalizing agents like HNO{sub 3}, HCl and HF. The Brunauer, Emmett and Teller surface areas of FAC-HCl (693.5 m{sup 2}/g), FAC-HNO{sub 3} (648.8 m{sup 2}/g) and FAC-HF (726.2 m{sup 2}/g) are comparable to the GAC (777.7 m{sup 2}/g). But, the adsorption capacity of each of the FAC-HNO{sub 3}, FAC-HCl and FAC-HF is found to be higher than the GAC. The functional groups play an important role in the adsorption process and pH has practically no role in this specific case. The FACs have hydrophilic protonated external surfaces in particular, along with the functional surface sites capable to make complexes with the CrO{sub 4}{sup 2−} and HCrO{sub 4}{sup −} present. Surface complex formation is maximized in the order FAC-HNO{sub 3} > FAC-HF > FAC-HCl, in proportion to the total surface acidity. This is also confirmed by the well-known pseudo second-order kinetic model. Physi-sorption equilibrium isotherms are parameterized by using standard Freundlich and Langmuir models. Langmuir fits better. The formation of surface complexes with the functional groups and hexavalent chromium is also revealed in the images of field emission scanning electron micrograph; energy dispersive X-ray spectroscopy and Fourier transform infrared spectroscopy analysis after adsorption. The intra-particle diffusion is not the only rate-controlling factor. The Boyd's film diffusion model fits very well with R{sup 2} as high as 98.1% for FAC-HNO{sub 3}. This result demonstrates that the functionalization of the GAC by acid treatments would increase the diffusion rate, predominantly with a boundary layer diffusion effect. - Highlights: ► Physico

  16. Using advanced surface complexation models for modelling soil chemistry under forests: Solling forest, Germany

    Energy Technology Data Exchange (ETDEWEB)

    Bonten, Luc T.C., E-mail: luc.bonten@wur.nl [Alterra-Wageningen UR, Soil Science Centre, P.O. Box 47, 6700 AA Wageningen (Netherlands); Groenenberg, Jan E. [Alterra-Wageningen UR, Soil Science Centre, P.O. Box 47, 6700 AA Wageningen (Netherlands); Meesenburg, Henning [Northwest German Forest Research Station, Abt. Umweltkontrolle, Sachgebiet Intensives Umweltmonitoring, Goettingen (Germany); Vries, Wim de [Alterra-Wageningen UR, Soil Science Centre, P.O. Box 47, 6700 AA Wageningen (Netherlands)

    2011-10-15

    Various dynamic soil chemistry models have been developed to gain insight into impacts of atmospheric deposition of sulphur, nitrogen and other elements on soil and soil solution chemistry. Sorption parameters for anions and cations are generally calibrated for each site, which hampers extrapolation in space and time. On the other hand, recently developed surface complexation models (SCMs) have been successful in predicting ion sorption for static systems using generic parameter sets. This study reports the inclusion of an assemblage of these SCMs in the dynamic soil chemistry model SMARTml and applies this model to a spruce forest site in Solling Germany. Parameters for SCMs were taken from generic datasets and not calibrated. Nevertheless, modelling results for major elements matched observations well. Further, trace metals were included in the model, also using the existing framework of SCMs. The model predicted sorption for most trace elements well. - Highlights: > Surface complexation models can be well applied in field studies. > Soil chemistry under a forest site is adequately modelled using generic parameters. > The model is easily extended with extra elements within the existing framework. > Surface complexation models can show the linkages between major soil chemistry and trace element behaviour. - Surface complexation models with generic parameters make calibration of sorption superfluous in dynamic modelling of deposition impacts on soil chemistry under nature areas.

  17. Using advanced surface complexation models for modelling soil chemistry under forests: Solling forest, Germany

    International Nuclear Information System (INIS)

    Bonten, Luc T.C.; Groenenberg, Jan E.; Meesenburg, Henning; Vries, Wim de

    2011-01-01

    Various dynamic soil chemistry models have been developed to gain insight into impacts of atmospheric deposition of sulphur, nitrogen and other elements on soil and soil solution chemistry. Sorption parameters for anions and cations are generally calibrated for each site, which hampers extrapolation in space and time. On the other hand, recently developed surface complexation models (SCMs) have been successful in predicting ion sorption for static systems using generic parameter sets. This study reports the inclusion of an assemblage of these SCMs in the dynamic soil chemistry model SMARTml and applies this model to a spruce forest site in Solling Germany. Parameters for SCMs were taken from generic datasets and not calibrated. Nevertheless, modelling results for major elements matched observations well. Further, trace metals were included in the model, also using the existing framework of SCMs. The model predicted sorption for most trace elements well. - Highlights: → Surface complexation models can be well applied in field studies. → Soil chemistry under a forest site is adequately modelled using generic parameters. → The model is easily extended with extra elements within the existing framework. → Surface complexation models can show the linkages between major soil chemistry and trace element behaviour. - Surface complexation models with generic parameters make calibration of sorption superfluous in dynamic modelling of deposition impacts on soil chemistry under nature areas.

  18. Review of geochemical measurement techniques for a nuclear waste repository in bedded salt

    International Nuclear Information System (INIS)

    Knauss, K.G.; Steinborn, T.L.

    1980-01-01

    A broad, general review is presented of geochemical measurement techniques that can provide data necessary for site selection and repository effectiveness assessment for a radioactive waste repository in bedded salt. The available measurement techniques are organized according to the parameter measured. The list of geochemical parameters include all those measurable geochemical properties of a sample whole values determine the geochemical characteristics or behavior of the system. For each technique, remarks are made pertaining to the operating principles of the measurement instrument and the purpose for which the technique is used. Attention is drawn to areas where further research and development are needed

  19. Behaviour of nature and technogenic radioisotopes in buried geochemical barriers

    International Nuclear Information System (INIS)

    Kuznetsov, V.A.; Onoshko, M.P.; Generalova, V.A.

    1998-01-01

    Behaviour of potassium 40, radium 226, thorium 232, strontium 90 and cesium 137 on geochemical barriers connected with buried soils and cut-off meander sediments of the Holocene age of the Sozh river valley are examined. Some sides of the barrier geochemical structure caused by syngeneic and epigenetic processes have been taken into consideration

  20. Geochemical exploration for uranium

    International Nuclear Information System (INIS)

    Rose, A.W.

    1977-01-01

    The processes and types of dispersion that produce anomalies in stream water, stream sediment, and ground water, and the factors that must be considered in planning and interpreting geochemical surveys are reviewed. Examples of surveys near known deposits show the types of results to be expected. Background values depend mainly on the content of U in rocks of the drainage area. In igneous rocks, U tends to increase with potassium from ultramafic rocks (0.01 ppM) to granitic rocks (1 to 5 ppM). Some alkalic rocks have unusually high contents of U (15 to 100 ppM). Uranium-rich provinces marked by igneous rocks unusually rich in U are recognized in several areas and appear to have a deep crustal or mantle origin. In western U.S., many tertiary tuffaceous rocks have a high U content. Sandstones, limestones, and many shales approximate the crustal abundance at 0.5 to 4 ppM, but black shales, phosphates, and some organic materials are notably enriched in U. Uranium is very soluble in most oxidizing waters at the earth's surface, but is precipitated by reducing agents (organic matter, H 2 S) and adsorbed by organic material and some Fe oxides. In most surface and ground waters, U correlates approximately with the total dissolved solids, conductivity, and bicarbonate concentration of the water, and with the U content of rocks it comes into contact with. Most surveys of stream water near known districts show distinct anomalies extending a few km to tens of km downstream. A complication with water is the large variability with time, up to x 50, as a result of changes in the ratio of ground water to direct runoff, and changes in rate of oxidation and leaching. Collection and analysis of water samples also pose some difficulties

  1. Thermodynamic Data for Geochemical Modeling of Carbonate Reactions Associated with CO2 Sequestration - Literature Review

    International Nuclear Information System (INIS)

    Krupka, Kenneth M.; Cantrell, Kirk J.; McGrail, B. Peter

    2010-01-01

    Permanent storage of anthropogenic CO 2 in deep geologic formations is being considered as a means to reduce the concentration of atmospheric CO 2 and thus its contribution to global climate change. To ensure safe and effective geologic sequestration, numerous studies have been completed of the extent to which the CO 2 migrates within geologic formations and what physical and geochemical changes occur in these formations when CO 2 is injected. Sophisticated, computerized reservoir simulations are used as part of field site and laboratory CO 2 sequestration studies. These simulations use coupled multiphase flow-reactive chemical transport models and/or standalone (i.e., no coupled fluid transport) geochemical models to calculate gas solubility, aqueous complexation, reduction/oxidation (redox), and/or mineral solubility reactions related to CO 2 injection and sequestration. Thermodynamic data are critical inputs to modeling geochemical processes. The adequacy of thermodynamic data for carbonate compounds has been identified as an important data requirement for the successful application of these geochemical reaction models to CO 2 sequestration. A review of thermodynamic data for CO 2 gas and carbonate aqueous species and minerals present in published data compilations and databases used in geochemical reaction models was therefore completed. Published studies that describe mineralogical analyses from CO 2 sequestration field and natural analogue sites and laboratory studies were also reviewed to identify specific carbonate minerals that are important to CO 2 sequestration reactions and therefore require thermodynamic data. The results of the literature review indicated that an extensive thermodynamic database exists for CO 2 and CH 4 gases, carbonate aqueous species, and carbonate minerals. Values of Δ f G 298 o and/or log K r,298 o are available for essentially all of these compounds. However, log K r,T o or heat capacity values at temperatures above 298 K exist

  2. A Geochemical Mass-Balance Method for Base-Flow Separation, Upper Hillsborough River Watershed, West-Central Florida, 2003-2005 and 2009

    Science.gov (United States)

    Kish, G.R.; Stringer, C.E.; Stewart, M.T.; Rains, M.C.; Torres, A.E.

    2010-01-01

    Geochemical mass-balance (GMB) and conductivity mass-balance (CMB) methods for hydrograph separation were used to determine the contribution of base flow to total stormflow at two sites in the upper Hillsborough River watershed in west-central Florida from 2003-2005 and at one site in 2009. The chemical and isotopic composition of streamflow and precipitation was measured during selected local and frontal low- and high-intensity storm events and compared to the geochemical and isotopic composition of groundwater. Input for the GMB method included cation, anion, and stable isotope concentrations of surface water and groundwater, whereas input for the CMB method included continuous or point-sample measurement of specific conductance. The surface water is a calcium-bicarbonate type water, which closely resembles groundwater geochemically, indicating that much of the surface water in the upper Hillsborough River basin is derived from local groundwater discharge. This discharge into the Hillsborough River at State Road 39 and at Hillsborough River State Park becomes diluted by precipitation and runoff during the wet season, but retains the calcium-bicarbonate characteristics of Upper Floridan aquifer water. Field conditions limited the application of the GMB method to low-intensity storms but the CMB method was applied to both low-intensity and high-intensity storms. The average contribution of base flow to total discharge for all storms ranged from 31 to 100 percent, whereas the contribution of base flow to total discharge during peak discharge periods ranged from less than 10 percent to 100 percent. Although calcium, magnesium, and silica were consistent markers of Upper Floridan aquifer chemistry, their use in calculating base flow by the GMB method was limited because the frequency of point data collected in this study was not sufficient to capture the complete hydrograph from pre-event base-flow to post-event base-flow concentrations. In this study, pre-event water

  3. The impact of pre-restoration land-use and disturbance on sediment structure, hydrology and the sediment geochemical environment in restored saltmarshes.

    Science.gov (United States)

    Spencer, Kate L; Carr, Simon J; Diggens, Lucy M; Tempest, James A; Morris, Michelle A; Harvey, Gemma L

    2017-06-01

    Saltmarshes are being lost or degraded as a result of human activity resulting in loss of critical ecosystem services including the provision of wild species diversity, water quality regulation and flood regulation. To compensate, saltmarshes are being restored or re-created, usually driven by legislative requirements for increased habitat diversity, flood regulation and sustainable coastal defense. Yet, there is increasing evidence that restoration may not deliver anticipated ecosystem services; this is frequently attributed to poor drainage and sediment anoxia. However, physical sediment characteristics, hydrology and the sediment geochemical environment are rarely examined in restoration schemes, despite such factors being critical for plant succession. This study presents the novel integration of 3D-computed X-ray microtomography to quantify sediment structure and porosity, with water level and geochemical data to understand the impact of pre-restoration land use and disturbance on the structure and functioning of restored saltmarshes. The study combines a broad-scale investigation of physical sediment characteristics in nine de-embanked saltmarshes across SE England, with an intensive study at one site examining water levels, sediment structure and the sediment geochemical environment. De-embankment does not restore the hydrological regime, or the physical/chemical framework in the saltmarshes and evidence of disturbance includes a reduction in microporosity, pore connectivity and water storage capacity, a lack of connectivity between the sub-surface environment and overlying floodwaters, and impeded sub-surface water flow and drainage. This has significant consequences for the sediment geochemical environment. This disturbance is evident for at least two decades following restoration and is likely to be irreversible. It has important implications for plant establishment in particular, ecosystem services including flood regulation, nutrient cycling and wild

  4. Hydrogeological and geochemical studies in the Perch Lake basin

    International Nuclear Information System (INIS)

    Barry, P.J.

    1979-08-01

    The Perch Lake basin is a small drainage system along the Ottawa River about 200 km west of Ottawa on the Canadian Shield. Since 1975, groups of scientists from several Canadian universities and government departments have been studying the hydrological, geological and geochemical properties of the basin. The object of these studies is to develop and test simulation models used to describe the time-dependent mass flow rates of water and dissolved and suspended substances through the basin. To review progress, a symposium/workshop was held at Chalk Rier in 1978 April. This report contains 24 extended summaries of the material presented verbally at the workshop. Subject matters include atmospheric sources and sinks, mass flows through the surface and subsurface regimes in the drainage basins and interactions occurring in the lake. (author)

  5. GEOBASI: The geochemical Database of Tuscany Region (Italy

    Directory of Open Access Journals (Sweden)

    Brunella Raco

    2015-03-01

    Full Text Available In this study the new Regional Geochemical Database (RGDB, called GEOBASI, is presented and illustrated in the framework of a joint collaboration among the three Tuscan universities (Florence, Pisa and Siena, CNR-IGG (Institute of Geosciences and Earth Resources of Pisa, ARPAT (Regional Agency for the Environmental Protection, LAMMA (Environmental Modelling and Monitoring Laboratory for Sustainable Development Consortium and S.I.R.A. (Territorial and Environmental Informative System of Tuscany. The database has permitted the construction of a repository where the geochemical information (compositional and isotopic has been stored in a structured way so that it can be available for different groups of users (e.g. institutional, public and private companies. The information contained in the database can in fact be downloaded freely and queried to correlate geochemistry to other non compositional variables. The first phase of the project was aimed at promoting the use of the geochemical data already available from previous investigations through a powerful Web-GIS interface to implement the exploratory statistics graphical-numerical tools used to: 1 analyse the spatial variability of the investigated context, 2 highlight the geographic location of data pertaining to classes of values or single cases, 3 compare the results of different analytical methodologies applied to the determination of the same element and/or chemical species, 4 extract the geochemical data related to specific monitoring plans and/or geographical areas, and finally 5 recover information about data below the detection limit to understand their impact on the behaviour of the investigated variable. Developments of this project will be focused on the definition of rules and standardized methods in a way that external users could also interactively pursue the RGDB. Furthermore, a detailed investigation of the Scarlino-Follonica plain will permit the improvement and test of

  6. Geochemical Anomalies in the Sediments of Lake Druksiai

    International Nuclear Information System (INIS)

    Kleinas, A.

    1999-01-01

    In order to evaluate the impact of Ignalina Nuclear Power Plant (NPP) on natural processes in Lake Druksiai and accumulation of pollutants, in 19931997, carrying on the state scientific program, the Marine Geochemistry Division of the Institute of Geography performed lithological geochemical mapping of lake bottom sediments on a scale of 1 .50 000. The results obtained enabled to distinguish zones of higher anthropogenous geochemical load, where geochemical anomalies of pollutants, including oil hydrocarbons and heavy metals, had been taken into account. Applying concentration coefficients for oil hydrocarbons and heavy metals (Cr, Cu, Ni, Pb, and Zn) and their natural background, the attempt was made to differentiate natural and technogenous components in the geochemical anomalies As expected, the finer sediments -aleurite-pelite mud - showed amounts of oil hydrocarbons and heavy metals being 12.1 times higher than in fine sand - the most coarse of the sediments studied Sediments with organic mater exceeding 20% contained 11.7 times more pollutants than those with organic matter below 1 .5%. Calculations of concentration coefficients (CC) showed no elements in no stations exceeded 10 - the sediments did not reach the category of high pollution However, in many sites, the coefficients exceeded values of 1-2, thus, showing sediments attributable to the categories of weakly polluted or just polluted. Mapping model done by GIS methods (by superimposing schemes of pollutant CCs distribution in the lake and summing them) for geochemical anomalies two derivative map-schemes were obtained for oil hydrocarbons and heavy metals. They showed that clean sediments cover just 24.75% (according to the pollutant background for soil types) and 12.35% (according to the organic matter background for its amount intervals) lake bottom area. Zones slightly polluted by an element at least cover 69.7 and 80.29% of lake area, correspondingly; whereas zones slightly polluted by all

  7. Surface and Subsurface Geochemical Monitoring of an EOR-CO2 Field: Buracica, Brazil Monitoring géochimique en surface et sub-surface d’un gisement en production par récupération assistée et injection de CO2 : le champ de Buracica, Brésil

    Directory of Open Access Journals (Sweden)

    Magnier C.

    2012-04-01

    Full Text Available This paper presents a surface and subsurface geochemical survey of the Buracica EOR-CO2 field onshore Brazil. We adopted a methodology coupling the stable isotopes of carbon with noble gases to investigate the adequacy of geochemical monitoring to track deep fluid leakage at the surface. Three campaigns of CO2 flux and concentration in soils were performed to understand the CO2 variability across the field. The distribution of the CO2 soil contents between 0.8 and 14% is in great part controlled by the properties of the soil, with a first-order topographic dependency. These results, together with a δ13CCO2 between –15 and –23‰, suggest that the bulk of the soil CO2 flux is biological. The gas injected and produced at numerous wells across the field showed a great spatial and somewhat temporal heterogeneity with respect to molecular, δ13CCO2 and noble gas compositions. This heterogeneity is a consequence of the EOR-induced sweeping of the petroleum fluids by the injected CO2, producing a heterogeneous mixing controlled by the production scheme and the distribution in reservoir permeability. In light of the δ13CCO2 found in the reservoir, the stable isotopic composition of carbon was insufficient to track CO2 leaks at the surface. We demonstrate how noble gases may be powerful leak discriminators, even for CO2 abundances in soils in the bottom range of the biological baseline (~1%. The results presented in this study show the potential of geochemical monitoring techniques, involving stable isotopes and noble gases at the reservoir and soil levels, for tracing CO2 in CCS projects. Le monitoring géochimique du gisement de Buracica, qui produit des hydrocarbures par récupération assistée et injection de dioxyde de carbone, est présenté dans cet article. Une méthodologie permettant de coupler l’utilisation des isotopes stables du carbone et des isotopes des gaz rares pour étudier la faisabilité de traçage d’une fuite de CO2 du r

  8. Drowning in Geochemical Data: The Good, the bad, and the Ugly

    Science.gov (United States)

    Hofmann, A. W.; Goldstein, S. L.

    2008-12-01

    Geochemical databases are placing unprecedented amounts of geochemical data at the fingertips of professionals and students. How these data are being used is taking an increasingly important role in shaping our thinking about the Earth. Databases have helped to expose (and eventually kill?) some long- cherished myths, such as the idea of the well-homogenized upper-mantle reservoir, and and they have made geochemical data accessible to geophysicists and enabled them to look at geochemistry with fresh eyes, leading to genuinely new insights. Yet, their very accessibility also makes them "dangerous tools" in the hands of the inexperienced. Statistical treatment of masses of geochemical data without, or with excessive, filtering can yield all sorts of "answers" we would probably be better off without. Data that are severely flawed (due to alteration or poor analytical quality, errors in published data, or errors during data entry) might not be easily identified by, say, a geodynamicist. Other dangers stem from overrepresentation of over-sampled locations and the general, but faulty, assumption of random sampling of the Earth. We will show examples where raw downloads of data from databases without extensive screening can yield data collections where the garbage swamps the useful information. We will also show impressive but meaningless correlations, e.g. upper-mantle temperature versus atmospheric temperature. The lesson is that screening is necessary. On the other hand, sound database compilations now demonstrate that average incompatible-element concentrations in global MORB are two to five times higher than published estimates. This fundamentally changes 30-year-old geochemical mass balance estimates of the mantle. OIBs are fundamentally similar to MORBs but are isotopically shifted, on average, to more "enriched" values. Mantle geochemistry is now fully consistent with dynamic models of "whole-mantle" circulation, with the likely exception of a relatively small

  9. The geochemical environment of nuclear fuel waste disposal

    International Nuclear Information System (INIS)

    Gascoyne, M.

    1995-01-01

    The concept for disposal of Canada's nuclear fuel waste in a geologic environment on the Canadian Shield has recently been presented by Atomic Energy of Canada Limited (AECL) to governments, scientists, and the public, for review. An important part of this concept concerns the geochemical environment of a disposal vault and includes consideration of rock and groundwater compositions, geochemical interactions between rocks, groundwaters, and emplaced vault materials, and the influences and significance of anthropogenic and microbiological effects following closure of the vault. This paper summarizes the disposal concept and examines aspects of the geochemical environment. The presence of saline groundwaters and reducing conditions at proposed vault depths (500-1000 m) in the Canadian Shield has an important bearing on the stability of the used nuclear fuel, its container, and buffer and backfill materials. The potential for introduction of anthropogenic contaminants and microbes during site investigations and vault excavation, operation, and sealing is described with examples from AECL's research areas on the Shield and in their underground research laboratory in southeastern Manitoba. (author)

  10. Well sediments: a medium for geochemical prospecting, an example from the Nisa region, Portugal

    NARCIS (Netherlands)

    Vriend, S.P.; Dekkers, M.J.; Janssen, M.A.; Commandeur, J.

    1991-01-01

    Vriend, S.P., Dekkers, M.J.. Janssen, M.A. and Commandeur, J., 1991. Well sediments: a medium for geochemical prospecting, an example from the Nisa region. Portugal. In: A.W. Rose and P.M. Taufen I Editors). Geochemical Exploration ! 989. J. Geochem. Expior., 4 ! : ! 5 I- 167. Tile potential of

  11. Up-Scaling Geochemical Reaction Rates for Carbon Dioxide (CO2) in Deep Saline Aquifers

    Energy Technology Data Exchange (ETDEWEB)

    Peters, Catherine A

    2013-02-28

    Geochemical reactions in deep subsurface environments are complicated by the consolidated nature and mineralogical complexity of sedimentary rocks. Understanding the kinetics of these reactions is critical to our ability to make long-term predictions about subsurface processes such as pH buffering, alteration in rock structure, permeability changes, and formation of secondary precipitates. In this project, we used a combination of experiments and numerical simulation to bridge the gap between our knowledge of these reactions at the lab scale and rates that are meaningful for modeling reactive transport at core scales. The focus is on acid-driven mineral dissolution, which is specifically relevant in the context of CO2-water-rock interactions in geological sequestration of carbon dioxide. The project led to major findings in three areas. First, we modeled reactive transport in pore-network systems to investigate scaling effects in geochemical reaction rates. We found significant scaling effects when CO2 concentrations are high and reaction rates are fast. These findings indicate that the increased acidity associated with geological sequestration can generate conditions for which proper scaling tools are yet to be developed. Second, we used mathematical modeling to investigate the extent to which SO2, if co-injected with CO2, would acidify formation brines. We found that there exist realistic conditions in which the impact on brine acidity will be limited due to diffusion rate-limited SO2 dissolution from the CO2 phase, and the subsequent pH shift may also be limited by the lack of availability of oxidants to produce sulfuric acid. Third, for three Viking sandstones (Alberta sedimentary basin, Canada), we employed backscattered electron microscopy and energy dispersive X-ray spectroscopy to statistically characterize mineral contact with pore space. We determined that for reactive minerals in sedimentary consolidated rocks, abundance alone is not a good predictor of

  12. Colour interceptions, thermal stability and surface morphology of polyester metal complexes

    International Nuclear Information System (INIS)

    Zohdy, M.H.

    2005-01-01

    Chelating copolymers via grafting of acrylic acid (AAc) and acrylamide (AAm/AAc) comonomer mixture onto polyester micro fiber fabrics (PETMF) using gamma-radiation technique were prepared. The prepared graft chains (PETMF-g-AAc) and (PETMF-g-PAAc/PAAm) acted as chelating sites for some selected transition metal ions. The prepared graft copolymers and their metal complexes were characterized using thermogravimetric analysis (TGA), colour parameters and surface morphology measurements. The colour interception and strength measurements showed that the metal complexation is homogeneously distributed. The results showed that the thermal stability of PETMF was improved after graft copolymerization and metal complexes. Moreover, the degree of grafting enhanced the thermal stability values of the grafted and complexed copolymers up to 25% of magnitude, on the other hand the activation energy of the grafted-copolymer with acrylic acid increased up to 80%. The SEM observation gives further supports to the homogenous distribution of grafting and metal complexation

  13. Stepwise magnetic-geochemical approach for efficient assessment of heavy metal polluted sites

    Science.gov (United States)

    Appel, E.; Rösler, W.; Ojha, G.

    2012-04-01

    Previous studies have shown that magnetometry can outline the distribution of fly ash deposition in the surroundings of coal-burning power plants and steel industries. Especially the easy-to-measure magnetic susceptibility (MS) is capable to act as a proxy for heavy metal (HM) pollution caused by such kind of point source pollution. Here we present a demonstration project around the coal-burning power plant complex "Schwarze Pumpe" in eastern Germany. Before reunification of West and East Germany huge amounts of HM pollutants were emitted from the "Schwarze Pumpe" into the environment by both fly ash emission and dumped clinker. The project has been conducted as part of the TASK Centre of Competence which aims at bringing new innovative techniques closer to the market. Our project combines in situ and laboratory MS measurements and HM analyses in order to demonstrate the efficiency of a stepwise approach for site assessment of HM pollution around point sources of fly-ash emission and deposition into soil. The following scenario is played through: We assume that the "true" spatial distribution of HM pollution (given by the pollution load index PLI comprising Fe, Zn, Pb, and Cu) is represented by our entire set of 85 measured samples (XRF analyses) from forest sites around the "Schwarze Pumpe". Surface MS data (collected with a Bartington MS2D) and in situ vertical MS sections (logged by an SM400 instrument) are used to determine a qualitative overview of potentially higher and lower polluted areas. A suite of spatial HM distribution maps obtained by random selections of 30 out of the 85 analysed sites is compared to the HM map obtained from a targeted 30-sites-selection based on pre-information from the MS results. The PLI distribution map obtained from the targeted 30-sites-selection shows all essential details of the "true" pollution map, while the different random 30-sites-selections miss important features. This comparison shows that, for the same cost

  14. Geochemical patterns and microbial contribution to iron plaque formation in the rice plant rhizosphere

    Science.gov (United States)

    Maisch, Markus; Murata, Chihiro; Unger, Julia; Kappler, Andreas; Schmidt, Caroline

    2015-04-01

    Rice is the major food source for more than half of the world population and 80 percent of the worldwide rice cultivation is performed on water logged paddy soils. The establishment of reducing conditions in the soil and across the soil-water interface not only stimulates the microbial production and release of the greenhouse gas methane. These settings also create optimal conditions for microbial iron(III) reduction and therefore saturate the system with reduced ferrous iron. Through the reduction and dissolution of ferric minerals that are characterized by their high surface activity, sorbed nutrients and contaminants (e.g. arsenic) will be mobilized and are thus available for uptake by plants. Rice plants have evolved a strategy to release oxygen from their roots in order to prevent iron toxification in highly ferrous environments. The release of oxygen to the reduced paddy soil causes ferric iron plaque formation on the rice roots and finally increases the sorption capacity for toxic metals. To this date the geochemical and microbiological processes that control the formation of iron plaque are not deciphered. It has been hypothesized that iron(II)-oxidizing bacteria play a potential role in the iron(III) mineral formation along the roots. However, not much is known about the actual processes, mineral products, and geochemical gradients that establish within the rhizosphere. In the present study we have developed a growth set-up that allows the co-cultivation of rice plants and iron(II)-oxidizing bacteria, as well as the visual observation and in situ measurement of geochemical parameters. Oxygen and dissolved iron(II) gradients have been measured using microelectrodes and show geochemical hot spots that offer optimal growth conditions for microaerophilic iron(II) oxidizers. First mineral identification attempts of iron plaque have been performed using Mössbauer spectroscopy and microscopy. The obtained results on mineraology and crystallinity have been

  15. Kriging - a challenge in geochemical mapping

    Czech Academy of Sciences Publication Activity Database

    Štojdl, J.; Matys Grygar, Tomáš; Elznicová, J.; Popelka, J.; Váchová, T.; Hošek, Michal

    2017-01-01

    Roč. 19, APR (2017) ISSN 1607-7962. [EGU General Assembly 2017. 23.04.2017-28.04.2017, Vienna] Institutional support: RVO:61388980 Keywords : kriging * geochemical mapping Subject RIV: DD - Geochemistry http://meetingorganizer.copernicus.org/EGU2017/EGU2017-3615.pdf

  16. Unravelling the magmatic system beneath a monogenetic volcanic complex (Jagged Rocks Complex, Hopi Buttes, AZ, USA)

    Science.gov (United States)

    Re, G.; Palin, J. M.; White, J. D. L.; Parolari, M.

    2017-12-01

    The Jagged Rocks complex is the eroded remnant of the plumbing systems of closely spaced monogenetic alkaline volcanic centres in the southern Hopi Buttes Volcanic Field (AZ, USA). It contains different clinopyroxene populations with distinctive textures and geochemical patterns. In the Northwestern part of the complex, which exposes the best developed system of conduits, most of the clinopyroxenes consist of large- to medium-sized resorbed cores overgrown by euhedral rims (type 1), small moderately resorbed greenish cores with the same overgrown rims (type 2), and phlogopite as an accessory phase. By contrast, in the Southern part of the complex the majority of clinopyroxenes are euhedral with oscillatory zonation (type 3) and are accompanied by minor euhedral olivine. The differences between these mineral assemblages indicate a composite history of crystallization and magmatic evolution for the two parts of the complex, governed by different mechanisms and ascent patterns from a single source at 50 km depth (16 kbar). The Northwest system preserves a high-pressure assemblage that cooled rapidly from near-liquidus conditions, suggesting direct ascent from the source to the surface at high-to-moderate transport rates (average 1.25 m/s). By contrast, the Southern system represents magma that advanced upward at much lower overall ascent rates, stalling at times to form small-volume mid-crustal storage zones (e.g., sills or a network of sheeted intrusions); this allowed the re-equilibration of the magma at lower pressure ( 30 km; 8 kbar), and led to nucleation and growth of euhedral clinopyroxene and olivine phenocrysts.

  17. TOUGHREACT User's Guide: A Simulation Program for Non-isothermal Multiphase Reactive geochemical Transport in Variably Saturated Geologic Media

    International Nuclear Information System (INIS)

    Xu, Tianfu; Sonnenthal, Eric; Spycher, Nicolas; Pruess, Karsten

    2004-01-01

    Coupled modeling of subsurface multiphase fluid and heat flow, solute transport and chemical reactions can be used for the assessment of mineral alteration in hydrothermal systems, waste disposal sites, acid mine drainage remediation, contaminant transport, and groundwater quality. A comprehensive non-isothermal multi-component reactive fluid flow and geochemical transport simulator, TOUGHREACT, has been developed. A wide range of subsurface thermo-physical-chemical processes is considered under various thermohydrological and geochemical conditions of pressure, temperature, water saturation, and ionic strength. The program can be applied to one-, two- or three-dimensional porous and fractured media with physical and chemical heterogeneity. The model can accommodate any number of chemical species present in liquid, gas and solid phases. A variety of equilibrium chemical reactions are considered, such as aqueous complexation, gas dissolution/exsolution, and cation exchange. Mineral dissolution/precipitation can proceed either subject to local equilibrium or kinetic conditions. Changes in porosity and permeability due to mineral dissolution and precipitation can be considered. Linear adsorption and decay can be included. For the purpose of future extensions, surface complexation by double layer model is coded in the program. Xu and Pruess (1998) developed a first version of a non-isothermal reactive geochemical transport model, TOUGHREACT, by introducing reactive geochemistry into the framework of the existing multi-phase fluid and heat flow code TOUGH2 (Pruess, 1991). Xu, Pruess, and their colleagues have applied the program to a variety of problems such as: (1) supergene copper enrichment (Xu et al, 2001), (2) caprock mineral alteration in a hydrothermal system (Xu and Pruess, 2001a), and (3) mineral trapping for CO 2 disposal in deep saline aquifers (Xu et al, 2003b and 2004a). For modeling the coupled thermal, hydrological, and chemical processes during heater

  18. Study of solid/liquid and solid/gas interfaces in Cu–isoleucine complex by surface X-ray diffraction

    International Nuclear Information System (INIS)

    Ferrer, Pilar; Rubio-Zuazo, Juan; Castro, German R.

    2013-01-01

    The enzymes could be understood like structures formed by amino acids bonded with metals, which act as active sites. The research on the coordination of metal–amino acid complexes will bring light on the behavior of metal enzymes, due to the close relation existing between the atomic structure and the functionality. The Cu–isoleucine bond is considered as a good model system to attain a better insight into the characteristics of naturally occurring copper metalloproteins. The surface structure of metal–amino acid complex could be considered as a more realistic model for real systems under biologic working conditions, since the molecular packing is decreased. In the surface, the structural constrains are reduced, keeping the structural capability of surface complex to change as a function of the surrounding environment. In this work, we present a surface X-ray diffraction study on Cu–isoleucine complex under different ambient conditions. Cu(Ile) 2 crystals of about 5 mm × 5 mm × 1 mm have been growth, by seeding method in a supersaturated solution, presenting a surface of high quality. The sample for the surface diffraction study was mounted on a cell specially designed for solid/liquid or solid/gas interface analysis. The Cu–isoleucine crystal was measured under a protective dry N 2 gas flow and in contact with a saturated metal amino acid solution. The bulk and the surface signals were compared, showing different atomic structures. In both cases, from surface diffraction data, it is observed that the atomic structure of the top layer undergoes a clear structural deformation. A non-uniform surface relaxation is observed producing an inhomogeneous displacement of the surface atoms towards the surface normal.

  19. Role of geochemical background at evaluation of investment attractiveness of recreational territories

    Directory of Open Access Journals (Sweden)

    Vdovina Ol'ga Konstantinovna

    2014-09-01

    Full Text Available The article shows the role of natural geochemical background when estimating investment attractiveness of recreational areas. It is noted, that geochemical background influence on people's sickness rate isn't considered now. Though it's understood, that even insignificant increase of geochemical background in relation to percentage abundance of Earth crest may lead to endemic diseases of people, animals and plants. An indicator of geochemical endemicity areas was proposed for assessing the impact of storage elements and of a lack of geological environment on human health. Thanks to this measure, and taking into account landscape features of the area, the authors allocated lands, dangerous and potentially dangerous in terms of endemicity. The importance of ratings was achieved by the use of those factors that could have a great influence on the cost of land development. This includes, first of all, the factors that affect population health, and economic and geographic factors that minimize the cost of the territory development and the factors that give rise to financial risks and risks of human losses. The main risk factors include: potential ecological and geochemical risk; high absolute heights, development and activity of dangerous geological processes and phenomena. Systemacity of researches was reached by using factors, that characterize the object from different aspects; readiness of area infrastructure to its exploration and possible risks. Objectivity was achieved by the use of figures obtained from the results of geochemical and engineering surveys with their metrological support.

  20. Geochemical evidence for waning magmatism and polycyclic volcanism at Crater Flat, Nevada

    International Nuclear Information System (INIS)

    Perry, F.V.; Crowe, B.M.

    1992-01-01

    This paper reports that petrologic and geochemical studies of basaltic rocks in the Yucca Mountain region are currently focused on understanding the evolution of volcanism in the Crater Flat volcanic field and the mechanisms of polycyclic volcanic field and the mechanisms of polycyclic volcanism at the Lathrop Wells volcanic center, the youngest center in the Crater Flat volcanic field. Geochemical and petrologic data indicate that the magma chambers which supplied the volcanic centers at Crater Flat became situated at greater crustal depths as the field evolved. Deep magma chambers may be related to a waning magma flux that was unable to sustain upper crustal magma conduits and chambers. Geochemical data from the Lathrop Wells volcanic center indicate that eruptive units identified from field and geomorphic relationships are geochemically distinct. The geochemical variations cannot be explained by fractional crystallization of a single magma batch, indicating that several magma batches were involved in the formation of the Lathrop Wells center. Considering the low magma flux in the Yucca Mountain region in the Quaternary, the probability of several magma batches erupting essentially simultaneously at Lathrop Wells is considered remote

  1. Thermodynamic Data for Geochemical Modeling of Carbonate Reactions Associated with CO2 Sequestration – Literature Review

    Energy Technology Data Exchange (ETDEWEB)

    Krupka, Kenneth M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Cantrell, Kirk J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); McGrail, B. Peter [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2010-09-01

    Permanent storage of anthropogenic CO2 in deep geologic formations is being considered as a means to reduce the concentration of atmospheric CO2 and thus its contribution to global climate change. To ensure safe and effective geologic sequestration, numerous studies have been completed of the extent to which the CO2 migrates within geologic formations and what physical and geochemical changes occur in these formations when CO2 is injected. Sophisticated, computerized reservoir simulations are used as part of field site and laboratory CO2 sequestration studies. These simulations use coupled multiphase flow-reactive chemical transport models and/or standalone (i.e., no coupled fluid transport) geochemical models to calculate gas solubility, aqueous complexation, reduction/oxidation (redox), and/or mineral solubility reactions related to CO2 injection and sequestration. Thermodynamic data are critical inputs to modeling geochemical processes. The adequacy of thermodynamic data for carbonate compounds has been identified as an important data requirement for the successful application of these geochemical reaction models to CO2 sequestration. A review of thermodynamic data for CO2 gas and carbonate aqueous species and minerals present in published data compilations and databases used in geochemical reaction models was therefore completed. Published studies that describe mineralogical analyses from CO2 sequestration field and natural analogue sites and laboratory studies were also reviewed to identify specific carbonate minerals that are important to CO2 sequestration reactions and therefore require thermodynamic data. The results of the literature review indicated that an extensive thermodynamic database exists for CO2 and CH4 gases, carbonate aqueous species, and carbonate minerals. Values of ΔfG298° and/or log Kr,298° are available for essentially all of these compounds. However, log Kr,T° or heat capacity values at temperatures above 298 K exist for less than

  2. Determination of premining geochemical background and delineation of extent of sediment contamination in Blue Creek downstream from Midnite Mine, Stevens County, Washington

    Science.gov (United States)

    Church, Stan E.; Kirschner, Frederick E.; Choate, LaDonna M.; Lamothe, Paul J.; Budahn, James R.; Brown, Zoe Ann

    2008-01-01

    geochemical background determined upstream of the mine site. Postmining metal concentrations in sediment are lower than during the mining period, but remain elevated relative to premining geochemical background. Furthermore, the sediment composition of surface sediment in the Blue Creek delta is contaminated. Base-metal contamination by arsenic, cadmium, lead, and zinc in sediment in the delta in Blue Creek cove is dominated by suspended sediment from the Coeur d?Alene mining district. Uranium contamination in surface sediment in the delta of Blue Creek cove extends at least 500 meters downstream from the mouth of Blue Creek as defined by the 1,290-ft elevation boundary between lands administered by the National Park Service and the Spokane Indian Tribe. Comparisons of the premining geochemical background to sediment sampled during the period the mine was in operation, and to the sediment data from the postmining period, are used to delineate the extent of contaminated sediment in Blue Creek cove along the thalweg of Blue Creek into Lake Roosevelt. The extent of contamination out into Lake Roosevelt by mining remains open.

  3. Cs-137 behaviour in landscape-geochemical structures of barrier complexes

    International Nuclear Information System (INIS)

    Strakh, L.I.; Ivashkevich, I.I.; Adamovich, A.A.; Zarubin, O.L.

    1998-01-01

    The Cs-137 distribution and cumulation accrues more actively in a marsh ecological systems of barrier complexes. The physical chemical and biogeochemical barriers influence on different way on these processes

  4. Study of the coupling of geochemical models based on thermodynamic equilibrium with models of component transfer as solutions in porous media or fractures

    International Nuclear Information System (INIS)

    Coudrain-Ribstein, A.

    1985-01-01

    This study is a contribution of analyses possibilities of modelling the transfer of components in the underground taking into account complexes geochemical phenomena. In the first part, the aim and the methodology of existing codes are presented. The transfer codes describe with a great precision the physical phenomena of transport but they are based on a very simple conceptualisation of the geochemical phenomena of retention by the rock. The geochemical models are interested by a stable unity of volume. They allow to compute the equilibrium distribution of the components between the chemical species of the solution, and the solid and gaseous phases. They use important thermodynamic data bases corresponding to each possible reaction. To sum up the situation about the geochemical codes in Europe and United States, a list of about thirty codes describe their method and potentialities. The mathematical analysis of the different methods used in both types of codes is presented. Then, the principles of a modelisation associating the potentialities of the transport codes and the geochemical codes are discussed. It is not possible to think of a simple coupling. A general code must be established on the bases of the existing codes but also on new concepts and under new constraints. In such studies one must always deal with the problem of the reactions kinetics. When the velocity of the reactions is big enough versus the velocity of transport processes, the assumption of local geochemical equilibrium can be retained. A general code would be very cumbersome, expensive and difficult to use. The results would be difficult to analyse and exploit. On the other hand, for each case study, a detailed analysis can point out many computing simplifications without simplifying the concepts [fr

  5. Oak Ridge Geochemical Reconnaissance Program

    International Nuclear Information System (INIS)

    Arendt, J.W.

    1977-03-01

    The Oak Ridge reconnaissance program is responsible for the geochemical survey in a 12-state area covering Texas, Oklahoma, Kansas, Nebraska, South Dakota, North Dakota, Minnesota, Wisconsin, Michigan, Iowa, Indiana, and Illinois as part of the National Uranium Resource Evaluation Program. The program concept is outlined and the planning and organization of the program is discussed

  6. Geochemical evolution of acidic ground water at a reclaimed surface coal mine in western Pennsylvania

    Science.gov (United States)

    Cravotta,, Charles A.

    1991-01-01

    Concentrations of dissolved sulfate and acidity in ground water increase downflow in mine spoil and underlying bedrock at a reclaimed surface coal mine in the bituminous field of western Pennsylvania. Elevated dissolved sulfate and negligible oxygen in ground water from bedrock about 100 feet below the water table suggest that pyritic sulfur is oxidized below the water table, in a system closed to oxygen. Geochemical models for the oxidation of pyrite (FeS2) and production of sulfate (SO42-) and acid (H+) are presented to explain the potential role of oxygen (O2) and ferric iron (Fe3+) as oxidants. Oxidation of pyrite by O2 and Fe3+ can occur under oxic conditions above the water table, whereas oxidation by Fe3+ also can occur under anoxic conditions below the water table. The hydrated ferric-sulfate minerals roemerite [Fe2+Fe43+(SO4)4·14H2O], copiapite [Fe2+Fe43+(SO4)6(OH)2·20H20], and coquimbite [Fe2(SO4)3·9H2O] were identified with FeS2 in coal samples, and form on the oxidizing surface of pyrite in an oxic system above the water table. These soluble ferric-sulfate 11 salts11 can dissolve with recharge waters or a rising water table releasing Fe3+, SO42-. and H+, which can be transported along closed-system ground-water flow paths to pyrite reaction sites where O2 may be absent. The Fe3+ transported to these sites can oxidize pyritic sulfur. The computer programs WATEQ4F and NEWBAL were used to compute chemical speciation and mass transfer, respectively, considering mineral dissolution and precipitation reactions plus mixing of waters from different upflow zones. Alternative mass-balance models indicate that (a) extremely large quantities of O2, over 100 times its aqueous solubility, can generate the observed concentrations of dissolved SO42- from FeS2, or (b) under anoxic conditions, Fe3+ from dissolved ferric-sulfate minerals can oxidize FeS2 along closed-system ground-water flow paths. In a system open to O2, such as in the unsaturated zone, the aqueous

  7. Early bone anchorage to micro- and nano-topographically complex implant surfaces in hyperglycemia.

    Science.gov (United States)

    Ajami, Elnaz; Bell, Spencer; Liddell, Robert S; Davies, John E

    2016-07-15

    The aim of this work was to investigate the effect of implant surface design on early bone anchorage in the presence of hyperglycemia. 108 Wistar rats were separated into euglycemic (EG) controls and STZ-treated hyperglycemic (HG) groups, and received bilateral femoral custom rectangular implants of two surface topographies: grit blasted (GB) and grit-blast with a superimposed calcium phosphate nanotopography (GB-DCD). The peri-implant bone was subjected to a tensile disruption test 5, 7, and 9days post-operatively (n=28/time point); the force was measured; and the residual peri-implant bone was observed by scanning electron microscopy (SEM). Disruption forces at 5days were not significantly different from zero for the GB implants (p=0.24) in either metabolic group; but were for GB+DCD implants in both metabolic groups (pmicro-surfaced implants showed significantly different disruption forces at all time points (e.g. >15N and implants, as all values were very low (implant bone showed compromised intra-fibrillar collagen mineralization in hyperglycemia, while inter-fibrillar and cement line mineralization remained unaffected. Enhanced bone anchorage to the implant surfaces was observed on the nanotopographically complex surface independent of metabolic group. The compromised intra-fibrillar mineralization observed provides a mechanism by which early bone mineralization is affected in hyperglycemia. It is generally accepted that the hyperglycemia associated with diabetes mellitus compromises bone quality, although the mechanism by which this occurs is unknown. Uncontrolled hyperglycemia is therefore a contra-indication for bone implant placement. It is also known that nano-topographically complex implant surfaces accelerate early peri-implant healing. In this report we show that, in our experimental model, nano-topographically complex surfaces can mitigate the compromised bone healing seen in hyperglycemia. Importantly, we also provide a mechanistic explanation for

  8. A reworked Lake Zone margin: Chronological and geochemical constraints from the Ordovician arc-related basement of the Hovd Zone (western Mongolia)

    Science.gov (United States)

    Soejono, Igor; Buriánek, David; Janoušek, Vojtěch; Svojtka, Martin; Čáp, Pavel; Erban, Vojtěch; Ganpurev, Nyamtsetseg

    2017-12-01

    The primary relationships and character of the boundaries between principal lithotectonic domains in the Mongolian tract of the Central Asian Orogenic Belt (CAOB) are still poorly constrained. This brings much uncertainty in understanding of the orogeny configuration and the complete accretionary history. The plutonic Khuurai Tsenkher Gol Complex and the mainly metasedimentary Bij Group represent associated medium- to high-grade basement complexes exposed in the Hovd Zone close to its boundary with the Lake Zone in western Mongolia. The Khuurai Tsenkher Gol Complex is composed of variously deformed acid to basic magmatic rocks intimately associated with the metamorphosed sedimentary and volcanic rocks of the Bij Group. Results of our field work, new U-Pb zircon ages and whole-rock geochemical data suggest an existence of two separate magmatic events within the evolution of the Khuurai Tsenkher Gol Complex. Early to Mid-Ordovician (476 ± 5 Ma and 467 ± 4 Ma protoliths) normal- to high-K calc-alkaline orthogneisses, metadiorites and metagabbros predominate over Mid-Silurian (430 ± 3 Ma) tholeiitic-mildly alkaline quartz monzodiorites. Whereas the geochemical signature of the former suite unequivocally demonstrates its magmatic-arc origin, that of the latter quartz monzodiorite suggests an intra-plate setting. As shown by Sr-Nd isotopic data, the older arc-related magmas were derived from depleted mantle and/or were generated by partial melting of juvenile metabasic crust. Detrital zircon age populations of the metasedimentary rocks together with geochemical signatures of the associated amphibolites imply that the Bij Group was a volcano-sedimentary sequence, formed probably in the associated fore-arc wedge basin. Moreover, our data argue for an identical provenance of the Altai and Hovd domains, overall westward sediment transport during the Early Palaeozoic and the east-dipping subduction polarity. The obvious similarities of the Khuurai Tsenkher Gol Complex

  9. Compilation of kinetic data for geochemical calculations

    International Nuclear Information System (INIS)

    Arthur, R.C.; Savage, D.; Sasamoto, Hiroshi; Shibata, Masahiro; Yui, Mikazu

    2000-01-01

    Kinetic data, including rate constants, reaction orders and activation energies, are compiled for 34 hydrolysis reactions involving feldspars, sheet silicates, zeolites, oxides, pyroxenes and amphiboles, and for similar reactions involving calcite and pyrite. The data are compatible with a rate law consistent with surface reaction control and transition-state theory, which is incorporated in the geochemical software package EQ3/6 and GWB. Kinetic data for the reactions noted above are strictly compatible with the transition-state rate law only under far-from-equilibrium conditions. It is possible that the data are conceptually consistent with this rate law under both far-from-equilibrium and near-to-equilibrium conditions, but this should be confirmed whenever possible through analysis of original experimental results. Due to limitations in the availability of kinetic data for mine-water reactions, and in order to simplify evaluations of geochemical models of groundwater evolution, it is convenient to assume local-equilibrium in such models whenever possible. To assess whether this assumption is reasonable, a modeling approach accounting for couple fluid flow and water-rock interaction is described that can be use to estimate spatial and temporal scale of local equilibrium. The approach is demonstrated for conditions involving groundwater flow in fractures at JNC's Kamaishi in-situ tests site, and is also used to estimate the travel time necessary for oxidizing surface waters to migrate to the level of a HLW repository in crystalline rock. The question of whether local equilibrium is a reasonable assumption must be addressed using an appropriate modeling approach. To be appropriate for conditions at the Kamaishi site using the modeling approach noted above, the fracture fill must closely approximate a porous mine, groundwater flow must be purely advective and diffusion of solutes across the fracture-host rock boundary must not occur. Moreover, the mineralogical and

  10. Enhancing the magnetic anisotropy of maghemite nanoparticles via the surface coordination of molecular complexes

    Science.gov (United States)

    Prado, Yoann; Daffé, Niéli; Michel, Aude; Georgelin, Thomas; Yaacoub, Nader; Grenèche, Jean-Marc; Choueikani, Fadi; Otero, Edwige; Ohresser, Philippe; Arrio, Marie-Anne; Cartier-dit-Moulin, Christophe; Sainctavit, Philippe; Fleury, Benoit; Dupuis, Vincent; Lisnard, Laurent; Fresnais, Jérôme

    2015-01-01

    Superparamagnetic nanoparticles are promising objects for data storage or medical applications. In the smallest—and more attractive—systems, the properties are governed by the magnetic anisotropy. Here we report a molecule-based synthetic strategy to enhance this anisotropy in sub-10-nm nanoparticles. It consists of the fabrication of composite materials where anisotropic molecular complexes are coordinated to the surface of the nanoparticles. Reacting 5 nm γ-Fe2O3 nanoparticles with the [CoII(TPMA)Cl2] complex (TPMA: tris(2-pyridylmethyl)amine) leads to the desired composite materials and the characterization of the functionalized nanoparticles evidences the successful coordination—without nanoparticle aggregation and without complex dissociation—of the molecular complexes to the nanoparticles surface. Magnetic measurements indicate the significant enhancement of the anisotropy in the final objects. Indeed, the functionalized nanoparticles show a threefold increase of the blocking temperature and a coercive field increased by one order of magnitude. PMID:26634987

  11. Effects of humic substances on the migration of radionuclides: Complexation of actinides with humic substances

    International Nuclear Information System (INIS)

    Kim, J.I.; Rhee, D.S.; Wimmer, H.; Buckau, G.; Klenze, R.; Decambox, P.; Moulin, C.; Moulin, V.; Tits, J.; Marquardt, C.; Herrmann, G.; Trautmann, N.; Dierckx, A.; Vancluysen, J.; Maes, A.

    1992-09-01

    The aim of the present research programme is to study the complexation behaviour of actinide ions with humic substances in natural aquifer systems and hence to quantify the effect of humic substances on the actinide migration. Aquatic humic substances commonly found in all groundwaters in different concentrations have a strong tendency towards complexation with actinide ions. This is one of the major geochemical reactions but hitherto least quantified. Therefore, the effect of humic substances on the actinide migration is poorly understood. In the present research programme the complexation of actinide ions with humic substances will be described thermodynamically. This description will be based on a model being as simple as possible to allow an easy introduction of the resulting constants into geochemical modelling of the actinide migration. (orig.)

  12. The 'glass earth' - geochemical frontiers in exploration through cover

    International Nuclear Information System (INIS)

    Carr, G.; Denton, G.; Giblin, A.; Korsch, M.; Andrew, A.; Whitford, D.

    1999-01-01

    'Glass Earth' represents a number of current and planned projects within CSIRO aimed at making 'transparent' the top 1000 m of the Earth's crust It builds upon current technologies developed within a number of CSIRO divisions as well as the Australian Mineral Exploration Technologies CRC (AMET CRC), the Australian Geodynamics CRC (AG CRC) and the CRC for Landscape Evolution and Mineral Exploration (CRC LEME). New geophysical and geochemical technologies will be developed to complement these, together with new capabilities in modelling, data integration and visualisation, including hydrogeochemistry, hydrogeology, surface geochemistry and isotope geochemistry, modelling of chemical, fluid and heat flows in rock and regolith, advanced visualisation and data fusion. This paper describes some recent work in the field of isotope geochemistry, with the principal aim of 'seeing through' cover to understand basement geology and detect hidden ore systems

  13. Evaluating polymer degradation with complex mixtures using a simplified surface area method.

    Science.gov (United States)

    Steele, Kandace M; Pelham, Todd; Phalen, Robert N

    2017-09-01

    Chemical-resistant gloves, designed to protect workers from chemical hazards, are made from a variety of polymer materials such as plastic, rubber, and synthetic rubber. One material does not provide protection against all chemicals, thus proper polymer selection is critical. Standardized testing, such as chemical degradation tests, are used to aid in the selection process. The current methods of degradation ratings based on changes in weight or tensile properties can be expensive and data often do not exist for complex chemical mixtures. There are hundreds of thousands of chemical products on the market that do not have chemical resistance data for polymer selection. The method described in this study provides an inexpensive alternative to gravimetric analysis. This method uses surface area change to evaluate degradation of a polymer material. Degradation tests for 5 polymer types against 50 complex mixtures were conducted using both gravimetric and surface area methods. The percent change data were compared between the two methods. The resulting regression line was y = 0.48x + 0.019, in units of percent, and the Pearson correlation coefficient was r = 0.9537 (p ≤ 0.05), which indicated a strong correlation between percent weight change and percent surface area change. On average, the percent change for surface area was about half that of the weight change. Using this information, an equivalent rating system was developed for determining the chemical degradation of polymer gloves using surface area.

  14. Spectroscopic identification of binary and ternary surface complexes of Np(V) on gibbsite.

    Science.gov (United States)

    Gückel, Katharina; Rossberg, André; Müller, Katharina; Brendler, Vinzenz; Bernhard, Gert; Foerstendorf, Harald

    2013-12-17

    For the first time, detailed molecular information on the Np(V) sorption species on amorphous Al(OH)3 and crystalline gibbsite was obtained by in situ time-resolved Attenuated Total Reflection Fourier-Transform Infrared (ATR FT-IR) and Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. The results consistently demonstrate the formation of mononuclear inner sphere complexes of the NpO2(+) ion irrespective of the prevailing atmospheric condition. The impact of the presence of atmospheric equivalent added carbonate on the speciation in solution and on the surfaces becomes evident from vibrational data. While the 1:1 aqueous carbonato species (NpO2CO3(-)) was found to become predominant in the circumneutral pH range, it is most likely that this species is sorbed onto the gibbsite surface as a ternary inner sphere surface complex where the NpO2(+) moiety is directly coordinated to the functional groups of the gibbsite's surface. These findings are corroborated by results obtained from EXAFS spectroscopy providing further evidence for a bidentate coordination of the Np(V) ion on amorphous Al(OH)3. The identification of the Np(V) surface species on gibbsite constitutes a basic finding for a comprehensive description of the dissemination of neptunium in groundwater systems.

  15. Assessment Cu, Ni and Zn Pollution in the Surface Sediments in the Southern Peninsular Malaysia using Cluster Analysis, Ratios of Geochemical Nonresistant to Resistant Fractions, and Geochemical Indices

    Directory of Open Access Journals (Sweden)

    Yap. C. K.

    2011-01-01

    Full Text Available The intertidal sediment samples collected in May 2007 from 12 sampling sites in the southern part of Peninsular Malaysia, were determined for the total concentrations of Cu, Ni and Zn and their four geochemical fractions. The total concentrations (μg/g dry weight of Cu, Ni and Zn ranged from 9.48 to 115.82, 12.95 to 36.18 and 45.35 to 136.56, respectively. The ratios of nonresistant to resistant fractions based on geochemical analysis revealed that the Pantai Lido and Senibong had > 1.0, indicating > 50% of the total concentrations of Cu, Ni and Cu were contributed by anthropogenic sources. This is well complemented by the cluster analysis in which Pantai Lido and Senibong are clustered together based on the three metals clustering pattern. By using Fe as a normalizing element, Cu found at Pantai Lido and Senibong showed > 1.5 for the enrichment factor (EF, which indicated that the Cu was delivered from non-crustal materials or anthropogenic origins while all sampling sites showed Ni and Zn may be entirely from crustal materials. Based on the geoaccumulation index (Igeo (Müller, 1981, similar pattern was also found for Pantai Lido and Senibong in which again only Cu concentrations ranged from 1-2, indicating 'moderate pollution' (Igeo 1 < 2; Class 2.while other sites can be considered as 'unpolluted' (Igeo < 0; Class 0 by Cu, Ni and Zn. Ratios of NR/R exhibited better in the assessment of polluted sites while EF and Igeo should be revised according to Malaysian sedimentary characteristics. This study should prompt more biochemical and molecular studies on the intertidal molluscs from the Straits of Johore since the identified two sites are located in the Straits of Johore, especially the commercial mussel, Perna viridis.

  16. Sorption by cation exchange

    International Nuclear Information System (INIS)

    Bradbury, M.H.; Baeyens, B.

    1994-04-01

    A procedure for introducing exchange into geochemical/surface complexation codes is described. Beginning with selectivity coefficients, K c , defined in terms of equivalent fractional ion occupancies, a general expression for the molar based exchange code input parameters, K ex , is derived. In natural systems the uptake of nuclides onto complex sorbents often occurs by more than one mechanism. The incorporation of cation exchange and surface complexation into a geochemical code therefore enables sorption by both mechanisms to be calculated simultaneously. The code and model concepts are tested against sets of experimental data from widely different sorption studies. A proposal is made to set up a data base of selectivity coefficients. Such a data base would form part of a more general one consisting of sorption mechanism specific parameters to be used in conjunction with geochemical/sorption codes to model and predict sorption. (author) 6 figs., 6 tabs., 26 refs

  17. Reactive solute transport in streams: A surface complexation approach for trace metal sorption

    Science.gov (United States)

    Runkel, Robert L.; Kimball, Briant A.; McKnight, Diane M.; Bencala, Kenneth E.

    1999-01-01

    A model for trace metals that considers in-stream transport, metal oxide precipitation-dissolution, and pH-dependent sorption is presented. Linkage between a surface complexation submodel and the stream transport equations provides a framework for modeling sorption onto static and/or dynamic surfaces. A static surface (e.g., an iron- oxide-coated streambed) is defined as a surface with a temporally constant solid concentration. Limited contact between solutes in the water column and the static surface is considered using a pseudokinetic approach. A dynamic surface (e.g., freshly precipitated metal oxides) has a temporally variable solid concentration and is in equilibrium with the water column. Transport and deposition of solute mass sorbed to the dynamic surface is represented in the stream transport equations that include precipitate settling. The model is applied to a pH-modification experiment in an acid mine drainage stream. Dissolved copper concentrations were depressed for a 3 hour period in response to the experimentally elevated pH. After passage of the pH front, copper was desorbed, and dissolved concentrations returned to ambient levels. Copper sorption is modeled by considering sorption to aged hydrous ferric oxide (HFO) on the streambed (static surface) and freshly precipitated HFO in the water column (dynamic surface). Comparison of parameter estimates with reported values suggests that naturally formed iron oxides may be more effective in removing trace metals than synthetic oxides used in laboratory studies. The model's ability to simulate pH, metal oxide precipitation-dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between trace metal chemistry and hydrologic transport at the field scale.

  18. Geochemical orientation for mineral exploration in the Hashemite Kingdom of Jordan

    Science.gov (United States)

    Overstreet, W.C.; Grimes, D.J.; Seitz, J.F.

    1982-01-01

    This report is a supplement to previous accounts of geochemical exploration conducted in the Hashemite Kingdom of Jordan by the Natural Resources Authority of the Royal Government of Jordan and the U.S. Geological Survey. The field work on which this report is based was sponsored by the U.S. Agency for International Development, U.S. Department of State. Procedures used in collecting various kinds of rocks, ores, slags, eluvial and alluvial sediments, heavy-mineral concentrates, and organic materials for use as geochemical sample media are summarized, as are the laboratory procedures followed for the analysis of these sample materials by semiquantitative spectrographic, atomic absorption, fluorometric, and X-ray diffraction methods. Geochemical evaluations of the possibilities for economic mineral deposits in certain areas are presented. The results of these preliminary investigations open concepts for further use in geochemical exploration in the search for metallic mineral deposits in Jordan. Perhaps the most desirable new activity would be hydrogeochemical exploration for uranium and base metals, accompanied by interpretation of such remote-sensing data as results of airborne radiometric surveys and computer-enhanced LANDSAT imagery. For more conventional approaches to geochemical exploration, however, several fundamental problems regarding proper choice of geochemical sample media for different geologic and geographic parts of the Country must be solved before effective surveys can be made. The present results also show that such common geochemical exploration techniques as the determination of the trace-element contents of soils, plant ash, and slags have direct application also toward the resolution of several archaeological problems in Jordan. These include the relation of trace-elements chemistry of local soils to the composition of botanic remains, the trace-elements composition of slags to the technological development of the extractive metallurgy of

  19. Energetic Surface Smoothing of Complex Metal-Oxide Thin Films

    International Nuclear Information System (INIS)

    Willmott, P.R.; Herger, R.; Schlepuetz, C.M.; Martoccia, D.; Patterson, B.D.

    2006-01-01

    A novel energetic smoothing mechanism in the growth of complex metal-oxide thin films is reported from in situ kinetic studies of pulsed laser deposition of La 1-x Sr x MnO 3 on SrTiO 3 , using x-ray reflectivity. Below 50% monolayer coverage, prompt insertion of energetic impinging species into small-diameter islands causes them to break up to form daughter islands. This smoothing mechanism therefore inhibits the formation of large-diameter 2D islands and the seeding of 3D growth. Above 50% coverage, islands begin to coalesce and their breakup is thereby suppressed. The energy of the incident flux is instead rechanneled into enhanced surface diffusion, which leads to an increase in the effective surface temperature of ΔT≅500 K. These results have important implications on optimal conditions for nanoscale device fabrication using these materials

  20. Semi-detailed uranium geochemical survey in Northwestern Samar (27 March 1979 - 4 July 1979)

    International Nuclear Information System (INIS)

    Santos, G. Jr.; Ogena, M.; Tauli, G.

    1980-04-01

    A uranium geochemical survey was conducted to delineate in detail the uranium prospective area(s) in northwestern Samar. A total of 805 stream sediments and 1.115 water samples were obtained from the target areas from uranium analysis. Geochemical anomalies were indicated in San Isidro and Mauo. Geochemical correlations between uranium and trace elements (Pb, Ag, Ni, Cu, Co, Zn and Mn) were generally poor. (ELC)

  1. Geochemical Data Package for Performance Assessment Calculations Related to the Savannah River Site

    Energy Technology Data Exchange (ETDEWEB)

    Kaplan, Daniel I. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2016-07-22

    The Savannah River Site (SRS) disposes of low-level radioactive waste (LLW) and stabilizes high-level radioactive waste (HLW) tanks in the subsurface environment. Calculations used to establish the radiological limits of these facilities are referred to as Performance Assessments (PA), Special Analyses (SA), and Composite Analyses (CA). The objective of this document is to revise existing geochemical input values used for these calculations. This work builds on earlier compilations of geochemical data (2007, 2010), referred to a geochemical data packages. This work is being conducted as part of the on-going maintenance program of the SRS PA programs that periodically updates calculations and data packages when new information becomes available. Because application of values without full understanding of their original purpose may lead to misuse, this document also provides the geochemical conceptual model, the approach used for selecting the values, the justification for selecting data, and the assumptions made to assure that the conceptual and numerical geochemical models are reasonably conservative (i.e., bias the recommended input values to reflect conditions that will tend to predict the maximum risk to the hypothetical recipient). This document provides 1088 input parameters for geochemical parameters describing transport processes for 64 elements (>740 radioisotopes) potentially occurring within eight subsurface disposal or tank closure areas: Slit Trenches (ST), Engineered Trenches (ET), Low Activity Waste Vault (LAWV), Intermediate Level (ILV) Vaults, Naval Reactor Component Disposal Areas (NRCDA), Components-in-Grout (CIG) Trenches, Saltstone Facility, and Closed Liquid Waste Tanks. The geochemical parameters described here are the distribution coefficient, Kd value, apparent solubility concentration, ks value, and the cementitious leachate impact factor.

  2. Geochemical fingerprints and pebbles zircon geochronology

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Earth System Science; Volume 125; Issue 7. Geochemical fingerprints and pebbles zircon geochronology: Implications for the provenance and tectonic setting of Lower Cretaceous sediments in the Zhucheng Basin (Jiaodong peninsula, North China). Jin-Long Ni Jun-Lai Liu Xiao-Ling Tang ...

  3. Geochemical, hydrological, and biological cycling of energy residual. Research plan

    International Nuclear Information System (INIS)

    Wobber, F.J.

    1983-03-01

    Proposed research goals and specific research areas designed to provide a base of fundamental scientific information so that the geochemical, hydrological, and biophysical mechanisms that contribute to the transport and long term fate of energy residuals in natural systems can be understood are described. Energy development and production have resulted in a need for advanced scientific information on the geochemical transformations, transport rates, and potential for bioaccumulation of contaminants in subsurface environments

  4. Energy transfer between surface-immobilized light-harvesting chlorophyll a/b complex (LHCII) studied by surface plasmon field-enhanced fluorescence spectroscopy (SPFS).

    Science.gov (United States)

    Lauterbach, Rolf; Liu, Jing; Knoll, Wolfgang; Paulsen, Harald

    2010-11-16

    The major light-harvesting chlorophyll a/b complex (LHCII) of the photosynthetic apparatus in green plants can be viewed as a protein scaffold binding and positioning a large number of pigment molecules that combines rapid and efficient excitation energy transfer with effective protection of its pigments from photobleaching. These properties make LHCII potentially interesting as a light harvester (or a model thereof) in photoelectronic applications. Most of such applications would require the LHCII to be immobilized on a solid surface. In a previous study we showed the immobilization of recombinant LHCII on functionalized gold surfaces via a 6-histidine tag (His tag) in the protein moiety. In this work the occurrence and efficiency of Förster energy transfer between immobilized LHCII on a functionalized surface have been analyzed by surface plasmon field-enhanced fluorescence spectroscopy (SPFS). A near-infrared dye was attached to some but not all of the LHC complexes, serving as an energy acceptor to chlorophylls. Analysis of the energy transfer from chlorophylls to this acceptor dye yielded information about the extent of intercomplex energy transfer between immobilized LHCII.

  5. Combined geochemical and electrochemical methodology to quantify corrosion of carbon steel by bacterial activity

    International Nuclear Information System (INIS)

    Schutz, Marta K.; Moreira, Rebeca; Tribollet, Bernard; Vivier, Vincent; Bildstein, Olivier; Lartigue, Jean-Eric; Libert, Marie; Schlegel, Michel L.

    2014-01-01

    The availability of respiratory substrates, such as H 2 and Fe(II,III) solid corrosion products within nuclear waste repository, will sustain the activities of hydrogen-oxidizing bacteria (HOB) and iron-reducing bacteria (IRB). This may have a direct effect on the rate of carbon steel corrosion. This study investigates the effects of Shewanella oneidensis (an HOB and IRB model organism) on the corrosion rate by looking at carbon steel dissolution in the presence of H 2 as the sole electron donor. Bacterial effect is evaluated by means of geochemical and electrochemical techniques. Both showed that the corrosion rate is enhanced by a factor of 2-3 in the presence of bacteria. The geochemical experiments indicated that the composition and crystallinity of the solid corrosion products (magnetite and vivianite) are modified by bacteria. Moreover, the electrochemical experiments evidenced that the bacterial activity can be stimulated when H 2 is generated in a small confinement volume. In this case, a higher corrosion rate and mineralization (vivianite) on the carbon steel surface were observed. The results suggest that the mechanism likely to influence the corrosion rate is the bioreduction of Fe(III) from magnetite coupled to the H 2 oxidation. (authors)

  6. Cordilleran metamorphic core complexes and their uranium favorability

    International Nuclear Information System (INIS)

    Coney, P.J.; Reynolds, S.J.

    1980-11-01

    The objective of this report is to provide a descriptive body of knowledge on Cordilleran metamorphic core complexes including their lithologic and structural characteristics, their distribution within the Cordillera, and their evolutionary history and tectonic setting. The occurrence of uranium in the context of possibility for uranium concentration is also examined. This volume contains appendices of the following: annotated bibliography of Cordilleran metamorphic core complexes; annotated bibliography of the uranium favorability of Cordilleran metamorphic core complexes; uranium occurrences in the Cordilleran metamorphic core complex belt; and geology, uranium favorability, uranium occurrences and tectonic maps of individual Cordilleran metamorphic core complexes; and locations, lithologic descriptions, petrographic information and analytical data for geochemical samples

  7. Geochemical prospecting for copper and nickel in the Wulgai and Tor Tangi areas southeast of Hindubagh, Quetta Division, Pakistan

    Science.gov (United States)

    Stanin, S. Anthony; Wahid, M.A.; Khan, Shamsher

    1975-01-01

    Showings of magnetite, copper, and possible nickel mineralization in the Hindubagh chromite mining district are near Wulgai and Tor Tangi. Several hundred samples of clastic material from dry streambeds in these areas were sieved for the minus-80-mesh fraction and analyzed for copper using 2, 2'-biquinoline and for nickel using alpha-furildioxime. The copper threshold is 75 ppm, and the nickel threshold is 400 ppm. A geochemical map has been prepared that shows nine areas of anomalously high copper and six areas of high nickel. The nickel anomalies may represent secondary dispersion patterns derived from the erosion of nickeliferous ultramafic rocks of the Hindubagh intrusive complex. Copper showings in and near four of the anomalous copper areas indicate that detailed geological investigation and detailed geochemical sampling of rocks, soil, and unconsolidated clastic material are required to determine the source of the anomalies.

  8. Adaptive Multiscale Modeling of Geochemical Impacts on Fracture Evolution

    Science.gov (United States)

    Molins, S.; Trebotich, D.; Steefel, C. I.; Deng, H.

    2016-12-01

    Understanding fracture evolution is essential for many subsurface energy applications, including subsurface storage, shale gas production, fracking, CO2 sequestration, and geothermal energy extraction. Geochemical processes in particular play a significant role in the evolution of fractures through dissolution-driven widening, fines migration, and/or fracture sealing due to precipitation. One obstacle to understanding and exploiting geochemical fracture evolution is that it is a multiscale process. However, current geochemical modeling of fractures cannot capture this multi-scale nature of geochemical and mechanical impacts on fracture evolution, and is limited to either a continuum or pore-scale representation. Conventional continuum-scale models treat fractures as preferential flow paths, with their permeability evolving as a function (often, a cubic law) of the fracture aperture. This approach has the limitation that it oversimplifies flow within the fracture in its omission of pore scale effects while also assuming well-mixed conditions. More recently, pore-scale models along with advanced characterization techniques have allowed for accurate simulations of flow and reactive transport within the pore space (Molins et al., 2014, 2015). However, these models, even with high performance computing, are currently limited in their ability to treat tractable domain sizes (Steefel et al., 2013). Thus, there is a critical need to develop an adaptive modeling capability that can account for separate properties and processes, emergent and otherwise, in the fracture and the rock matrix at different spatial scales. Here we present an adaptive modeling capability that treats geochemical impacts on fracture evolution within a single multiscale framework. Model development makes use of the high performance simulation capability, Chombo-Crunch, leveraged by high resolution characterization and experiments. The modeling framework is based on the adaptive capability in Chombo

  9. Engineering the cell surface display of cohesins for assembly of cellulosome-inspired enzyme complexes on Lactococcus lactis

    Directory of Open Access Journals (Sweden)

    Wieczorek Andrew S

    2010-09-01

    Full Text Available Abstract Background The assembly and spatial organization of enzymes in naturally occurring multi-protein complexes is of paramount importance for the efficient degradation of complex polymers and biosynthesis of valuable products. The degradation of cellulose into fermentable sugars by Clostridium thermocellum is achieved by means of a multi-protein "cellulosome" complex. Assembled via dockerin-cohesin interactions, the cellulosome is associated with the cell surface during cellulose hydrolysis, forming ternary cellulose-enzyme-microbe complexes for enhanced activity and synergy. The assembly of recombinant cell surface displayed cellulosome-inspired complexes in surrogate microbes is highly desirable. The model organism Lactococcus lactis is of particular interest as it has been metabolically engineered to produce a variety of commodity chemicals including lactic acid and bioactive compounds, and can efficiently secrete an array of recombinant proteins and enzymes of varying sizes. Results Fragments of the scaffoldin protein CipA were functionally displayed on the cell surface of Lactococcus lactis. Scaffolds were engineered to contain a single cohesin module, two cohesin modules, one cohesin and a cellulose-binding module, or only a cellulose-binding module. Cell toxicity from over-expression of the proteins was circumvented by use of the nisA inducible promoter, and incorporation of the C-terminal anchor motif of the streptococcal M6 protein resulted in the successful surface-display of the scaffolds. The facilitated detection of successfully secreted scaffolds was achieved by fusion with the export-specific reporter staphylococcal nuclease (NucA. Scaffolds retained their ability to associate in vivo with an engineered hybrid reporter enzyme, E. coli β-glucuronidase fused to the type 1 dockerin motif of the cellulosomal enzyme CelS. Surface-anchored complexes exhibited dual enzyme activities (nuclease and β-glucuronidase, and were

  10. Geochemical mapping of the Hyeonri, Bongpyeong, Yeongog and Doam sheets (1:50,000)

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jin Soo; Seo, Hyo Joon [Korea Institute of Geology Mining and Materials, Taejon (Korea, Republic of)

    1997-12-01

    A geochemical mapping was made on the four quadrangles of the Hyeonri, Bongpyeong, Yeongog and Doam Sheets (1:50,000) located in the northeastern part of South Korea. The area of about 2,500 Km{sup 2} is covered mostly the Precambrian metamorphic rocks and Jurassic granites, and partly by Permo-Triassic sedimentary and Cretaceous granites. Geochemical samples of stream sediment and natural surface water, totally 713 for each media, were systematically collected from in the primary and secondary order streams. The samples were chemically analysed for the trace elements by ICP, and anion elements of water samples were determined by IC. The pH. EC (electrical conductivity) Eh, DO (dissolved oxygen) and bicarbonate were measured in situ by digital portable equipment. Several deposits of gold, fluorite, molybdenite and iron deposits were weakly formed at or around the contact zone between metamorphic rocks and granites. The coal mines were actively operated until 1970`s in the southeastern part of the area. At present, none of them is operating owing to shortage of ore reserves and higher mining cost excepting a few non-metallic or construction stone mines. Geochemical anomalies were revealed out several areas deriving from mineralized factors or effected by some polluted evidences of human life. The anomalies of Pb, Zn, Co, Cr, Cd, etc for sulfide minerals were poorly confined around old prospects or calcareous formation of Chosun Supergroup. The conductivity of stream in the Odae national park is extremely high value to be expecting mineral deposit such as uranium or rare earth metals etc.. The anomalies with Cl, Na, Mg, NO{sub 3}, HCO{sub 3} near or along the expressway and main roads where the population, are densely, were identified to be polluted by human activities and stock-farming. (author). 36 refs., 11 tabs., 57 figs.

  11. Geophysical and geochemical models of the Earth's shields and rift zones

    International Nuclear Information System (INIS)

    Chung, D.H.

    1977-01-01

    This report summarizes a collection of, synthesis of, and speculation on the geophysical and geochemical models of the earth's stable shields and rift zones. Two basic crustal types, continental and oceanic, and two basic mantle types, stable and unstable, are described. It is pointed out that both the crust and upper mantle play a strongly interactive role with surface geological phenomena ranging from the occurrence of mountains, ocean trenches, oceanic and continental rifts to geographic distributions of earthquakes, faults, and volcanoes. On the composition of the mantle, there is little doubt regarding the view that olivine constitutes a major fraction of the mineralogy of the earth's upper mantle. Studies are suggested to simulate the elasticity and composition of the earth's lower crust and upper mantle

  12. Acceptance of the 2014 Geochemical Society Distinguished Service Award by Carla Koretsky

    Science.gov (United States)

    Koretsky, Carla

    2015-06-01

    I am deeply touched to have received the Geochemical Society Distinguished Service Award. It was a great surprise when I received the notice that I had been chosen for the award. It has been a tremendous pleasure to work on behalf of student members of the Geochemical Society, Japanese Geochemical Society and the European Association of Geochemists to organize the student travel grants over the past few years. Certainly, this is not an effort that I undertook on my own. Many, many members of the GS, the JGS and the EAG generously donated their time and expertise to serve as reviewers for the many travel grant applicants we receive each year. Seth Davis, the GS Chief Operating Officer, spent countless hours helping to organize applications, the website, distribution of funds and many other aspects of the competition. Without Seth and the many expert reviewers, we could not run the travel grant program each year and provide this important financial support to allow more students to experience the Goldschmidt Conference. I also enjoyed my time as Geochemical News co-editor, and I should point out that GN during those years was ably co-edited by Johnson Haas. It has been a pleasure to see Elements take off, and GN evolve into a timely source of important announcements and information about cutting-edge science since I stepped down as co-editor. I feel very fortunate to work with so many outstanding colleagues in the global geochemical community, and I am a little embarrassed, and also very grateful, to have been selected for the Geochemical Society Distinguished Service Award. Thank you!

  13. Evaluation of geochemical mobility of heavy metals in the dump mine rocks Western Donbass

    Directory of Open Access Journals (Sweden)

    Yatsechko N.Y.

    2014-12-01

    Full Text Available Typification of turn mine rocks of Western Donbas is conducted after a size acid-lye the index of water-soluble complex. It is set that exactly rocks with the low value of it an index characterized the most sizes of middle content of water-soluble forms of heavy metals. It is well-proven that exactly mine dumps are the generating source of contamination of objects of environment of this region by heavy metals. The significant impact on the environment inflicted not only directly in the process of coal mining, but for many years after its completion. The source of contamination of environmental objects are dumps that occupy large areas of fertile land. Every year in the dumps is stored about 40 million. m3 moldboard mine rock. Most of the waste coal industry have potential toxic and mutagenic properties as containing a significant amount of heavy metals, which are practically not biodegradable in the environment and is therefore especially dangerous for living organisms paramount importance score geochemical mobility of heavy metals, ie their property to move from solid to liquid phase, migrate to the natural landscape and absorbed by vegetation. This applies particularly to water-soluble forms of metals, as in warehousing surface mine dump piles of rocks, the priority factor that regulates the processes of migration of heavy metals are leaching precipitation of solid phase wastes. It is the existence and content of heavy metals in water-soluble complex characterized by their solubility and migration activity and can be used to assess the real extent of possible contamination of the hydrosphere.

  14. Statistical treatment of geochemical data and its application in the geologic mapping and in the definition of the geochemical anomalies in the Alvo 2-Corpo 4 -Provincia Mineral de Carajas

    International Nuclear Information System (INIS)

    Moura, C.A.V.

    1982-01-01

    It was given a statistical treatment for the geochemical data about soil in the are named Alvo2 - Corpo4- in the Provincia Mineral de Carajas, Para, Brazil, for application of the geological mapping and definition of geochemical anomalies. (A.B.) [pt

  15. Chlorine isotopes potential as geo-chemical tracers

    Digital Repository Service at National Institute of Oceanography (India)

    Shirodkar, P.V.; Pradhan, U.K.; Banerjee, R.

    The potential of chlorine isotopes as tracers of geo-chemical processes of earth and the oceans is highlighted based on systematic studies carried out in understanding the chlorine isotope fractionation mechanism, its constancy in seawater and its...

  16. Identification of Uranyl Surface Complexes an Ferrihydrite: Advanced EXAFS Data Analysis and CD-MUSIC Modeling

    NARCIS (Netherlands)

    Rossberg, A.; Ulrich, K.U.; Weiss, S.; Tsushima, S.; Hiemstra, T.; Scheinost, A.C.

    2009-01-01

    Previous spectroscopic research suggested that uranium(VI) adsorption to iron oxides is dominated by ternary uranyl-carbonato surface complexes across an unexpectedly wide pH range. Formation of such complexes would have a significant impact on the sorption behavior and mobility of uranium in

  17. Developing protocols for geochemical baseline studies: An example from the Coles Hill uranium deposit, Virginia, USA

    International Nuclear Information System (INIS)

    Levitan, Denise M.; Schreiber, Madeline E.; Seal, Robert R.; Bodnar, Robert J.; Aylor, Joseph G.

    2014-01-01

    Highlights: • We outline protocols for baseline geochemical surveys of stream sediments and water. • Regression on order statistics was used to handle non-detect data. • U concentrations in stream water near this unmined ore were below regulatory standards. • Concentrations of major and trace elements were correlated with stream discharge. • Methods can be applied to other extraction activities, including hydraulic fracturing. - Abstract: In this study, we determined baseline geochemical conditions in stream sediments and surface waters surrounding an undeveloped uranium deposit. Emphasis was placed on study design, including site selection to encompass geological variability and temporal sampling to encompass hydrological and climatic variability, in addition to statistical methods for baseline data analysis. The concentrations of most elements in stream sediments were above analytical detection limits, making them amenable to standard statistical analysis. In contrast, some trace elements in surface water had concentrations that were below the respective detection limits, making statistical analysis more challenging. We describe and compare statistical methods appropriate for concentrations that are below detection limits (non-detect data) and conclude that regression on order statistics provided the most rigorous analysis of our results, particularly for trace elements. Elevated concentrations of U and deposit-associated elements (e.g. Ba, Pb, and V) were observed in stream sediments and surface waters downstream of the deposit, but concentrations were below regulatory guidelines for the protection of aquatic ecosystems and for drinking water. Analysis of temporal trends indicated that concentrations of major and trace elements were most strongly related to stream discharge. These findings highlight the need for sampling protocols that will identify and evaluate the temporal and spatial variations in a thorough baseline study

  18. NEW GEOCHEMICAL DATA OF BASALTS IN THE TSOROIDOG AREA, CENTRAL MONGOLIA

    Directory of Open Access Journals (Sweden)

    T. Oyunchimeg

    2017-01-01

    Full Text Available At present, geochemical data are widely used for reconstructing geodynamic settings, especially, volcanic rocks of mafic composition, i.e., basalts, because they are widespread in many orogenic belts and are indicative of different geodynamic environments. In general, we propose the reconstruction of the tectonic settings of basalts according to their relationships with associated ocean plate stratigraphy (OPS sediments, their petrogenesis and their geochemical features.

  19. Application of radio-geochemical exploration to investigation on geo-ecological environment

    International Nuclear Information System (INIS)

    Ye Qingsen

    2000-01-01

    Taking investigation on radon hazards and natural radioactivity as examples, the author expounds the prospects of the application of radio-geochemical exploration to the investigation on geo-ecological environment. It is especially emphasized that the methods of radio-geochemical exploration can not be only widely applied in the field of traditional radio-geological prospecting but also play an important role in the investigation on geo-ecological environment

  20. Stand-off laser-induced breakdown spectroscopy of aluminum and geochemical reference materials at pressure below 1 torr

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kang-Jae; Choi, Soo-Jin; Yoh, Jack J., E-mail: jjyoh@snu.ac.kr

    2014-11-01

    Laser-induced breakdown spectroscopy (LIBS) is an atomic emission spectroscopy that utilizes a highly irradiated pulse laser focused on the target surface to produce plasma. We obtain spectroscopic information from the microplasma and determine the chemical composition of the sample based on its elemental and molecular emission peaks. We develop a stand-off LIBS system to analyze the effect of the remote sensing of aluminum and various geochemical reference materials at pressures below 1 torr. Using a commercial 4 inch refracting telescope, our stand-off LIBS system is configured at a distance of 7.2 m from the four United States Geological Survey (USGS) geochemical samples that include granodiorite, quartz latite, shale-cody, and diabase, which are selected for planetary exploration. Prepared samples were mixed with a paraffin binder containing only hydrogen and carbon, and were pelletized for experimental convenience. The aluminum plate sample is considered as a reference prior to using the geochemical samples in order to understand the influence of a low pressure condition on the resulting LIBS signal. A Q-switched Nd:YAG laser operating at 1064 nm and pulsed at 10 Hz with 21.7 to 48.5 mJ/pulse was used to obtain signals, which showed that the geochemical samples were successfully detected by the present stand-off detection scheme. A low pressure condition generally results in a decrease of the signal intensity, while the signal to noise ratio can vary according to the samples and elements of various types. We successfully identified the signals at below 1 torr with stand-off detection by a tightly focused light detection and by using a relatively larger aperture telescope. The stand-off LIBS detection at low pressure is promising for potential detection of the minor elements at pressures below 1 torr. - Highlights: • Stand-off LIBS signals at below 1 torr are compared to those of in-situ conditions. • Vacuum condition provides easier detection of the

  1. Geochemical Parameters Required from the SKB Site Characterisation Programme

    International Nuclear Information System (INIS)

    Bath, Adrian

    2002-01-01

    SKB has described its approach to site characterisation in a number of Technical Reports. One of the scientific topics in which specific information requirements and priorities are set out is geochemistry. This report for SKI examines critically whether the geochemical parameters identified in the SKB programme documents will be adequate for safety and regulatory requirements. It also examines some of the details of parameter requirements and interpretation tools that will be necessary to convert site investigation data into knowledge about chemical conditions and groundwater movements. The SKB strategy for geochemical data focuses on a small number of 'suitability indicators', primarily dissolved oxygen, pH and salinity. Their parameter requirements aim to assess those primary characteristics, as well as to acquire a wider range of data that will support those assessments and provide a broader understanding of candidate areas. An initial observation in this review that, though it is a primary suitability indicator, dissolved oxygen apparently will not be measured and instead will be inferred from other redox indicators. This raises a number of issues about sampling and monitoring measures, analytical data reliability and sensitivity, and the degree of confidence in geochemical understanding. A geochemical programme involves reconnaissance by desk study and acquisition of new data at levels of details that are appropriate to the stage of site investigations. As early as possible, a conceptual model of a candidate area should help to define the objectives of geochemical measurements on both rock and groundwater samples. It is recommended that parameters requirements should be defined and considered not only in terms of isolated measurements but more in terms of addressing broader objectives that relate to safety and also to geoscientific understanding. The safety priorities remain (e.g. dissolved oxygen) but will then be supported by an understanding of processes

  2. Geochemical Parameters Required from the SKB Site Characterisation Programme

    Energy Technology Data Exchange (ETDEWEB)

    Bath, Adrian [Intellisci Ltd., Loughborough (United Kingdom)

    2002-01-01

    SKB has described its approach to site characterisation in a number of Technical Reports. One of the scientific topics in which specific information requirements and priorities are set out is geochemistry. This report for SKI examines critically whether the geochemical parameters identified in the SKB programme documents will be adequate for safety and regulatory requirements. It also examines some of the details of parameter requirements and interpretation tools that will be necessary to convert site investigation data into knowledge about chemical conditions and groundwater movements. The SKB strategy for geochemical data focuses on a small number of 'suitability indicators', primarily dissolved oxygen, pH and salinity. Their parameter requirements aim to assess those primary characteristics, as well as to acquire a wider range of data that will support those assessments and provide a broader understanding of candidate areas. An initial observation in this review that, though it is a primary suitability indicator, dissolved oxygen apparently will not be measured and instead will be inferred from other redox indicators. This raises a number of issues about sampling and monitoring measures, analytical data reliability and sensitivity, and the degree of confidence in geochemical understanding. A geochemical programme involves reconnaissance by desk study and acquisition of new data at levels of details that are appropriate to the stage of site investigations. As early as possible, a conceptual model of a candidate area should help to define the objectives of geochemical measurements on both rock and groundwater samples. It is recommended that parameters requirements should be defined and considered not only in terms of isolated measurements but more in terms of addressing broader objectives that relate to safety and also to geoscientific understanding. The safety priorities remain (e.g. dissolved oxygen) but will then be supported by an understanding of

  3. Ionizing radiation and radionuclides in the environment: sources, origin, geochemical processes and health risks

    International Nuclear Information System (INIS)

    Dangic, A.

    1995-01-01

    Ionizing radiation related to the radioactivity and radionuclides appears to be ones of most dangerous environmental risks to the human health. The paper considers appearance and importance of radionuclides, both natural (cosmogenic and Earth's) and anthropogenic, mode of their entering into and movement through the environment. Most risk to the population are radionuclides related to the geological-geochemical systems - in Serbia, high concentrations of radionuclides related to these sources were indicated at a number of localities. Movement of radionuclides through the environment is regulated by the geochemical processes i.e. the geochemical cycles of the elements. For the discovering of radionuclides in the nature, the assessment of the health risks to the population and the related protection are necessary multilayer geochemical studies. (author)

  4. Geochemical and hydrodynamic controls on arsenic and trace metal cycling in a seasonally stratified US sub-tropical reservoir

    International Nuclear Information System (INIS)

    Brandenberger, J.; Louchouarn, P.; Herbert, B.; Tissot, P.

    2004-01-01

    The phase distribution of trace metals and oxyanions, including U and As, in 2 surface water bodies was investigated within a South Texas watershed hosting a high density of surface U mine pits and tailings. The objectives of the study were to evaluate the environmental legacy of U mining, with particular emphasis on the spatial and temporal variability of water quality in Lake Corpus Christi, a downstream reservoir that serves as the major water resource to a population of ∼350,000 people in the region. Lyssy Pond, a livestock pond bordered by U mine tailings, was used as a model case-study site to evaluate the cycling of U mine-derived oxyanions under changing redox conditions. Although the pond showed seasonal thermal and chemical stratification, geochemical cycling of metals was limited to Co and Pb, which was correlated with redox cycling of Mn mineral phases, and U, which suggested reductive precipitation in the pond's hypolimnion. Uranium levels, however, were too low to support strong inputs from the tailings into the water column of the pond. The strong relationships observed between particulate Cr, Cs, V, and Fe suggest that these metals are associated with a stable particulate phase (probably allochthonous alumino-silicates) enriched in unreactive Fe. This observation is supported by a parallel relationship in sediments collected across a broad range of sediment depositional processes (and histories) in the basin. Arsenic, though selectively enriched in the pond's water column, was dominated by dissolved species throughout the depth of the profile and showed no sign of geochemical cycling or interaction with Fe-rich particles. Arsenic (and other oxyanions) in the water columns of Lake Corpus Christi and Lyssy pond were not affected by the abundant presence of Fe-rich particles but instead behaved conservatively. No evidence was found of anthropogenic impacts of U mines beyond the purely local scale. Arsenic's presence within the Nueces drainage basin

  5. Composition and microstructure alteration of triticale grain surface after processing by enzymes of cellulase complex

    Directory of Open Access Journals (Sweden)

    Elena Kuznetsova

    2016-01-01

    Full Text Available It is found that the pericarp tissue of grain have considerable strength and stiffness, that has an adverse effect on quality of whole-grain bread. Thereby, there exists the need for preliminary chemical and biochemical processing of durable cell walls before industrial use. Increasingly used in the production of bread finds an artificial hybrid of the traditional grain crops of wheat and rye - triticale, grain which has high nutritional value. The purpose of this research was to evaluate the influence of cellulose complex (Penicillium canescens enzymes on composition and microstructure alteration of triticale grain surface, for grain used in baking. Triticale grain was processed by cellulolytic enzyme preparations with different composition (producer is Penicillium canescens. During experiment it is found that triticale grain processing by enzymes of cellulase complex leads to an increase in the content of water-soluble pentosans by 36.3 - 39.2%. The total amount of low molecular sugars increased by 3.8 - 10.5 %. Studies show that under the influence of enzymes the microstructure of the triticale grain surface is changing. Microphotographs characterizing grain surface structure alteration in dynamic (every 2 hours during 10 hours of substrate hydrolysis are shown. It is found that the depth and direction of destruction process for non-starch polysaccharides of grain integument are determined by the composition of the enzyme complex preparation and duration of exposure. It is found, that xylanase involved in the modification of hemicelluloses fiber having both longitudinal and radial orientation. Hydrolysis of non-starch polysaccharides from grain shells led to increase of antioxidant activity. Ferulic acid was identified in alcoholic extract of triticale grain after enzymatic hydrolysis under the influence of complex preparation containing cellulase, xylanase and β-glucanase. Grain processing by independent enzymes containing in complex

  6. Chromate Adsorption on Selected Soil Minerals: Surface Complexation Modeling Coupled with Spectroscopic Investigation.

    Czech Academy of Sciences Publication Activity Database

    Veselská, V.; Fajgar, Radek; Číhalová, S.; Bolanz, R.M.; Göttlicher, J.; Steininger, R.; Siddique, J.A.; Komárek, M.

    2016-01-01

    Roč. 318, NOV 15 (2016), s. 433-442 ISSN 0304-3894 Institutional support: RVO:67985858 Keywords : surface complexation modeling * chromate * soil minerals Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 6.065, year: 2016

  7. Surface complexation modeling of Cu(II adsorption on mixtures of hydrous ferric oxide and kaolinite

    Directory of Open Access Journals (Sweden)

    Schaller Melinda S

    2008-09-01

    Full Text Available Abstract Background The application of surface complexation models (SCMs to natural sediments and soils is hindered by a lack of consistent models and data for large suites of metals and minerals of interest. Furthermore, the surface complexation approach has mostly been developed and tested for single solid systems. Few studies have extended the SCM approach to systems containing multiple solids. Results Cu adsorption was measured on pure hydrous ferric oxide (HFO, pure kaolinite (from two sources and in systems containing mixtures of HFO and kaolinite over a wide range of pH, ionic strength, sorbate/sorbent ratios and, for the mixed solid systems, using a range of kaolinite/HFO ratios. Cu adsorption data measured for the HFO and kaolinite systems was used to derive diffuse layer surface complexation models (DLMs describing Cu adsorption. Cu adsorption on HFO is reasonably well described using a 1-site or 2-site DLM. Adsorption of Cu on kaolinite could be described using a simple 1-site DLM with formation of a monodentate Cu complex on a variable charge surface site. However, for consistency with models derived for weaker sorbing cations, a 2-site DLM with a variable charge and a permanent charge site was also developed. Conclusion Component additivity predictions of speciation in mixed mineral systems based on DLM parameters derived for the pure mineral systems were in good agreement with measured data. Discrepancies between the model predictions and measured data were similar to those observed for the calibrated pure mineral systems. The results suggest that quantifying specific interactions between HFO and kaolinite in speciation models may not be necessary. However, before the component additivity approach can be applied to natural sediments and soils, the effects of aging must be further studied and methods must be developed to estimate reactive surface areas of solid constituents in natural samples.

  8. Geophysical and geochemical techniques for exploration of hydrocarbons and minerals

    International Nuclear Information System (INIS)

    Sittig, M.

    1980-01-01

    The detailed descriptive information in this book is based on 389 US patents that deal with geophysical and geochemical techniques useful for the exploration of hydrocarbons and minerals. Where it was necessary to round out the complete technological picture, a few paragraphs from cited government reports have been included. These techniques are used in prospecting for oil, coal, oil shale, tar sand and minerals. The patents are grouped under the following chapters: geochemical prospecting; geobiological prospecting; geophysical exploration; magnetic geophysical prospecting; gravitational geophysical prospecting; electrical geophysical prospecting; nuclear geophysical prospecting; seismic geophysical prospecting; and exploratory well drilling. This book serves a double purpose in that it supplies detailed technical information and can be used as a guide to the US patent literature in this field. By indicating all the information that is significant, and eliminating legal jargon and juristic phraseology, this book presents an advanced, industrially oriented review of modern methods of geophysical and geochemical exploration techniques

  9. A geochemical atlas of North Carolina, USA

    Science.gov (United States)

    Reid, J.C.

    1993-01-01

    A geochemical atlas of North Carolina, U.S.A., was prepared using National Uranium Resource Evaluation (NURE) stream-sediment data. Before termination of the NURE program, sampling of nearly the entire state (48,666 square miles of land area) was completed and geochemical analyses were obtained. The NURE data are applicable to mineral exploration, agriculture, waste disposal siting issues, health, and environmental studies. Applications in state government include resource surveys to assist mineral exploration by identifying geochemical anomalies and areas of mineralization. Agriculture seeks to identify areas with favorable (or unfavorable) conditions for plant growth, disease, and crop productivity. Trace elements such as cobalt, copper, chromium, iron, manganese, zinc, and molybdenum must be present within narrow ranges in soils for optimum growth and productivity. Trace elements as a contributing factor to disease are of concern to health professionals. Industry can use pH and conductivity data for water samples to site facilities which require specific water quality. The North Carolina NURE database consists of stream-sediment samples, groundwater samples, and stream-water analyses. The statewide database consists of 6,744 stream-sediment sites, 5,778 groundwater sample sites, and 295 stream-water sites. Neutron activation analyses were provided for U, Br, Cl, F, Mn, Na, Al, V, Dy in groundwater and stream water, and for U, Th, Hf, Ce, Fe, Mn, Na, Sc, Ti, V, Al, Dy, Eu, La, Sm, Yb, and Lu in stream sediments. Supplemental analyses by other techniques were reported on U (extractable), Ag, As, Ba, Be, Ca, Co, Cr, Cu, K, Li, Mg, Mo, Nb, Ni, P, Pb, Se, Sn, Sr, W, Y, and Zn for 4,619 stream-sediment samples. A small subset of 334 stream samples was analyzed for gold. The goal of the atlas was to make available the statewide NURE data with minimal interpretation to enable prospective users to modify and manipulate the data for their end use. The atlas provides only

  10. Central Colorado Assessment Project (CCAP)-Geochemical data for rock, sediment, soil, and concentrate sample media

    Science.gov (United States)

    Granitto, Matthew; DeWitt, Ed H.; Klein, Terry L.

    2010-01-01

    This database was initiated, designed, and populated to collect and integrate geochemical data from central Colorado in order to facilitate geologic mapping, petrologic studies, mineral resource assessment, definition of geochemical baseline values and statistics, environmental impact assessment, and medical geology. The Microsoft Access database serves as a geochemical data warehouse in support of the Central Colorado Assessment Project (CCAP) and contains data tables describing historical and new quantitative and qualitative geochemical analyses determined by 70 analytical laboratory and field methods for 47,478 rock, sediment, soil, and heavy-mineral concentrate samples. Most samples were collected by U.S. Geological Survey (USGS) personnel and analyzed either in the analytical laboratories of the USGS or by contract with commercial analytical laboratories. These data represent analyses of samples collected as part of various USGS programs and projects. In addition, geochemical data from 7,470 sediment and soil samples collected and analyzed under the Atomic Energy Commission National Uranium Resource Evaluation (NURE) Hydrogeochemical and Stream Sediment Reconnaissance (HSSR) program (henceforth called NURE) have been included in this database. In addition to data from 2,377 samples collected and analyzed under CCAP, this dataset includes archived geochemical data originally entered into the in-house Rock Analysis Storage System (RASS) database (used by the USGS from the mid-1960s through the late 1980s) and the in-house PLUTO database (used by the USGS from the mid-1970s through the mid-1990s). All of these data are maintained in the Oracle-based National Geochemical Database (NGDB). Retrievals from the NGDB and from the NURE database were used to generate most of this dataset. In addition, USGS data that have been excluded previously from the NGDB because the data predate earliest USGS geochemical databases, or were once excluded for programmatic reasons

  11. Oriented coupling of major histocompatibility complex (MHC) to sensor surfaces using light assisted immobilisation technology

    DEFF Research Database (Denmark)

    Snabe, Torben; Røder, Gustav Andreas; Neves-Petersen, Maria Teresa

    2005-01-01

    Controlled and oriented immobilisation of proteins for biosensor purposes is of extreme interest since this provides more efficient sensors with a larger density of active binding sites per area compared to sensors produced by conventional immobilisation. In this paper oriented coupling of a major...... histocompatibility complex (MHC class I) to a sensor surface is presented. The coupling was performed using light assisted immobilisation--a novel immobilisation technology which allows specific opening of particular disulphide bridges in proteins which then is used for covalent bonding to thiol-derivatised surfaces...... via a new disulphide bond. Light assisted immobilisation specifically targets the disulphide bridge in the MHC-I molecule alpha(3)-domain which ensures oriented linking of the complex with the peptide binding site exposed away from the sensor surface. Structural analysis reveals that a similar...

  12. First principles studies of complex oxide surfaces and interfaces

    International Nuclear Information System (INIS)

    Noguera, Claudine; Finocchi, Fabio; Goniakowski, Jacek

    2004-01-01

    Oxides enter our everyday life and exhibit an impressive variety of physical and chemical properties. The understanding of their behaviour, which is often determined by the electronic and atomic structures of their surfaces and interfaces, is a key question in many fields, such as geology, environmental chemistry, catalysis, thermal coatings, microelectronics, and bioengineering. In the last decade, first principles methods, mainly those based on the density functional theory, have been frequently applied to study complex oxide surfaces and interfaces, complementing the experimental observations. In this work, we discuss some of these contributions, with emphasis on several issues that are especially important when dealing with oxides: the local electronic structure at interfaces, and its connection with chemical reactivity; the charge redistribution and the bonding variations, in relation to screening properties; and the possibility of bridging the gap between model and real systems by taking into account the chemical environments and the effect of finite temperatures, and by performing simulations on systems of an adequate (large) size

  13. Experimental studies on the geochemical behaviour of 54-Mn considering coastal and deep sea sediments

    International Nuclear Information System (INIS)

    Guegueniat, P.; Boust, D.; Dupont, J.P.; Aprosi, G.

    1985-01-01

    In order to study the geochemical behaviour of 54-Mn in the marine environment (Mn/sup 2+/) 200 sediments gathered in deep sea and in coastal waters were contaminated experimentally. To correlate the various results, the oxidation processes occurring with or without sediments should be specified. During this experimental work, the geochemical behaviour of manganese is dealt with using a radioactive tracer (54-Mn) in the divalent state and sediments collected on french littoral (160) in deep sea (30). The latest data published offer an excellent assessment of research findings on manganese in marine and estuary environments and testify to the interest constantly generated by this subject. It is difficult to establish a priori any predictions on the behaviour of manganese based on the properties of a given environment, notably as concerns redox conditions. The oxidation of manganese was found to be governed by a very slow autocatalysis mechanism capable of being concealed by surface catalyses on mineral phases in suspension or oxidation due to bacteria. The residence time in sea water vary considerably depending on the case from a few days to some tens of years

  14. Application of the X-ray fluorescence analysis and X-ray diffraction in geochemical studies of the Pleistocene tills from Holy Cross Mountains

    International Nuclear Information System (INIS)

    Kubala-Kukuś, A.; Ludwikowska-Kedzia, M.; Banaś, D.; Braziewicz, J.; Majewska, U.; Pajek, M.; Wudarczyk-Moćko, J.

    2013-01-01

    X-ray fluorescence analysis methods (wavelength dispersive X-ray fluorescence analysis (WDXRF) and total reflection X-ray fluorescence (TXRF)) and X-ray powder diffraction (XRPD) have been applied in complementary geochemical studies of the Pleistocene till samples. The XRPD technique gave information about the mineral composition of the analyzed samples while the WDXRF and TXRF studies allowed the fast elemental analysis. The till samples were collected from different regions of Holy Cross Mountains (located in central Poland) which are still not unambiguously described in the context of the geochemical studies of the Quaternary sediments. The analysis was concentrated on the geochemical composition of the till samples both for materials occurring on the surface (characterized by continuous weathering processes) and for samples taken from core borehole. The overriding purpose of these studies is determination of the local lithotype of the tills and its lithologic and petrographic diagnostic properties, including the chemical composition of clay and minerals found in the clay. In the presented work the experimental sets up, sample preparation procedure and measurements programme will be discussed in details. Finally, the elemental and mineral compositions will be presented for studied different groups of the samples. - Highlights: • XRF analysis and X-ray diffraction used in studies of the till samples. • The till samples were collected from different regions of Holy Cross Mountains. • The analysis concentrates both on the samples from surface and from core borehole. • The purpose is determination of the local lithotype of the tills. • The experimental setup, sample preparation, measurements and results are discussed

  15. Version 4. 00 of the MINTEQ geochemical code

    Energy Technology Data Exchange (ETDEWEB)

    Eary, L.E.; Jenne, E.A.

    1992-09-01

    The MINTEQ code is a thermodynamic model that can be used to calculate solution equilibria for geochemical applications. Included in the MINTEQ code are formulations for ionic speciation, ion exchange, adsorption, solubility, redox, gas-phase equilibria, and the dissolution of finite amounts of specified solids. Since the initial development of the MINTEQ geochemical code, a number of undocumented versions of the source code and data files have come into use at the Pacific Northwest Laboratory (PNL). This report documents these changes, describes source code modifications made for the Aquifer Thermal Energy Storage (ATES) program, and provides comprehensive listings of the data files. A version number of 4.00 has been assigned to the MINTEQ source code and the individual data files described in this report.

  16. Version 4.00 of the MINTEQ geochemical code

    Energy Technology Data Exchange (ETDEWEB)

    Eary, L.E.; Jenne, E.A.

    1992-09-01

    The MINTEQ code is a thermodynamic model that can be used to calculate solution equilibria for geochemical applications. Included in the MINTEQ code are formulations for ionic speciation, ion exchange, adsorption, solubility, redox, gas-phase equilibria, and the dissolution of finite amounts of specified solids. Since the initial development of the MINTEQ geochemical code, a number of undocumented versions of the source code and data files have come into use at the Pacific Northwest Laboratory (PNL). This report documents these changes, describes source code modifications made for the Aquifer Thermal Energy Storage (ATES) program, and provides comprehensive listings of the data files. A version number of 4.00 has been assigned to the MINTEQ source code and the individual data files described in this report.

  17. Observations of mechanical-hydraulic-geochemical interactions due to drainage of a surface water reservoir in Switzerland

    Science.gov (United States)

    Lunn, R. J.; Kinali, M.; Pytharouli, S.; Shipton, Z.; Stillings, M.; Lord, R.

    2016-12-01

    The drainage and refilling of a surface water reservoir beside the Grimsel Test Site (GTS) underground rock laboratory in Switzerland, has provided a unique opportunity to study in-situ rock mechanical, hydraulic and chemical interactions under large-scale stress changes. The reservoir was drained in October/November 2014 to enable dam maintenance and extension of the regional hydropower tunnel system. Reservoir drainage will have caused rapid unloading of the surrounding rock mass. The GTS sits 37m below the top of the reservoir and 200-600m away laterally within the mountainside on the eastern bank of the reservoir. Gradual refilling of the reservoir, via natural snowmelt and runoff, commenced in February 2015. As part of the European LASMO Project, researchers at Strathclyde, funded by Radioactive Waste Management Ltd., have been investigating mechanical-chemical-hydraulic coupling within the rock mass as an analogue for glacial unloading and loading of a future Geological Disposal Facility. We have deployed three 3-component and 6 single-component micro-seismometers within the GTS and surrounding hydropower tunnel network. In parallel, we have implemented a groundwater sampling programme, using boreholes within the GTS, for temporal determination of geochemistry and flow rate. Preliminary data analyses show geochemical anomalies during unloading, as well as detection of microseismic events. The signal-to-noise ratio of the micro-seismic data is extremely poor. Noise amplitude, and frequency content, variy throughout each day, between days, and from month-to-month on a highly unpredictable basis. This is probably due to the multitude of hydropower turbines and pump-storage systems within the surrounding mountains. To discriminate micro-seismic events, we have developed a new methodology for characterizing background noise within the seismic signal and combined this with cross-correlations techniques generally applied in microseismic analysis of hydraulic

  18. National Geochemical Survey Locations and Results for Iowa

    Data.gov (United States)

    Iowa State University GIS Support and Research Facility — The United States Geological Survey (USGS), in collaboration with other state and federal agencies, industry, and academia, is conducting a National Geochemical...

  19. Determination of geochemical and natural radioactivity characteristics in Bilecik Marble, Turkey

    Science.gov (United States)

    Yerel Kandemir, Suheyla; Ozbay, Nurgul

    2014-05-01

    Natural stones are one of the oldest known building materials. There are more than 400 natural stone in Turkey. Recently, the demand for the natural stone types in markets has been increasing rapidly. For this reason, the geochemical and natural radioactivity characteristics of natural stone are very important. Bilecik province is located at the northwest part of Turkey and it is surrounded by Sakarya, Bursa, Eskisehir and Kutahya city. Bilecik is one of the important marble industry regions of Turkey. Thus, the geochemical and natural radioactivity characteristics of Bilecik marble are very important. In this study, Bilecik marble was collected to determine the geochemistry and natural radioactivity. Then, analyses of geochemical and natural radioactivity in the marble samples are interpreted. ACKNOWLEDGMENT This study is supported by Bilecik Seyh Edebali University scientific project (Project Number =2011-02-BIL.03-04).

  20. The role of atomic absorption spectrometry in geochemical exploration

    Science.gov (United States)

    Viets, J.G.; O'Leary, R. M.

    1992-01-01

    In this paper we briefly describe the principles of atomic absorption spectrometry (AAS) and the basic hardware components necessary to make measurements of analyte concentrations. Then we discuss a variety of methods that have been developed for the introduction of analyte atoms into the light path of the spectrophotometer. This section deals with sample digestion, elimination of interferences, and optimum production of ground-state atoms, all critical considerations when choosing an AAS method. Other critical considerations are cost, speed, simplicity, precision, and applicability of the method to the wide range of materials sampled in geochemical exploration. We cannot attempt to review all of the AAS methods developed for geological materials but instead will restrict our discussion to some of those appropriate for geochemical exploration. Our background and familiarity are reflected in the methods we discuss, and we have no doubt overlooked many good methods. Our discussion should therefore be considered a starting point in finding the right method for the problem, rather than the end of the search. Finally, we discuss the future of AAS relative to other instrumental techniques and the promising new directions for AAS in geochemical exploration. ?? 1992.

  1. LASL approach to uranium geochemical reconnaissance

    Energy Technology Data Exchange (ETDEWEB)

    Sharp, R.R. Jr.

    1977-01-01

    The US ERDA, as part of the NURE program, has initiated a nationwide Hydrogeochemical and Stream Sediment Reconnaissance (HSSR). The aims of the NURE program are to provide data on which to base more accurate estimates of US uranium reserves for long-range planning and to aid in meeting the nation's projected uranium demands into the next century. The HSSR objective is to complete, by 1980, a reconnaissance of the nation's surface waters, ground waters, and stream and lake sediments, to aid in assessment of uranium reserves and identification of areas of interest for exploration. Patterned after extensive uranium reconnaissance done in many other countries, the LASL project is comprised of the following five components: (1) organization and planning, which includes management, design, and execution; (2) field sampling, which includes orientation studies, generation of specifications, and contracting and inspection of field work; (3) sample receiving and analysis, which includes development of methods and hardware, quality assurance, and archival storage; (4) data handling and presentation, including verification, storage, output, and plotting; and (5) data evaluation and publication, which incorporates geochemical, geological, statistical, and empirical evaluation and report writing. The LASL approach to each component and the current status in each state are described.

  2. LASL approach to uranium geochemical reconnaissance

    International Nuclear Information System (INIS)

    Sharp, R.R. Jr.

    1977-01-01

    The US ERDA, as part of the NURE program, has initiated a nationwide Hydrogeochemical and Stream Sediment Reconnaissance (HSSR). The aims of the NURE program are to provide data on which to base more accurate estimates of US uranium reserves for long-range planning and to aid in meeting the nation's projected uranium demands into the next century. The HSSR objective is to complete, by 1980, a reconnaissance of the nation's surface waters, ground waters, and stream and lake sediments, to aid in assessment of uranium reserves and identification of areas of interest for exploration. Patterned after extensive uranium reconnaissance done in many other countries, the LASL project is comprised of the following five components: (1) organization and planning, which includes management, design, and execution; (2) field sampling, which includes orientation studies, generation of specifications, and contracting and inspection of field work; (3) sample receiving and analysis, which includes development of methods and hardware, quality assurance, and archival storage; (4) data handling and presentation, including verification, storage, output, and plotting; and (5) data evaluation and publication, which incorporates geochemical, geological, statistical, and empirical evaluation and report writing. The LASL approach to each component and the current status in each state are described

  3. Application of geochemical methods in earthquake prediction in China

    Energy Technology Data Exchange (ETDEWEB)

    Fong-liang, J.; Gui-ru, L.

    1981-05-01

    Several geochemical anomalies were observed before the Haichen, Longling, Tangshan, and Songpan earthquakes and their strong aftershocks. They included changes in groundwater radon levels; chemical composition of the groundwater (concentration of Ca/sup + +/, Mg/sup + +/, Cl/sup -/, So/sub 4//sup , and HCO/sub 3//sup -/ ions); conductivity; and dissolved gases such as H/sub 2/, CO/sub 2/, etc. In addition, anomalous changes in water color and quality were observed before these large earthquakes. Before some events gases escaped from the surface, and there were reports of ''ground odors'' being smelled by local residents. The large amount of radon data can be grouped into long-term and short-term anomalies. The long-term anomalies have a radon emission build up time of from a few months to more than a year. The short-term anomalies have durations from a few hours or less to a few months.

  4. Modeling Background Radiation in our Environment Using Geochemical Data

    Energy Technology Data Exchange (ETDEWEB)

    Malchow, Russell L.; Marsac, Kara [University of Nevada, Las Vegas; Burnley, Pamela [University of Nevada, Las Vegas; Hausrath, Elisabeth [Uniiversity of Nevada, Las Vegas; Haber, Daniel [University of Nevada, Las Vegas; Adcock, Christopher [University of Nevada, Las Vegas

    2015-02-01

    Radiation occurs naturally in bedrock and soil. Gamma rays are released from the decay of the radioactive isotopes K, U, and Th. Gamma rays observed at the surface come from the first 30 cm of rock and soil. The energy of gamma rays is specific to each isotope, allowing identification. For this research, data was collected from national databases, private companies, scientific literature, and field work. Data points were then evaluated for self-consistency. A model was created by converting concentrations of U, K, and Th for each rock and soil unit into a ground exposure rate using the following equation: D=1.32 K+ 0.548 U+ 0.272 Th. The first objective of this research was to compare the original Aerial Measurement System gamma ray survey to results produced by the model. The second objective was to improve the method and learn the constraints of the model. Future work will include sample data analysis from field work with a goal of improving the geochemical model.

  5. Development of geophysical and geochemical data processing software based on component GIS

    International Nuclear Information System (INIS)

    Ke Dan; Yu Xiang; Wu Qubo; Han Shaoyang; Li Xi

    2013-01-01

    Based on component GIS and mixed programming techniques, a software which combines the basic GIS functions, conventional and unconventional data process methods for the regional geophysical and geochemical data together, is designed and developed. The software has many advantages, such as friendly interface, easy to use and utility functions and provides a useful platform for regional geophysical and geochemical data processing. (authors)

  6. PHREEQC, Modeling of Geochemical Reactions, Calculation of pH, Redox Potential. PHREEQCI, Windows Interactive Version of PHREEQC. PHRQCGRF, code to create graphs from the data generated by PHREEQC

    International Nuclear Information System (INIS)

    Parkhust, David L.

    2005-01-01

    Description of program or function: PHREEQC is a computer program written in the C programming language that is designed to perform a wide variety of aqueous geochemical calculations. PHREEQC is based on an ion-association aqueous model and has capabilities for (1) speciation and saturation-index calculations, (2) reaction-path and advective-transport calculations involving specified irreversible reactions, mixing of solutions, mineral and gas equilibria, surface- complexation reactions, and ion-exchange reactions, and (3) inverse modeling, which finds sets of mineral and gas mole transfers that account for composition differences between waters, within specified compositional uncertainties. PHREEQC is derived from the Fortran program PHREEQE, but it has been completely rewritten in C with the addition of many new capabilities. New features include the capabilities to use redox couples to distribute redox elements among their valence states in speciation calculations; to model ion-exchange and surface-complexation reactions; to model reactions with a fixed-pressure, multicomponent gas phase (that is, a gas bubble); to calculate the mass of water in the aqueous phase during reaction and transport calculations; to keep track of the moles of minerals present in the solid phases and determine automatically the thermodynamically stable phase assemblage; to simulate advective transport in combination with PHREEQC's reaction-modeling capability; and to make inverse modeling calculations that allow for uncertainties in the analytical data. The user interface is improved through the use of a simplified approach to redox reactions, which includes explicit mole-balance equations for hydrogen and oxygen; the use of a revised input that is modular and completely free format; and the use of mineral names and standard chemical symbolism rather than index numbers. The use of C eliminates nearly all limitations on array sizes, including numbers of elements, aqueous species

  7. Formation mechanism of a silane-PVA/PVAc complex film on a glass fiber surface.

    Science.gov (United States)

    Repovsky, Daniel; Jane, Eduard; Palszegi, Tibor; Slobodnik, Marek; Velic, Dusan

    2013-10-21

    Mechanical properties of glass fiber reinforced composite materials are affected by fiber sizing. A complex film formation, based on a silane film and PVA/PVAc (polyvinyl alcohol/polyvinyl acetate) microspheres on a glass fiber surface is determined at 1) the nanoscale by using atomic force microscopy (AFM), and 2) the macroscale by using the zeta potential. Silane groups strongly bind through the Si-O-Si bond to the glass surface, which provides the attachment mechanism as a coupling agent. The silane groups form islands, a homogeneous film, as well as empty sites. The average roughness of the silanized surface is 6.5 nm, whereas it is only 0.6 nm for the non-silanized surface. The silane film vertically penetrates in a honeycomb fashion from the glass surface through the deposited PVA/PVAc microspheres to form a hexagonal close pack structure. The silane film not only penetrates, but also deforms the PVA/PVAc microspheres from the spherical shape in a dispersion to a ellipsoidal shape on the surface with average dimensions of 300/600 nm. The surface area value Sa represents an area of PVA/PVAc microspheres that are not affected by the silane penetration. The areas are found to be 0.2, 0.08, and 0.03 μm(2) if the ellipsoid sizes are 320/570, 300/610, and 270/620 nm for silane concentrations of 0, 3.8, and 7.2 μg mL(-1), respectively. The silane film also moves PVA/PVAc microspheres in the process of complex film formation, from the low silane concentration areas to the complex film area providing enough silane groups to stabilize the structure. The values for the residual silane honeycomb structure heights (Ha ) are 6.5, 7, and 12 nm for silane concentrations of 3.8, 7.2, and 14.3 μg mL(-1), respectively. The pH-dependent zeta-potential results suggest a specific role of the silane groups with effects on the glass fiber surface and also on the PVA/PVAc microspheres. The non-silanized glass fiber surface and the silane film have similar zeta potentials ranging

  8. Geochemical prospect ion results of Mariscala aerial photo

    International Nuclear Information System (INIS)

    Filippini, J.

    1989-01-01

    This report shows the geochemical prospect ion results carried out within the framework of the metalical mining prospect ion in Mariscala aerial photo. Lavalleja district belong to the Mining inventory programme of Uruguay.

  9. Geochemical methodology for gold prospect ion in Uruguay

    International Nuclear Information System (INIS)

    Spangenber, J.

    1987-01-01

    This work is about the history of gold prospection in Uruguay. In this study there are considered the geochemical aspects, the gold performance, the applicability to mining prospection and the gold prospection aluvionar

  10. Characterization and complexation of humic acid

    International Nuclear Information System (INIS)

    Kim, J.I.; Buckau, G.; Klenze, R.; Rhee, D.S.; Wimmer, H.

    1990-05-01

    This paper summarizes the research contributions to the CEC project MIRAGE II, particularly the research area: complexation and colloids (COCO). The first part of the paper comprises the characterization of humic and fulvic acids from different origins: a commercial product from Aldrich Co. used as a reference humic acid and site specific humic acids from Gorleben (FRG), Boom Clay (B) and Fanay Augeres (F) aquifer systems. The second part includes the complexation of trivalent actinides: Am(III) and Cm(III) with various humic acids. A number of different methods have been applied for the complexation study: spectrophotometry, ultrafiltration, laser-indused photoacoustic spectroscopy (LPAS) and time resolved laser fluorescence spectroscopy (TRLFS). The evaluation process of complexation constant is discussed extensively and the well consolidated results are presented, which can be directly used for the geochemical modelling of the radionuclide migration. (orig.)

  11. Surface Structures Formed by a Copper(II Complex of Alkyl-Derivatized Indigo

    Directory of Open Access Journals (Sweden)

    Akinori Honda

    2016-10-01

    Full Text Available Assembled structures of dyes have great influence on their coloring function. For example, metal ions added in the dyeing process are known to prevent fading of color. Thus, we have investigated the influence of an addition of copper(II ion on the surface structure of alkyl-derivatized indigo. Scanning tunneling microscope (STM analysis revealed that the copper(II complexes of indigo formed orderly lamellar structures on a HOPG substrate. These lamellar structures of the complexes are found to be more stable than those of alkyl-derivatized indigos alone. Furthermore, 2D chirality was observed.

  12. Geochemical correlations between uranium and other components in U-bearing formations of Ogcheon belt

    International Nuclear Information System (INIS)

    Lee, M.S.; Chon, H.T.

    1980-01-01

    Some components in uranium-bearing formations which consist mainly of black shale, slate and low grade coal-bearing formation of Ogcheon Belt were processed statistically in order to find out the geochemical correlations with uranium. Geochemical enrichment of uranium, vanadium and molybdenum in low grade coal-bearing formations and surrounding rocks is remarkable in the studied area. Geochemical correlation coefficient of uranium and molybdenum in the rocks displays about 0.6 and that of uranium and fixed carbon about 0.4. Uranium and vanadium in uranium-bearing low grade coals denote very high correlation with fixed carbon, which is considered to be responsible for enrichment of metallic elements, especially molybdenum. Close geochemical correlation of uranium-molybdenum couple in the rocks can be applied as a competent exploration guide to low grade uranium deposits of this area. (author)

  13. Geochemical landscapes of the conterminous United States; new map presentations for 22 elements

    Science.gov (United States)

    Gustavsson, N.; Bolviken, B.; Smith, D.B.; Severson, R.C.

    2001-01-01

    Geochemical maps of the conterminous United States have been prepared for seven major elements (Al, Ca, Fe, K, Mg, Na, and Ti) and 15 trace elements (As, Ba, Cr, Cu, Hg, Li, Mn, Ni, Pb, Se, Sr, V, Y, Zn, and Zr). The maps are based on an ultra low-density geochemical survey consisting of 1,323 samples of soils and other surficial materials collected from approximately 1960-1975. The data were published by Boerngen and Shacklette (1981) and black-and-white point-symbol geochemical maps were published by Shacklette and Boerngen (1984). The data have been reprocessed using weighted-median and Bootstrap procedures for interpolation and smoothing.

  14. Direct observation of surface reconstruction and termination on a complex metal oxide catalyst by electron microscopy

    KAUST Repository

    Zhu, Yihan

    2012-03-19

    On the surface: The surface reconstruction of an MoVTeO complex metal oxide catalyst was observed directly by various electron microscopic techniques and the results explain the puzzling catalytic behavior. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Surface complexation modeling of the effects of phosphate on uranium(VI) adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Romero-Gonzalez, M.R.; Cheng, T.; Barnett, M.O. [Auburn Univ., AL (United States). Dept. of Civil Engeneering; Roden, E.E. [Wisconsin Univ., Madison, WI (United States). Dept. of Geology and Geophysics

    2007-07-01

    Previous published data for the adsorption of U(VI) and/or phosphate onto amorphous Fe(III) oxides (hydrous ferric oxide, HFO) and crystalline Fe(III) oxides (goethite) was examined. These data were then used to test the ability of a commonly-used surface complexation model (SCM) to describe the adsorption of U(VI) and phosphate onto pure amorphous and crystalline Fe(III) oxides and synthetic goethite-coated sand, a surrogate for a natural Fe(III)-coated material, using the component additivity (CA) approach. Our modeling results show that this model was able to describe U(VI) adsorption onto both amorphous and crystalline Fe(III) oxides and also goethite-coated sand quite well in the absence of phosphate. However, because phosphate adsorption exhibits a stronger dependence on Fe(III) oxide type than U(VI) adsorption, we could not use this model to consistently describe phosphate adsorption onto both amorphous and crystalline Fe(III) oxides and goethite-coated sand. However, the effects of phosphate on U(VI) adsorption could be incorporated into the model to describe U(VI) adsorption to both amorphous and crystalline Fe(III) oxides and goethite-coated sand, at least for an initial approximation. These results illustrate both the potential and limitations of using surface complexation models developed from pure systems to describe metal/radionuclide adsorption under more complex conditions. (orig.)

  16. Surface complexation modeling of the effects of phosphate on uranium(VI) adsorption

    International Nuclear Information System (INIS)

    Romero-Gonzalez, M.R.; Cheng, T.; Barnett, M.O.; Roden, E.E.

    2007-01-01

    Previous published data for the adsorption of U(VI) and/or phosphate onto amorphous Fe(III) oxides (hydrous ferric oxide, HFO) and crystalline Fe(III) oxides (goethite) was examined. These data were then used to test the ability of a commonly-used surface complexation model (SCM) to describe the adsorption of U(VI) and phosphate onto pure amorphous and crystalline Fe(III) oxides and synthetic goethite-coated sand, a surrogate for a natural Fe(III)-coated material, using the component additivity (CA) approach. Our modeling results show that this model was able to describe U(VI) adsorption onto both amorphous and crystalline Fe(III) oxides and also goethite-coated sand quite well in the absence of phosphate. However, because phosphate adsorption exhibits a stronger dependence on Fe(III) oxide type than U(VI) adsorption, we could not use this model to consistently describe phosphate adsorption onto both amorphous and crystalline Fe(III) oxides and goethite-coated sand. However, the effects of phosphate on U(VI) adsorption could be incorporated into the model to describe U(VI) adsorption to both amorphous and crystalline Fe(III) oxides and goethite-coated sand, at least for an initial approximation. These results illustrate both the potential and limitations of using surface complexation models developed from pure systems to describe metal/radionuclide adsorption under more complex conditions. (orig.)

  17. Surface rheological properties of liquid-liquid interfaces stabilized by protein fibrillar aggregates and protein-polysaccharide complexes

    NARCIS (Netherlands)

    Humblet-Hua, K.N.P.; Linden, van der E.; Sagis, L.M.C.

    2013-01-01

    In this study we have investigated the surface rheological properties of oil-water interfaces stabilized by fibrils from lysozyme (long and semi-flexible and short and rigid ones), fibrils from ovalbumin (short and semi-flexible), lysozyme-pectin complexes, or ovalbumin-pectin complexes. We have

  18. Evaluation of disposal site geochemical performance using a containment factor

    International Nuclear Information System (INIS)

    Lerman, A.; Domenico, P.A.; Bartlett, J.W.

    1988-01-01

    The containment factor is a measure of retention by geologic setting of wastes released from a repository. The factor is alternatively defined either in terms of several measurable hydrological and geochemical parameters, or in terms of amounts of waste components that may be released to the geologic setting and, subsequently, to the environment. Containment factors for individual waste components in a given geologic setting are functions of groundwater to rock volume ratios, sorption or exchange characteristics of the rocks, and containment time to groundwater travel time ratios. For high-level radioactive wastes, containment factors based on the NRC and EPA limit values for cumulative releases from waste and to the environment provide a measure of the geochemical performance of the geologic setting in tuff, basalt, and salt. The containment factor values for individual nuclides from high-level wastes indicate that for some of the nuclides containment may be achieved by groundwater travel time along. For other nuclides, additional performance functions need to be allocated to geochemical retention by such processes as sorption, ion-exchange or precipitation

  19. Geochemical of clay formations : study of Spanish clay REFERENCE

    International Nuclear Information System (INIS)

    Turrero, M. J.; Pena, J.

    2003-01-01

    Clay rocks are investigated in different international research programs in order to assess its feasibility for the disposal of high level radioactive wastes. This is because different sepcific aspects: they have low hydraulic conductivity (10''-11-10''-15 m/s), a high sorption capacity, self-sealing capacity of facults and discontinuities and mechanical resistance. Several research programs on clay formations are aimed to study the chemistry of the groundwater and the water-rock reactions that control it: e. g. Boom Clay (Mol, Belgium), Oxford Clay /Harwell, United Kingdom), Toarcian Clay (Tournemire, France), Palfris formation (Wellenberg, Switzerland), Opalinus Clay (Bure, France). Based on these studies, considerable progress in the development of techniques for hydrologic, geochemical and hydrogeochemical characterization of mudstones has been accomplished (e. g. Beaufais et al. 1994, De Windt el al. 1998. Thury and Bossart 1999, Sacchi and Michelot 2000) with important advances in the knowledge of geochemical process in these materials (e. g. Reeder et al. 1993, Baeyens and Brandbury 1994, Beaucaire et al. 2000, Pearson et al., 2003).Furtermore, geochemical modeling is commonly used to simulate the evolution of water chemistry and to understand quantitatively the processes controlling the groundwater chemistry (e. g. Pearson et al. 1998, Tempel and Harrison 2000, Arcos et al., 2001). The work presented here is part of a research program funded by Enresa in the context of its R and D program. It is focused on the characterization of a clay formation (reference Argillaceous Formation, RAF) located within the Duero Basin (north-centralSpain). The characterisation of th ephysical properties,, fluid composition, mineralogy, water-rock reaction processes, geochemical modelling and sorption properties of the clays from the mentioned wells is the main purpose of this work. (Author)

  20. Geochemical characterization of Parana Basin volcanic rocks: petrogenetic implications

    International Nuclear Information System (INIS)

    Marques, L.S.

    1988-01-01

    A detailed study of the geochemical characteristics of Parana Basin volcanic rocks is presented. The results are based on the analyses of major and trace elements of 158 samples. Ninety three of these volcanic samples belong to 8 flow sequences from Rio Grande do Sul and Santa Catarina States. The remaining sixty five samples are distributed over the entire basin. In order to study the influence of crustal contamination processes in changing chemical characteristics of the volcanic rocks, 47 samples representative of the crystalline basement of the southern and southeastern Parana Basin were also analysed. Several petrogenetic models were tested to explain the compocional variability of the volcanic rocks, in particular those of southern region. The results obtained sugest an assimilation-fractional crystallization process as viable to explain the differences of both the chemical characteristics and Sr isotope initial ratios observed in basic and intermediate rocks. A model involving melting processes of basic material, trapped at the base of the crust, with composition similar to low and high TiO 2 basalts appears to be a possibility to originate the Palmas and Chapeco acid melts, respectively. The study of ''uncontaminated'' or poorly contaminated low TiO 2 basic rocks from the southern, central and northern regions shows the existence of significant differences in the geochemical charactetistics according to their geographical occurrence. A similar geochemical diversity is also observed in high TiO 2 basalts and Chapeco volcanics. Differences in incompatible element ratios between low and high TiO 2 ''uncontaminated'' or poorly contaminated basalts suggest that they could have been produced by different degrees of melting in a garnet peridotite source. Geochemical and isotopic (Sr and Nd) data also support the view that basalts from northern and southern regions of Parana Basin originated from mantle source with different composition. (author) [pt

  1. Geochemical Fate and Transport of Sildenafil and Vardenafil

    Science.gov (United States)

    Richter, L.; Boudinot, G.; Vulava, V. M.; Cory, W. C.

    2015-12-01

    The geochemical fate of pharmaceuticals and their degradation products is a developing environmental field. The geologic, chemical, and biological fate of these pollutants has become very relevant with the increase in human population and the resulting increase in pollutant concentrations in the environment. In this study, we focus on sildenafil (SDF) and vardenafil (VDF), active compounds in Viagra and Levitra, respectively, two commonly used erectile dysfunction drugs. The main objective is to determine the sorption potential and transport behavior of these two compounds in natural soils. Both SDF and VDF are complex organic molecules with multiple amine functional groups in their structures. Two types of natural acidic soils (pH≈4.5), an organic-rich soil (7.6% OM) and clay-rich soil (5.1% clay) were used in this study to determine which soil components influence sorption behavior of both compounds. Sorption isotherms measured using batch reactors were nearly linear, but sorption was stronger in soil that contained higher clay content. Both compounds have multiple pKas due to the amine functional groups, the relevant pKas of SDF are 5.97 and 7.27, and those of VDF's are 4.72 and 6.21. These values indicate that these compounds likely behave as cations in soil suspensions and hence were strongly sorbed to negatively-charged clay minerals present in both soils. The clay composition in both soils is predominantly kaolinite with smaller amount of montmorillonite, both of which have a predominantly negative surface charge. Transport experiments using glass chromatography columns indicated that both compounds were more strongly retarded in the clay-rich soils. Breakthrough curves from the transport experiments were modeled using convection-dispersion transport equations. The organic matter in the soil seemed to play a less dominant role in the geochemistry in this study, but is likely to transform both compounds into derivative compounds as seen in other studies.

  2. Cell surface clustering of Cadherin adhesion complex induced by antibody coated beads

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Cadherin receptors mediate cell-cell adhesion, signal transduction and assembly of cytoskeletons. How a single transmembrane molecule Cadherin can be involved in multiple functions through modulating its binding activities with many membrane adhesion molecules and cytoskeletal components is an unanswered question which can be elucidated by clues from bead experiments. Human lung cells expressing N-Cadherin were examined. After co-incubation with anti-N-Cadherin monoclonal antibody coated beads, cell surface clustering of N-Cadherin was induced. Immunofluorescent detection demonstrated that in addition to Cadherin, β-Catenin, α-Catenin, α-Actinin and Actin fluorescence also aggregated respectively at the membrane site of bead attachment. Myosin heavy chain (MHC), another major component of Actin cytoskeleton, did not aggregate at the membrane site of bead attachment. Adhesion unrelated protein Con A and polylysine conjugated beads did not induce the clustering of adhesion molecules. It is indicated that the Cadherin/Catenins/α-Actinin/Actin complex is formed at Cadherin mediated cell adherens junction; occupancy and cell surface clustering of Cadherin is crucial for the formation of Cadherin adhesion protein complexes.

  3. Geochemical modeling of the nuclear-waste repository system. A status report

    International Nuclear Information System (INIS)

    Deutsch, W.J.

    1980-12-01

    The primary objective of the geochemical modeling task is to develop an understanding of the waste-repository geochemical system and provide a valuable tool for estimating future states of that system. There currently exists a variety of computer codes which can be used in geochemical modeling studies. Some available codes contain the framework for simulating a natural chemical system and estimating, within limits, the response of that system to environmental changes. By data-base enhancement and code development, this modeling technique can be even more usefully applied to a nuclear-waste repository. In particular, thermodynamic data on elements not presently in the data base but identified as being of particular hazard in the waste-repository system, need to be incorporated into the code to estimate the near-field as well as the far-field reactions during a hypothetical breach. A reaction-path-simulation code, which estimates the products of specific rock/water reactions, has been tested using basalt and ground water. Results show that the mass-transfer capabilities of the code will be useful in chemical-evolution studies and scenario analyses. The purpose of this report is to explain the status of geochemical modeling as it currently applies to the chemical system of a hypothetical nuclear-waste repository in basalt and to present the plan proposed for further developmet and application

  4. Geothermal investigations with isotope and geochemical techniques in Latin America

    International Nuclear Information System (INIS)

    1992-03-01

    The IAEA Co-ordinated Research Programme (CRP) for Latin America on the Use of Isotope and Geochemical Techniques in Geothermal Exploration started in 1984. The first activity carried out was a Seminar on isotope and geochemical techniques in geothermal exploration, which took place in June 1984 in Morelia, Mexico. During the seminar, which was attended by representatives of the institutions which later took part in the programme, the objectives, main research lines, and geothermal fields to be studied during the CRP were discussed. The first research contracts were awarded towards the end of 1984. The field work started in 1985 and continued through 1990. During the implementation of the CRP a considerable number of geothermal fields were studied in the nine participating countries. The investigations carried out were geochemically quite comprehensive in most cases, but in some others they were still in a reconnaissance stage when the CRP ended: the latter studies are not reported in these proceedings, but the data obtained are in principle available from the relevant national institutions. While investigations with conventional geochemical techniques had already started in several fields before 1985, isotope methods were applied for the first time in all cases during this CRP. Due to the remoteness and high elevation of many of the fields studied and the adverse meteorological conditions during long periods of the year, the investigations could not proceed rapidly: this is the main reason for the unusually long duration of the CRP, which could be concluded only after more than five years after its inception

  5. Use of natural geochemical tracers to improve reservoir simulation models

    Energy Technology Data Exchange (ETDEWEB)

    Huseby, O.; Chatzichristos, C.; Sagen, J.; Muller, J.; Kleven, R.; Bennett, B.; Larter, S.; Stubos, A.K.; Adler, P.M.

    2005-01-01

    This article introduces a methodology for integrating geochemical data in reservoir simulations to improve hydrocarbon reservoir models. The method exploits routine measurements of naturally existing inorganic ion concentration in hydrocarbon reservoir production wells, and uses the ions as non-partitioning water tracers. The methodology is demonstrated on a North Sea field case, using the field's reservoir model, together with geochemical information (SO{sub 4}{sup 2}, Mg{sup 2+} K{sup +}, Ba{sup 2+}, Sr{sup 2+}, Ca{sup 2+}, Cl{sup -} concentrations) from the field's producers. From the data-set we show that some of the ions behave almost as ideal sea-water tracers, i.e. without sorption to the matrix, ion-exchange with the matrix or scale-formation with other ions in the formation water. Moreover, the dataset shows that ion concentrations in pure formation-water vary according to formation. This information can be used to allocate produced water to specific water-producing zones in commingled production. Based on an evaluation of the applicability of the available data, one inorganic component, SO{sub 4}{sup 2}, is used as a natural seawater tracer. Introducing SO{sub 4}{sup 2} as a natural tracer in a tracer simulation has revealed a potential for improvements of the reservoir model. By tracking the injected seawater it was possible to identify underestimated fault lengths in the reservoir model. The demonstration confirms that geochemical data are valuable additional information for reservoir characterization, and shows that integration of geochemical data into reservoir simulation procedures can improve reservoir simulation models. (author)

  6. On the rocks and buried : comparative assessment of the mineralogical, geochemical and archaeological evidence at Walkunder Arch, Chillagoe, north-eastern Australia

    International Nuclear Information System (INIS)

    Mardaga-Campbell, M.; Watchman, A.; Campbell, J.B.

    2001-01-01

    The mineralogical and geochemical changes in finely laminated rock surface crusts as well as evidence of Aboriginal painting indicate changes in environment and human use of Walkunder Arch rockshelter near Chillagoe. Similar changes within the floor deposits of organic remains and inorganic sediments together with signs of extensive living-floors define episodes of human occupation. Comparisons of the two data sets reveal a broadly consistent pattern, supporing evidence for intermittent occupation and use of the rockshelter over the last 16,000 years from the floors and the last 28,000 years from the rock surface accretions. (author). 22 refs., 5 figs., 2 tabs

  7. Mineral paragenesis on Mars: The roles of reactive surface area and diffusion.

    Science.gov (United States)

    Fairén, Alberto G; Gil-Lozano, Carolina; Uceda, Esther R; Losa-Adams, Elisabeth; Davila, Alfonso F; Gago-Duport, Luis

    2017-09-01

    Geochemical models of secondary mineral precipitation on Mars generally assume semiopen systems (open to the atmosphere but closed at the water-sediment interface) and equilibrium conditions. However, in natural multicomponent systems, the reactive surface area of primary minerals controls the dissolution rate and affects the precipitation sequences of secondary phases, and simultaneously, the transport of dissolved species may occur through the atmosphere-water and water-sediment interfaces. Here we present a suite of geochemical models designed to analyze the formation of secondary minerals in basaltic sediments on Mars, evaluating the role of (i) reactive surface areas and (ii) the transport of ions through a basalt sediment column. We consider fully open conditions, both to the atmosphere and to the sediment, and a kinetic approach for mineral dissolution and precipitation. Our models consider a geochemical scenario constituted by a basin (i.e., a shallow lake) where supersaturation is generated by evaporation/cooling and the starting point is a solution in equilibrium with basaltic sediments. Our results show that cation removal by diffusion, along with the input of atmospheric volatiles and the influence of the reactive surface area of primary minerals, plays a central role in the evolution of the secondary mineral sequences formed. We conclude that precipitation of evaporites finds more restrictions in basaltic sediments of small grain size than in basaltic sediments of greater grain size.

  8. A coupled mass transfer and surface complexation model for uranium (VI) removal from wastewaters

    International Nuclear Information System (INIS)

    Lenhart, J.; Figueroa, L.A.; Honeyman, B.D.

    1994-01-01

    A remediation technique has been developed for removing uranium (VI) from complex contaminated groundwater using flake chitin as a biosorbent in batch and continuous flow configurations. With this system, U(VI) removal efficiency can be predicted using a model that integrates surface complexation models, mass transport limitations and sorption kinetics. This integration allows the reactor model to predict removal efficiencies for complex groundwaters with variable U(VI) concentrations and other constituents. The system has been validated using laboratory-derived kinetic data in batch and CSTR systems to verify the model predictions of U(VI) uptake from simulated contaminated groundwater

  9. Geochemical characteristics of peat from two raised bogs of Germany

    Science.gov (United States)

    Mezhibor, A. M.

    2016-11-01

    Peat has a wide range of applications in different spheres of human activity, and this is a reason for a comprehensive study. This research represents the results of an ICP-MS study of moss and peat samples from two raised bogs of Germany. Because of the wide use of sphagnum moss and peat, determining their geochemical characteristics is an important issue. According to the results obtained, we can resume that the moss samples from Germany are rich in Cu, As, Y, Zr, Nb, and REE. The geochemical composition of the bogs reflects the regional environmental features and anthropogenic influence.

  10. Geochemical reanalysis of historical U.S. Geological Survey sediment samples from the Tonsina area, Valdez Quadrangle, Alaska

    Science.gov (United States)

    Werdon, Melanie B.; Granitto, Matthew; Azain, Jaime S.

    2015-01-01

    The State of Alaska’s Strategic and Critical Minerals (SCM) Assessment project, a State-funded Capital Improvement Project (CIP), is designed to evaluate Alaska’s statewide potential for SCM resources. The SCM Assessment is being implemented by the Alaska Division of Geological & Geophysical Surveys (DGGS), and involves obtaining new airborne-geophysical, geological, and geochemical data. As part of the SCM Assessment, thousands of historical geochemical samples from DGGS, U.S. Geological Survey (USGS), and U.S. Bureau of Mines archives are being reanalyzed by DGGS using modern, quantitative, geochemical-analytical methods. The objective is to update the statewide geochemical database to more clearly identify areas in Alaska with SCM potential. The USGS is also undertaking SCM-related geologic studies in Alaska through the federally funded Alaska Critical Minerals cooperative project. DGGS and USGS share the goal of evaluating Alaska’s strategic and critical minerals potential and together created a Letter of Agreement (signed December 2012) and a supplementary Technical Assistance Agreement (#14CMTAA143458) to facilitate the two agencies’ cooperative work. Under these agreements, DGGS contracted the USGS in Denver to reanalyze historical USGS sediment samples from Alaska. For this report, DGGS funded reanalysis of 128 historical USGS sediment samples from the statewide Alaska Geochemical Database Version 2.0 (AGDB2; Granitto and others, 2013). Samples were chosen from the Tonsina area in the Chugach Mountains, Valdez quadrangle, Alaska (fig. 1). The USGS was responsible for sample retrieval from the National Geochemical Sample Archive (NGSA) in Denver, Colorado through the final quality assurance/quality control (QA/QC) of the geochemical analyses obtained through the USGS contract lab. The new geochemical data are published in this report as a coauthored DGGS report, and will be incorporated into the statewide geochemical databases of both agencies

  11. Post-Eocene volcanics of the Abazar district, Qazvin, Iran: Mineralogical and geochemical evidence for a complex magmatic evolution

    Science.gov (United States)

    Asiabanha, A.; Bardintzeff, J. M.; Kananian, A.; Rahimi, G.

    2012-02-01

    The style of volcanism of post-Eocene volcanism in the Alborz zone of northern Iran is different to that of Eocene volcanism (Karaj Formation). Indeed, the volcanic succession of the Abazar district, located in a narrow volcanic strip within the Alborz magmatic assemblage, is characterized by distinct mineralogical and chemical compositions linked to a complex magmatic evolution. The succession was produced by explosive eruptions followed by effusive eruptions. Two main volcanic events are recognized: (1) a thin rhyolitic ignimbritic sheet underlain by a thicker lithic breccia, and (2) lava flows including shoshonite, latite, and andesite that overlie the first event across a reddish soil horizon. Plagioclase in shoshonite (An 48-92) shows normal zoning, whereas plagioclase in latite and andesite (An 48-75) has a similar composition but shows reverse and oscillatory zoning. QUILF temperature calculations for shoshonites and andesites yield temperatures of 1035 °C and 1029 °C, respectively. The geothermometers proposed by Ridolfi et al. (2010) and Holland and Blundy (1994) yield temperatures of 960 °C and 944 °C for latitic lava, respectively. The samples of volcanic rock show a typical geochemical signature of the continental arc regime, but the andesites clearly differ from the shoshonites, the latites and the rhyolites. The mineralogical and chemical characteristics of these rocks are explained by the following petrogenesis: (1) intrusion of a hot, mantle-depth mafic (shoshonitic) magma, which differentiated in the magma chamber to produce a latitic and then a rhyolitic liquid; (2) rhyolitic ignimbritic eruptions from the top of the magma chamber, following by shoshonitic and then latitic extrusions; (3) magma mingling between the latitic and andesitic magmas, as indicated by the occurrence of andesite clasts within the latite; and (4) andesitic effusions. The youngest volcanic events in the Alborz zone show a close chemical relationship with continental arc

  12. Synthesis in situ of gold nanoparticles by a dialkynyl Fischer carbene complex anchored to glass surfaces

    International Nuclear Information System (INIS)

    Bertolino, María Candelaria; Granados, Alejandro Manuel

    2016-01-01

    Highlights: • Fischer carbene 1-W reacts via cycloaddition without Cu(I) with azide terminal surface. • This reaction on the surface is regioselective to internal triple bond of 1-W. • 1-W bound to glass surface produce AuNps in situ fixed to the surface. • This ability is independent of how 1-W is bonded to the surface. • This hybrid surface can be valuable as SERS substrate or in heterogeneous catalysis. - Abstract: In this work we present a detailed study of classic reactions such as “click reaction” and nucleophilic substitution reaction but on glass solid surface (slides). We used different reactive center of a dialkynylalcoxy Fischer carbene complex of tungsten(0) to be anchored to modified glass surface with amine, to obtain aminocarbene, and azide terminal groups. These cycloaddition reaction showed regioselectivity to internal triple bond of dialkynyl Fischer carbene complex without Cu(I) as catalyst. Anyway the carbene anchored was able to act as a reducing agent to produce in situ very stable gold nanoparticles fixed on surface. We showed the characterization of modified glasses by contact angle measurements and XPS. Synthesized nanoparticles were characterized by SEM, XPS, EDS and UV–vis. The modified glasses showed an important enhancement Raman-SERS. This simple, fast and robust method to create a polifunctional and hybrid surfaces can be valuable in a wide range of applications such as Raman-SERS substrates and other optical fields.

  13. Synthesis in situ of gold nanoparticles by a dialkynyl Fischer carbene complex anchored to glass surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Bertolino, María Candelaria, E-mail: cbertolino@fcq.unc.edu.ar; Granados, Alejandro Manuel, E-mail: ale@fcq.unc.edu.ar

    2016-10-15

    Highlights: • Fischer carbene 1-W reacts via cycloaddition without Cu(I) with azide terminal surface. • This reaction on the surface is regioselective to internal triple bond of 1-W. • 1-W bound to glass surface produce AuNps in situ fixed to the surface. • This ability is independent of how 1-W is bonded to the surface. • This hybrid surface can be valuable as SERS substrate or in heterogeneous catalysis. - Abstract: In this work we present a detailed study of classic reactions such as “click reaction” and nucleophilic substitution reaction but on glass solid surface (slides). We used different reactive center of a dialkynylalcoxy Fischer carbene complex of tungsten(0) to be anchored to modified glass surface with amine, to obtain aminocarbene, and azide terminal groups. These cycloaddition reaction showed regioselectivity to internal triple bond of dialkynyl Fischer carbene complex without Cu(I) as catalyst. Anyway the carbene anchored was able to act as a reducing agent to produce in situ very stable gold nanoparticles fixed on surface. We showed the characterization of modified glasses by contact angle measurements and XPS. Synthesized nanoparticles were characterized by SEM, XPS, EDS and UV–vis. The modified glasses showed an important enhancement Raman-SERS. This simple, fast and robust method to create a polifunctional and hybrid surfaces can be valuable in a wide range of applications such as Raman-SERS substrates and other optical fields.

  14. Concerning initial and secondary character of radionuclide distribution in elementary landscape geochemical systems

    Science.gov (United States)

    Korobova, Elena; Romanov, Sergey

    2017-04-01

    Specificity of radionuclide distribution in elementary landscape geochemical systems (ELGS) treated as local system of geochemically linked elementary terrestrial units (in toposequence: watershed-slope-closing depression), belongs to one of the less investigated but practically significant problems of current geochemistry. First measurements after the Chernobyl accident showed a considerable variation of Cs-137 distribution in all examined ELGS (Shcheglov et al, 2001; Romanov, 1989; Korobova, Korovaykov, 1990; Linnik, 2008). The results may be interpreted in frames of two alternative hypotheses: 1) irregularity of the initial contamination; 2) secondary redistribution of the initially regular level of fallout. But herewith only a disproof of the first hypothesis automatically justifies the second one. Factors responsible for initial irregularity of surface contamination included: 1) the presence of the so-called "hot" particles in the initial fallout; 2) interception of radionuclides by forest canopy; 3) irregular aerial particles deposition; 4) uneven initial precipitation. Basing on monitoring Cs-137 spatial distribution that has been performed since 2005, we demonstrate that the observed spatial irregularity in distribution of Cs-137 in ELGS reflects a purely secondary distribution of initial reserves of radionuclides in fallout matter due to its migration with water in local geochemical systems. This statement has some significant consequences. 1. Mechanism of migration of matter in ELGS is complicated and could not be reduced solely to a primitive moving from watershed to closing depression. 2. The control of migration of "labeled atoms" (Cs-137) permits to understand common mechanism of migration of water in all systems on the level of ELGS. 3. Understanding formation of the structure of contamination zones in ELGS permits to use mathematical model to solve the inverse problem of restoration of the initially equable level of their contamination. Performed

  15. Application of integrated Landsat, geochemical and geophysical data in mineral exploration

    International Nuclear Information System (INIS)

    Conradsen, K.; Nilsson, G.; Thyrsted, T.; Gronlands Geologiske Undersogelse, Copenhagen, Denmark)

    1985-01-01

    In South Greenland (20000 sq. km) a remote sensing investigation is executed in connection with uranium exploration. The investigation includes analysis of Landsat data, conversion of geological, geochemical and geophysical data to image format compatible with Landsat images, and analysis of the total set of integrated data. The available geochemical data consisted of samples from 2000 sites, analyzed for U, K, Rb, Sr, Nb, Ga, Y, and Fe. The geophysical data comprised airborne gamma-spectrometric measurements and aeromagnetic data. The interpolation routines consisted of a kriging procedure for the geochemical data and a minimum curvature routine for the geophysical data. The analysis of the integrated data set is at a preliminary stage. As example a composite image showing Landsat channel 7, magnetic values, and Fe values as respectively intensity, hue and saturation is analyzed. It reveals alkaline intrusions and basaltic layers as anomalies while other anomalies cannot be accounted for on the basis of the present geological knowledge. 12 references

  16. Determining origin of underground water in coal mines by means of natural isotopes and other geochemical parameters

    Energy Technology Data Exchange (ETDEWEB)

    Dolenec, T; Pezdic, J; Herlec, U; Kuscer, D; Mitrevski, G [Institut Josef Stefan, Ljubljana (Yugoslavia)

    1989-07-01

    Presents a preliminary report on origin of water in Slovenian brown coal mines. Water, coal and strata samples from the Hrastnik and Ojstro mines were analyzed for changes in chemical composition. Water samples were also analyzed for changes in isotopic composition and inorganic carbon and sulfur contents. Chemical, isotopic and geochemical techniques are described and results are presented with 21 diagrams. An attempt is made to explain the origin and age of water flowing from mine aquifers into mine rooms, and to explain the interdependence of surface and underground water flow. 10 refs.

  17. Using AFM to probe the complexation of DNA with anionic lipids mediated by Ca(2+): the role of surface pressure.

    Science.gov (United States)

    Luque-Caballero, Germán; Martín-Molina, Alberto; Sánchez-Treviño, Alda Yadira; Rodríguez-Valverde, Miguel A; Cabrerizo-Vílchez, Miguel A; Maldonado-Valderrama, Julia

    2014-04-28

    Complexation of DNA with lipids is currently being developed as an alternative to classical vectors based on viruses. Most of the research to date focuses on cationic lipids owing to their spontaneous complexation with DNA. Nonetheless, recent investigations have revealed that cationic lipids induce a large number of adverse effects on DNA delivery. Precisely, the lower cytotoxicity of anionic lipids accounts for their use as a promising alternative. However, the complexation of DNA with anionic lipids (mediated by cations) is still in early stages and is not yet well understood. In order to explore the molecular mechanisms underlying the complexation of anionic lipids and DNA we proposed a combined methodology based on the surface pressure-area isotherms, Gibbs elasticity and Atomic Force Microscopy (AFM). These techniques allow elucidation of the role of the surface pressure in the complexation and visualization of the interfacial aggregates for the first time. We demonstrate that the DNA complexes with negatively charged model monolayers (DPPC/DPPS 4 : 1) only in the presence of Ca(2+), but is expelled at very high surface pressures. Also, according to the Gibbs elasticity plot, the complexation of lipids and DNA implies a whole fluidisation of the monolayer and a completely different phase transition map in the presence of DNA and Ca(2+). AFM imaging allows identification for the first time of specific morphologies associated with different packing densities. At low surface coverage, a branched net like structure is observed whereas at high surface pressure fibers formed of interfacial aggregates appear. In summary, Ca(2+) mediates the interaction between DNA and negatively charged lipids and also the conformation of the ternary system depends on the surface pressure. Such observations are important new generic features of the interaction between DNA and anionic lipids.

  18. Constraining the Surface Energy Balance of Snow in Complex Terrain

    Science.gov (United States)

    Lapo, Karl E.

    Physically-based snow models form the basis of our understanding of current and future water and energy cycles, especially in mountainous terrain. These models are poorly constrained and widely diverge from each other, demonstrating a poor understanding of the surface energy balance. This research aims to improve our understanding of the surface energy balance in regions of complex terrain by improving our confidence in existing observations and improving our knowledge of remotely sensed irradiances (Chapter 1), critically analyzing the representation of boundary layer physics within land models (Chapter 2), and utilizing relatively novel observations to in the diagnoses of model performance (Chapter 3). This research has improved the understanding of the literal and metaphorical boundary between the atmosphere and land surface. Solar irradiances are difficult to observe in regions of complex terrain, as observations are subject to harsh conditions not found in other environments. Quality control methods were developed to handle these unique conditions. These quality control methods facilitated an analysis of estimated solar irradiances over mountainous environments. Errors in the estimated solar irradiance are caused by misrepresenting the effect of clouds over regions of topography and regularly exceed the range of observational uncertainty (up to 80Wm -2) in all regions examined. Uncertainty in the solar irradiance estimates were especially pronounced when averaging over high-elevation basins, with monthly differences between estimates up to 80Wm-2. These findings can inform the selection of a method for estimating the solar irradiance and suggest several avenues of future research for improving existing methods. Further research probed the relationship between the land surface and atmosphere as it pertains to the stable boundary layers that commonly form over snow-covered surfaces. Stable conditions are difficult to represent, especially for low wind speed

  19. Inner-sphere, outer-sphere and ternary surface complexes: a TRLFS study of the sorption process of europium(III) onto smectite

    International Nuclear Information System (INIS)

    Stumpf, Th.; Fanghaenel, Th.; Bauer, A.; Kim, J.I.

    2002-01-01

    The surface sorption process of Eu(III) onto smectite was investigated by TRLFS in the trace concentration range. With increasing pH the formation of an inner-sphere Eu(III) surface complex was observed. The differences in the spectra and the fluorescence emission lifetimes of the surface sorbed Eu(III) in presence and absence of carbonate indicate the formation of ternary clay/Eu(III)/carbonate complexes /1/. (orig.)

  20. Contemporaneous deposition of phyllosilicates and sulfates: Using Australian acidic saline lake deposits to describe geochemical variability on Mars

    Science.gov (United States)

    Baldridge, A.M.; Hook, S.J.; Crowley, J.K.; Marion, G.M.; Kargel, J.S.; Michalski, J.L.; Thomson, B.J.; de Souza, Filho C.R.; Bridges, N.T.; Brown, A.J.

    2009-01-01

    Studies of the origin of the Martian sulfate and phyllosilicate deposits have led to the hypothesis that there was a marked, global-scale change in the Mars environment from circum-neutral pH aqueous alteration in the Noachian to an acidic evaporitic system in the late Noachian to Hesperian. However, terrestrial studies suggest that two different geochemical systems need not be invoked to explain such geochemical variation.Western Australian acidic playa lakes have large pH differences separated vertically and laterally by only a few tens of meters, demonstrating how highly variable chemistries can coexist over short distances in natural environments. We suggest diverse and variable Martian aqueous environments where the coetaneous formation of phyllosilicates and sulfates at the Australian sites are analogs for regions where phyllosilicates and sulfates coexist on Mars. In these systems, Fe and alkali earth phyllosilicates represent deep facies associated with upwelling neutral to alkaline groundwater, whereas aluminous phyllosilicates and sulfates represent near-surface evaporitic facies formed from more acidic brines. Copyright 2009 by the American Geophysical Union.

  1. Preliminary Geochemical and Rock Magnetic Study of a Stalagmite From Quintana Roo, Northeastern Yucatan Peninsula

    Science.gov (United States)

    Urrutia-Fucugauchi, J.; Perez-Cruz, L.; Zhao, X.; Rebolledo-Vieyra, M.; Rodriguez, A.

    2012-04-01

    We present the preliminary results of geochemical, stable isotopes and rock magnetic studies of a stalagmite from a cave in eastern Quintana Roo, northern Yucatan peninsula. In the past years, there has been increased interest in understanding the paleoclimatic and paleoenvironmental evolution of the Yucatan peninsula and northern Central America, investigating the relationships between climate variations and the development of the Maya civilization. In particular, the variations in regional precipitation and occurrence of several drought periods, which might have been related to the collapse of the Classic Maya period. Stable isotope data on speleothems from different sites in Yucatan and Central America have provided evidence on changes in precipitation, which have affected the Maya region. The stalagmite is ~47 cm long and about 4-5 cm wide at its base. It was collected from the Hilariós Well cave in Tulum, Quintana Roo. Magnetic susceptibility and geochemical analyses have been completed as part of the initial characterization of the stalagmite, with measurements taken every centimeter. Geochemical analyses have been carried out for x-ray fluorescence, with a Niton XRF analyzer. Magnetic susceptibility was determined with a Bartington MS2 instrument using the high resolution surface probe. Additional rock magnetic analyses include magnetic hysteresis loops and isothermal remanent magnetization (IRM) acquisition, and saturation IRM demagnetization, which have been measured with a MicroMag instrument. Hysteresis loops are diamagnetic, with small varying low-coercivity ferromagnetic components. The elemental compositions of major oxides and trace elements vary with depth. Calcium is the major element and displays a pattern of small amplitude fluctuations with a trend to lower values at the bottom, which are also shown in other elements such as barium. Silica and elements such as titanium and strontium are positively correlated and show an apparent cyclic pattern

  2. Guest-Host Complex Formed between Ascorbic Acid and β-Cyclodextrin Immobilized on the Surface of an Electrode

    Directory of Open Access Journals (Sweden)

    María Teresa Ramírez-Silva

    2014-05-01

    Full Text Available This work deals with the formation of supramolecular complexes between ascorbic acid (AA, the guest, and β-cyclodextrin (β-CD, the host, that was first potentiodynamically immobilized on the surface of a carbon paste electrode (CPE throughout the formation of a β-CD-based conducting polymer (poly-β-CD. With the bare CPE and the β-CD-modified CPE, an electrochemical study was performed to understand the effect of such surface modification on the electrochemical response of the AA. From this study it was shown that on the modified-CPE, the AA was surface-immobilized through formation of an inclusion complex with β-CD, which provoked the adsorption of AA in such a way that this stage became the limiting step for the electrochemical oxidation of AA. Moreover, from the analysis of the experimental voltammetric plots recorded during AA oxidation on the CPE/poly-β-CD electrode surfaces, the Gibbs’ standard free energy of the inclusion complex formed by the oxidation product of AA and β-CD has been determined for the first time, ∆G0inclus = −36.4 kJ/mol.

  3. Manual hierarchical clustering of regional geochemical data using a Bayesian finite mixture model

    International Nuclear Information System (INIS)

    Ellefsen, Karl J.; Smith, David B.

    2016-01-01

    Interpretation of regional scale, multivariate geochemical data is aided by a statistical technique called “clustering.” We investigate a particular clustering procedure by applying it to geochemical data collected in the State of Colorado, United States of America. The clustering procedure partitions the field samples for the entire survey area into two clusters. The field samples in each cluster are partitioned again to create two subclusters, and so on. This manual procedure generates a hierarchy of clusters, and the different levels of the hierarchy show geochemical and geological processes occurring at different spatial scales. Although there are many different clustering methods, we use Bayesian finite mixture modeling with two probability distributions, which yields two clusters. The model parameters are estimated with Hamiltonian Monte Carlo sampling of the posterior probability density function, which usually has multiple modes. Each mode has its own set of model parameters; each set is checked to ensure that it is consistent both with the data and with independent geologic knowledge. The set of model parameters that is most consistent with the independent geologic knowledge is selected for detailed interpretation and partitioning of the field samples. - Highlights: • We evaluate a clustering procedure by applying it to geochemical data. • The procedure generates a hierarchy of clusters. • Different levels of the hierarchy show geochemical processes at different spatial scales. • The clustering method is Bayesian finite mixture modeling. • Model parameters are estimated with Hamiltonian Monte Carlo sampling.

  4. Surface complexation modeling of uranyl adsorption on corrensite from the Waste Isolation Pilot Plant Site

    Energy Technology Data Exchange (ETDEWEB)

    Park, Sang-Won; Leckie, J.O. [Stanford Univ., CA (United States); Siegel, M.D. [Sandia National Labs., Albuquerque, NM (United States)

    1995-09-01

    Corrensite is the dominant clay mineral in the Culebra Dolomite at the Waste Isolation Pilot Plant. The surface characteristics of corrensite, a mixed chlorite/smectite clay mineral, have been studied. Zeta potential measurements and titration experiments suggest that the corrensite surface contains a mixture of permanent charge sites on the basal plane and SiOH and AlOH sites with a net pH-dependent charge at the edge of the clay platelets. Triple-layer model parameters were determined by the double extrapolation technique for use in chemical speciation calculations of adsorption reactions using the computer program HYDRAQL. Batch adsorption studies showed that corrensite is an effective adsorbent for uranyl. The pH-dependent adsorption behavior indicates that adsorption occurs at the edge sites. Adsorption studies were also conducted in the presence of competing cations and complexing ligands. The cations did not affect uranyl adsorption in the range studied. This observation lends support to the hypothesis that uranyl adsorption occurs at the edge sites. Uranyl adsorption was significantly hindered by carbonate. It is proposed that the formation of carbonate uranyl complexes inhibits uranyl adsorption and that only the carbonate-free species adsorb to the corrensite surface. The presence of the organic complexing agents EDTA and oxine also inhibits uranyl sorption.

  5. Surface complexation modeling of uranyl adsorption on corrensite from the Waste Isolation Pilot Plant Site

    International Nuclear Information System (INIS)

    Park, Sang-Won; Leckie, J.O.; Siegel, M.D.

    1995-09-01

    Corrensite is the dominant clay mineral in the Culebra Dolomite at the Waste Isolation Pilot Plant. The surface characteristics of corrensite, a mixed chlorite/smectite clay mineral, have been studied. Zeta potential measurements and titration experiments suggest that the corrensite surface contains a mixture of permanent charge sites on the basal plane and SiOH and AlOH sites with a net pH-dependent charge at the edge of the clay platelets. Triple-layer model parameters were determined by the double extrapolation technique for use in chemical speciation calculations of adsorption reactions using the computer program HYDRAQL. Batch adsorption studies showed that corrensite is an effective adsorbent for uranyl. The pH-dependent adsorption behavior indicates that adsorption occurs at the edge sites. Adsorption studies were also conducted in the presence of competing cations and complexing ligands. The cations did not affect uranyl adsorption in the range studied. This observation lends support to the hypothesis that uranyl adsorption occurs at the edge sites. Uranyl adsorption was significantly hindered by carbonate. It is proposed that the formation of carbonate uranyl complexes inhibits uranyl adsorption and that only the carbonate-free species adsorb to the corrensite surface. The presence of the organic complexing agents EDTA and oxine also inhibits uranyl sorption

  6. Basic concepts and formulations for isotope geochemical modelling of groundwater systems

    International Nuclear Information System (INIS)

    Kalin, R.M.

    1996-01-01

    This chapter describes the basic chemical principles and methodologies for geochemical models and their use in the field of isotope hydrology. Examples of calculation procedures are given on actual field data. Summary information on available PC software for geochemical modeling is included. The specific software, NETPATH, which can be used for chemical speciation, mass balance and isotope balance along a flow path in groundwater systems, is discussed at some length with an illustrative example of its application to field data. (author). Refs, 14 figs, 15 tabs

  7. Basic concepts and formulations for isotope geochemical modelling of groundwater systems

    Energy Technology Data Exchange (ETDEWEB)

    Kalin, R M [The Queen` s University, Belfast, Northern Ireland (United Kingdom). Dept. of Civil Engineering

    1996-10-01

    This chapter describes the basic chemical principles and methodologies for geochemical models and their use in the field of isotope hydrology. Examples of calculation procedures are given on actual field data. Summary information on available PC software for geochemical modeling is included. The specific software, NETPATH, which can be used for chemical speciation, mass balance and isotope balance along a flow path in groundwater systems, is discussed at some length with an illustrative example of its application to field data. (author). Refs, 14 figs, 15 tabs.

  8. Structure and reactivity of oxalate surface complexes on lepidocrocite derived from infrared spectroscopy, DFT-calculations, adsorption, dissolution and photochemical experiments

    Science.gov (United States)

    Borowski, Susan C.; Biswakarma, Jagannath; Kang, Kyounglim; Schenkeveld, Walter D. C.; Hering, Janet G.; Kubicki, James D.; Kraemer, Stephan M.; Hug, Stephan J.

    2018-04-01

    Oxalate, together with other ligands, plays an important role in the dissolution of iron(hdyr)oxides and the bio-availability of iron. The formation and properties of oxalate surface complexes on lepidocrocite were studied with a combination of infrared spectroscopy (IR), density functional theory (DFT) calculations, dissolution, and photochemical experiments. IR spectra measured as a function of time, concentration, and pH (50-200 μM oxalate, pH 3-7) showed that several surface complexes are formed at different rates and in different proportions. Measured spectra could be separated into three contributions described by Gaussian line shapes, with frequencies that agreed well with the theoretical frequencies of three different surface complexes: an outer-sphere complex (OS), an inner-sphere monodentate mononuclear complex (MM), and a bidentate mononuclear complex (BM) involving one O atom from each carboxylate group. At pH 6, OS was formed at the highest rate. The contribution of BM increased with decreasing pH. In dissolution experiments, lepidocrocite was dissolved at rates proportional to the surface concentration of BM, rather than to the total adsorbed concentration. Under UV-light (365 nm), BM was photolyzed at a higher rate than MM and OS. Although the comparison of measured spectra with calculated frequencies cannot exclude additional possible structures, the combined results allowed the assignment of three main structures with different reactivities consistent with experiments. The results illustrate the importance of the surface speciation of adsorbed ligands in dissolution and photochemical reactions.

  9. Some methodical questions of study of vertical geochemical zoning of ore deposits

    International Nuclear Information System (INIS)

    Sochevanov, N.N.; Gorelova, E.K.

    1975-01-01

    Taking a hydrothermal uranium deposit as an example, the advisability of dividing ore-localizing structures (for the purpose of making a calculation for a single geochemical zonality) into five zones, a supra-, an upper, a central, a lower and an infra-ore one, has been shown. It is recommended to determine the place of elements in the geochemical zonality sequence by taking into account the productivity of their aureoles and the location of the centre of gravity of their reserves in the ore, supra- and infra-ore horizons. When considering the peculiarities of a zonality, it is irrational to take account of elements determined with an insufficient sensitivity as well as of low-contrast or unstable ones. When calculating tracer ratios the most contrasting data can be obtained by using the most distant elements in the geochemical zonality sequence

  10. Spectroscopic evidence for ternary surface complexes in the lead(II)-malonic acid-hematite system

    Science.gov (United States)

    Lenhart, J.J.; Bargar, J.R.; Davis, J.A.

    2001-01-01

    Using extended X-ray absorption fine structure (EXAFS) and attenuated total reflectance Fourier-transform infrared (ATR-FTIR) measurements, we examined the sorption of Pb(II) to hematite in the presence of malonic acid. Pb LIII-edge EXAFS measurements performed in the presence of malonate indicate the presence of both Fe and C neighbors, suggesting that a major fraction of surface-bound malonate is bonded to adsorbed Pb(II). In the absence of Pb(II), ATR-FTIR measurements of sorbed malonate suggest the formation of more than one malonate surface complex. The dissimilarity of the IR spectrum of malonate sorbed on hematite to those for aqueous malonate suggest at least one of the sorbed malonate species is directly coordinated to surface Fe atoms in an inner-sphere mode. In the presence of Pb, little change is seen in the IR spectrum for sorbed malonate, indicating that geometry of malonate as it coordinates to sorbed Pb(II) adions is similar to the geometry of malonate as it coordinates to Fe in the hematite surface. Fits of the raw EXAFS spectra collected from pH 4 to pH 8 result in average Pb-C distances of 2.98 to 3.14 A??, suggesting the presence of both four- and six-membered Pb-malonate rings. The IR results are consistent with this interpretation. Thus, our results suggest that malonate binds to sorbed Pb(II) adions, forming ternary metal-bridging surface complexes. ?? 2001 Academic Press.

  11. Complexation of lysozyme with adsorbed PtBS-b-SCPI block polyelectrolyte micelles on silver surface.

    Science.gov (United States)

    Papagiannopoulos, Aristeidis; Christoulaki, Anastasia; Spiliopoulos, Nikolaos; Vradis, Alexandros; Toprakcioglu, Chris; Pispas, Stergios

    2015-01-20

    We present a study of the interaction of the positively charged model protein lysozyme with the negatively charged amphiphilic diblock polyelectrolyte micelles of poly(tert-butylstyrene-b-sodium (sulfamate/carboxylate)isoprene) (PtBS-b-SCPI) on the silver/water interface. The adsorption kinetics are monitored by surface plasmon resonance, and the surface morphology is probed by atomic force microscopy. The micellar adsorption is described by stretched-exponential kinetics, and the micellar layer morphology shows that the micelles do not lose their integrity upon adsorption. The complexation of lysozyme with the adsorbed micellar layers depends on the micelles arrangement and density in the underlying layer, and lysozyme follows the local morphology of the underlying roughness. When the micellar adsorbed amount is small, the layers show low capacity in protein complexation and low resistance in loading. When the micellar adsorbed amount is high, the situation is reversed. The adsorbed layers both with or without added protein are found to be irreversibly adsorbed on the Ag surface.

  12. The surface chemistry of divalent metal carbonate minerals; a critical assessment of surface charge and potential data using the charge distribution multi-site ion complexation model

    NARCIS (Netherlands)

    Wolthers, M.; Charlet, L.; Van Cappellen, P.

    2008-01-01

    The Charge Distribution MUltiSite Ion Complexation or CD–MUSIC modeling approach is used to describe the chemical structure of carbonate mineralaqueous solution interfaces. The new model extends existing surface complexation models of carbonate minerals, by including atomic scale information on

  13. The effect of scale on the interpretation of geochemical anomalies

    Science.gov (United States)

    Theobald, P.K.; Eppinger, R.G.; Turner, R.L.; Shiquan, S.

    1991-01-01

    The purpose of geochemical surveys changes with scale. Regional surveys identify areas where mineral deposits are most likely to occur, whereas intermediate surveys identify and prioritize specific targets. At detailed scales specific deposit models may be applied and deposits delineated. The interpretation of regional geochemical surveys must take into account scale-dependent difference in the nature and objectives of this type of survey. Overinterpretation of regional data should be resisted, as should recommendations to restrict intermediate or detailed follow-up surveys to the search for specific deposit types or to a too limited suite of elements. Regional surveys identify metallogenic provinces within which a variety of deposit types and metals are most likely to be found. At intermediate scale, these regional provinces often dissipate into discrete clusters of anomalous areas. At detailed scale, individual anomalous areas reflect local conditions of mineralization and may seem unrelated to each other. Four examples from arid environments illustrate the dramatic change in patterns of anomalies between regional and more detailed surveys. On the Arabian Shield, a broad regional anomaly reflects the distribution of highly differentiated anorogenic granites. A particularly prominent part of the regional anomaly includes, in addition to the usual elements related to the granites, the assemblage of Mo, W and Sn. Initial interpretation suggested potential for granite-related, stockwork Mo deposits. Detailed work identified three separate sources for the anomaly: a metal-rich granite, a silicified and stockwork-veined area with scheelite and molybdenite, and scheelite/powellite concentrations in skarn deposits adjacent to a ring-dike complex. Regional geochemical, geophysical and remote-sensing data in the Sonoran Desert, Mexico, define a series of linear features interpreted to reflect fundamental, northeast-trending fractures in the crust that served as the prime

  14. Adaptive Surface Modeling of Soil Properties in Complex Landforms

    Directory of Open Access Journals (Sweden)

    Wei Liu

    2017-06-01

    Full Text Available Abstract: Spatial discontinuity often causes poor accuracy when a single model is used for the surface modeling of soil properties in complex geomorphic areas. Here we present a method for adaptive surface modeling of combined secondary variables to improve prediction accuracy during the interpolation of soil properties (ASM-SP. Using various secondary variables and multiple base interpolation models, ASM-SP was used to interpolate soil K+ in a typical complex geomorphic area (Qinghai Lake Basin, China. Five methods, including inverse distance weighting (IDW, ordinary kriging (OK, and OK combined with different secondary variables (e.g., OK-Landuse, OK-Geology, and OK-Soil, were used to validate the proposed method. The mean error (ME, mean absolute error (MAE, root mean square error (RMSE, mean relative error (MRE, and accuracy (AC were used as evaluation indicators. Results showed that: (1 The OK interpolation result is spatially smooth and has a weak bull's-eye effect, and the IDW has a stronger ‘bull’s-eye’ effect, relatively. They both have obvious deficiencies in depicting spatial variability of soil K+. (2 The methods incorporating combinations of different secondary variables (e.g., ASM-SP, OK-Landuse, OK-Geology, and OK-Soil were associated with lower estimation bias. Compared with IDW, OK, OK-Landuse, OK-Geology, and OK-Soil, the accuracy of ASM-SP increased by 13.63%, 10.85%, 9.98%, 8.32%, and 7.66%, respectively. Furthermore, ASM-SP was more stable, with lower MEs, MAEs, RMSEs, and MREs. (3 ASM-SP presents more details than others in the abrupt boundary, which can render the result consistent with the true secondary variables. In conclusion, ASM-SP can not only consider the nonlinear relationship between secondary variables and soil properties, but can also adaptively combine the advantages of multiple models, which contributes to making the spatial interpolation of soil K+ more reasonable.

  15. Distribution of radioactive anomalies at Morro do Ferro hill in Pocos de Caldas Alkaline Complex, MG

    International Nuclear Information System (INIS)

    Fujimori, K.

    1980-10-01

    Sistematic radiation intensity measurements were alone at Morro do Ferro hill in the Pocos de Caldas Alkaline Complex, using portable Scintrex spectrometer for U, Th, K and total counting (TC). Complementary geochemical analyses were alone on selected 26 samples. It was observed that there are many radiation focii in that place and they are oriented in the E-W direction. The geochemical analyses show that Uranium has participated also in the inicial mineralization of radioactive elements. The contribution of 238 U series daugher elements is relatively strong although Uranium was 'washed' by leaching. (Author) [pt

  16. Geochemical Interaction of Middle Bakken Reservoir Rock and CO2 during CO2-Based Fracturing

    Science.gov (United States)

    Nicot, J. P.; Lu, J.; Mickler, P. J.; Ribeiro, L. H.; Darvari, R.

    2015-12-01

    This study was conducted to investigate the effects of geochemical interactions when CO2 is used to create the fractures necessary to produce hydrocarbons from low-permeability Middle Bakken sandstone. The primary objectives are to: (1) identify and understand the geochemical reactions related to CO2-based fracturing, and (2) assess potential changes of reservoir property. Three autoclave experiments were conducted at reservoir conditions exposing middle Bakken core fragments to supercritical CO2 (sc-CO2) only and to CO2-saturated synthetic brine. Ion-milled core samples were examined before and after the reaction experiments using scanning electron microscope, which enabled us to image the reaction surface in extreme details and unambiguously identify mineral dissolution and precipitation. The most significant changes in the reacted rock samples exposed to the CO2-saturated brine is dissolution of the carbonate minerals, particularly calcite which displays severely corrosion. Dolomite grains were corroded to a lesser degree. Quartz and feldspars remained intact and some pyrite framboids underwent slight dissolution. Additionally, small amount of calcite precipitation took place as indicated by numerous small calcite crystals formed at the reaction surface and in the pores. The aqueous solution composition changes confirm these petrographic observations with increase in Ca and Mg and associated minor elements and very slight increase in Fe and sulfate. When exposed to sc-CO2 only, changes observed include etching of calcite grain surface and precipitation of salt crystals (halite and anhydrite) due to evaporation of residual pore water into the sc-CO2 phase. Dolomite and feldspars remained intact and pyrite grains were slightly altered. Mercury intrusion capillary pressure tests on reacted and unreacted samples shows an increase in porosity when an aqueous phase is present but no overall porosity change caused by sc-CO2. It also suggests an increase in permeability

  17. ENSO and interdecadal climate variability over the last century documented by geochemical records of two coral cores from the South West Pacific

    Directory of Open Access Journals (Sweden)

    T. Ourbak

    2006-01-01

    Full Text Available The south west Pacific is affected by climatic phenomena such as ENSO (El Niño Southern Oscillation or the PDO (Pacific Decadal Oscillation. Near-monthly resolution calibrations of Sr/Ca, U/Ca and δ18Oc were made on corals taken from New Caledonia and Wallis Island. These geochemical variations could be linked to SST (sea surface temperature and SSS (sea surface salinity variations over the last two decades, itselves dependent on ENSO occurrences. On the other hand, near-half-yearly resolution over the last century smoothes seasonal and interannual climate signals, but emphasizes low frequency climate variability.

  18. Surface Complexation Modeling in Variable Charge Soils: Prediction of Cadmium Adsorption

    Directory of Open Access Journals (Sweden)

    Giuliano Marchi

    2015-10-01

    Full Text Available ABSTRACT Intrinsic equilibrium constants for 22 representative Brazilian Oxisols were estimated from a cadmium adsorption experiment. Equilibrium constants were fitted to two surface complexation models: diffuse layer and constant capacitance. Intrinsic equilibrium constants were optimized by FITEQL and by hand calculation using Visual MINTEQ in sweep mode, and Excel spreadsheets. Data from both models were incorporated into Visual MINTEQ. Constants estimated by FITEQL and incorporated in Visual MINTEQ software failed to predict observed data accurately. However, FITEQL raw output data rendered good results when predicted values were directly compared with observed values, instead of incorporating the estimated constants into Visual MINTEQ. Intrinsic equilibrium constants optimized by hand calculation and incorporated in Visual MINTEQ reliably predicted Cd adsorption reactions on soil surfaces under changing environmental conditions.

  19. Geochemical and hydrodynamic controls on arsenic and trace metal cycling in a seasonally stratified US sub-tropical reservoir

    International Nuclear Information System (INIS)

    Brandenberger, Jill M.; Louchouarn, Patrick; Herbert, Bruce; Tissot, Philippe

    2004-01-01

    The phase distribution of trace metals and oxyanions was investigated within a South Texas watershed hosting a high density of surface uranium mine pits and tailings. The objectives of the study were to evaluate the potential impact of these old uranium mining sites on the watershed with particular emphasis on spatial and temporal changes in water quality of a reservoir that serves as the major source of freshwater to a population of ∼ 350,000 people in the region. A livestock pond, bordered by uranium mine tailings, was used as a model case-study site to evaluate the cycling of uranium mine-derived oxyanions under changing redox conditions. Although the pond showed seasonal thermal and chemical stratification, geochemical cycling of metals was limited to Co and Pb, which seemed to be mostly associated with redox cycling of Mn mineral phases, and U, which suggested reductive precipitation in the ponds hypolimnion. Uranium levels, however, were too low to support strong inputs from th e tailings into the water column of the pond. The strong relations observed between particulate Cr, Cs, V and Fe suggest that these metals are associated with a stable particulate phase (probably allochthonous aluminosilicates) enriched in unreactive iron. This observation is supported by a parallel relationship in sediments collected across a broad range of sediment depositional processed (and histories) in the basin. Arsenic, though selectively enriched in the ponds water column, remained stable and mostly in solution throughout the depth of the profile and showed no sign of geochemical cycling or interaction with Fe-rich particles. We found no evidence of anthropogenic impacts of U mines beyond the purely local scale. Arsenic does decrease in concentration downstream of uranium mining sites but its presence within the Nueces drainage basin is related to interactions between surface and ground waters with uranium-rich geological formations rather than long-scale transport of

  20. Geochemical characterization of the siliciclastic rocks of Chitravati ...

    Indian Academy of Sciences (India)

    V Somasekhar

    2018-05-23

    May 23, 2018 ... Chitravati Group of Cuddapah Supergroup to decipher the provenance and depositional environment. Both the units ... Based on major element geochemical classification diagram, Pulivendla Quartzite .... The youngest age limit of the Nallamalai ...... eastern Oregon and western Idaho, USA: Implications for.

  1. Uruguay Mining inventory. Florida fotoplano geochemical prospecting results

    International Nuclear Information System (INIS)

    Zeegers, H.; Artignan, D.; Vairon, P.

    1982-01-01

    This work is about the geochemical prospecting carried out in Florida fotoplano within the framework of Uruguay Mining inventory. In this work were covered 660 km2 obtaining 752 samples for study which were analyzed by Plasma Emission Spectrometry in Orleans BRGM laboratories

  2. Linking microbial diversity and functionality of arctic glacial surface habitats.

    Science.gov (United States)

    Lutz, Stefanie; Anesio, Alexandre M; Edwards, Arwyn; Benning, Liane G

    2017-02-01

    Distinct microbial habitats on glacial surfaces are dominated by snow and ice algae, which are the critical players and the dominant primary colonisers and net producers during the melt season. Here for the first time we have evaluated the role of these algae in association with the full microbial community composition (i.e., algae, bacteria, archaea) in distinct surface habitats and on 12 glaciers and permanent snow fields in Svalbard and Arctic Sweden. We cross-correlated these data with the analyses of specific metabolites such as fatty acids and pigments, and a full suite of potential critical physico-chemical parameters including major and minor nutrients, and trace metals. It has been shown that correlations between single algal species, metabolites, and specific geochemical parameters can be used to unravel mixed metabolic signals in complex communities, further assign them to single species and infer their functionality. The data also clearly show that the production of metabolites in snow and ice algae is driven mainly by nitrogen and less so by phosphorus limitation. This is especially important for the synthesis of secondary carotenoids, which cause a darkening of glacial surfaces leading to a decrease in surface albedo and eventually higher melting rates. © 2016 The Authors. Environmental Microbiology published by Society for Applied Microbiology and John Wiley & Sons Ltd.

  3. Uruguay mining Inventory: Geochemical prospecting results of Valentines mapping

    International Nuclear Information System (INIS)

    Spangenberg, J.; Filippini, J.

    1985-01-01

    This work is about geochemical prospecting carried out into the Uruguay mining inventory framework. In this case the survey was in Valentines mapping. Florida, Durazno and Treinta y Tres provinces of Uruguay .

  4. Engineering yeast consortia for surface-display of complex cellulosome structures

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Wilfred [University of Delaware

    2014-03-31

    As our society marches toward a more technologically advanced future, energy and environmental sustainability are some of the most challenging problems we face today. Biomass is one of the most abundant renewable-feedstock for sustainable production of biofuels. However, the main technological obstacle to more widespread uses of this resource is the lack of low-cost technologies to overcome the recalcitrant nature of the cellulosic structure, especially the hydrolysis step on highly ordered celluloses. In this proposal, we successfully engineered several efficient and inexpensive whole-cell biocatalysts in an effort to produce economically compatible and sustainable biofuels, namely cellulosic ethanol. Our approach was to display of a highly efficient cellulolytic enzyme complex, named cellulosome, on the surface of a historical ethanol producer Saccharomyces cerevisiae for the simultaneous and synergistic saccharification and fermentation of cellulose to ethanol. We first demonstrated the feasibility of assembling a mini-cellulosome by incubating E. coli lysates expressing three different cellulases. Resting cells displaying mini-cellulosomes produced 4-fold more ethanol from phosphoric acid-swollen cellulose (PASC) than cultures with only added enzymes. The flexibility to assemble the mini-cellulosome structure was further demonstrated using a synthetic yeast consortium through intracellular complementation. Direct ethanol production from PASC was demonstrated with resting cell cultures. To create a microorganism suitable for a more cost-effective process, called consolidated bioprocessing (CBP), a synthetic consortium capable of displaying mini-cellulosomes on the cell surface via intercellular complementation was created. To further improve the efficiency, a new adaptive strategy of employing anchoring and adaptor scaffoldins to amplify the number of enzymatic subunits was developed, resulting in the creation of an artificial tetravalent cellulosome on the

  5. Analysis on geochemical conditions of uranium mineralization in Bashibulake uranium deposit, Xinjiang

    International Nuclear Information System (INIS)

    Liu Zhangyue; Dong Wenming; Cai Genqing; Liu Hongxu; Deng Huabo

    2011-01-01

    By studying the palaeoclimate and metallogenesis related geochemical indexes, this paper proposes that the hosting rocks should form in geochemical oxidation setting under arid palaeoclimate. The study on element assemblage associated with uranium mineralization indicates that the target hosting rocks suffered from different degrees of reworking of reducing fluid at first and then being superimposed by supergene oxidative fluid at tectonic uplifting stage. The uranium mineralization is located in reworked and superimposed places of two types of fluid. (authors)

  6. Application of Ground Penetrating Radar Supported by Mineralogical-Geochemical Methods for Mapping Unroofed Cave Sediments

    Directory of Open Access Journals (Sweden)

    Teja Čeru

    2018-04-01

    Full Text Available Ground penetrating radar (GPR using a special unshielded 50 MHz Rough Terrain Antenna (RTA in combination with a shielded 250 MHz antenna was used to study the capability of this geophysical method for detecting cave sediments. Allochthonous cave sediments found in the study area of Lanski vrh (W Slovenia are now exposed on the karst surface in the so-called “unroofed caves” due to a general lowering of the surface (denudation of carbonate rocks and can provide valuable evidence of the karst development. In the first phase, GPR profiles were measured at three test locations, where cave sediments are clearly evident on the surface and appear with flowstone. It turned out that cave sediments are clearly visible on GPR radargrams as areas of strong signal attenuation. Based on this finding, GPR profiling was used in several other places where direct indicators of unroofed caves or other indicators for speleogenesis are not present due to strong surface reshaping. The influence of various field conditions, especially water content, on GPR measurements was also analysed by comparing radargrams measured in various field conditions. Further mineralogical-geochemical analyses were conducted to better understand the factors that influence the attenuation in the area of cave sediments. Samples of cave sediments and soils on carbonate rocks (rendzina were taken for X-ray diffraction (XRD and X-ray fluorescence (XRF analyses to compare the mineral and geochemical compositions of both sediments. Results show that cave sediments contain higher amounts of clay minerals and iron/aluminium oxides/hydroxides which, in addition to the thickness of cave sediments, can play an important role in the depth of penetration. Differences in the mineral composition also lead to water retention in cave sediments even through dry periods which additionally contribute to increased attenuation with respect to surrounding soils. The GPR method has proven to be reliable for

  7. Study on long-term stability of geochemical environments at deep underground

    International Nuclear Information System (INIS)

    Mizuno, Takashi; Iwatsuki, Teruki

    2005-01-01

    Observation and fluid inclusion analysis of fracture filling calcites in granite at the Tono area were conducted to assess long-term stability of geochemical environment at deep underground. The result of observation using SEM and luminoscope shows that precipitation processes of calcite can be divided into four phases (1 to 4) based on their occurrence. (1) Phase 1: indistinct morphology and includes the wall rock fragments. (2) Phase 2: rhombohedral and hexagonal form. (3) Phase 3: elongate rhombohedral form, growth over the layer of phase 2 calcite. (4) Phase 4: small rhombohedral form crystals growth from surface of phase 3 calcite. On Phase 1 calcite, it seems to be hydrothermal origin related to fracture activation. Previous study shows the correlation between the salinity of fluid from which calcite precipitated and morphology of calcite. According to previous studies, the groundwater from which phase 3 calcite precipitated would be the highest salinity such as seawater. Phase 2 and 4 calcite may be precipitated from groundwater with low salinity. On the other hand, fluid inclusions were recognized in phase 2 and 3 calcite. All inclusions indicated mono-phase (liquid phase). These suggest that phase 2 and 3 calcites were precipitated in low-temperature condition. Result of salinity analysis indicates that two groundwaters having different chemical properties had existed during phase 2 and 3 calcite precipitation. Based on these results, geochemical environment had changed by input of high salinity groundwater during Phase 2 and 3 calcite precipitation. It is required to identify the origin of each groundwater in consideration of historical geology for further understanding of long-term hydrochemical condition. (author)

  8. Effects of humic substances on the migration of radionuclides: Complexation of actinides with humic substances. 1. progress report

    International Nuclear Information System (INIS)

    Kim, J.I.; Buckau, G.; Klenze, R.; Rhee, D.S.; Wimmer, H.; Decambox, P.; Mauchien, P.; Moulin, C.; Moulin, V.; Tits, J.; Marquardt, C.; Riegel, J.; Sattelberger, P.; Herrmann, G.; Trautmann, N.; Diercks, A.; Vancluysen, J.; Maes, A.; Bidoglio, G.; Righetto, L.

    1992-02-01

    The aim of the present research programme is to study the complexation behaviour of actinide ions with humic substances in natural aquifer systems and hence to quantify the effect of humic substances on the actinide migration. Aquatic humic substances commonly found in all groundwaters in different concentrations have a strong tendency towards complexation with actinide ions. This is one of the major geochemical reactions but hitherto least quantified. Therefore, the effect of humic substances on the actinide migration is poorly understood. In the present research programme the complexation of actinide ions with humic substances will be described thermodynamically. This description will be based on a model being as simple as possible to allow an easy introduction of the resulting constants into geochemical modelling of the actinide migration. This programme is a continuation of the activities of the COCO group in the second phase of the CEC-MIRAGE project. (orig.)

  9. Riemann surfaces of complex classical trajectories and tunnelling splitting in one-dimensional systems

    Science.gov (United States)

    Harada, Hiromitsu; Mouchet, Amaury; Shudo, Akira

    2017-10-01

    The topology of complex classical paths is investigated to discuss quantum tunnelling splittings in one-dimensional systems. Here the Hamiltonian is assumed to be given as polynomial functions, so the fundamental group for the Riemann surface provides complete information on the topology of complex paths, which allows us to enumerate all the possible candidates contributing to the semiclassical sum formula for tunnelling splittings. This naturally leads to action relations among classically disjoined regions, revealing entirely non-local nature in the quantization condition. The importance of the proper treatment of Stokes phenomena is also discussed in Hamiltonians in the normal form.

  10. Final Technical Report: Metal—Organic Surface Catalyst for Low-temperature Methane Oxidation: Bi-functional Union of Metal—Organic Complex and Chemically Complementary Surface

    Energy Technology Data Exchange (ETDEWEB)

    Tait, Steven L. [Indiana Univ., Bloomington, IN (United States)

    2016-10-01

    Stabilization and chemical control of transition metal centers is a critical problem in the advancement of heterogeneous catalysts to next-generation catalysts that exhibit high levels of selectivity, while maintaining strong activity and facile catalyst recycling. Supported metal nanoparticle catalysts typically suffer from having a wide range of metal sites with different coordination numbers and varying chemistry. This project is exploring new possibilities in catalysis by combining features of homogeneous catalysts with those of heterogeneous catalysts to develop new, bi-functional systems. The systems are more complex than traditional heterogeneous catalysts in that they utilize sequential active sites to accomplish the desired overall reaction. The interaction of metal—organic catalysts with surface supports and their interactions with reactants to enable the catalysis of critical reactions at lower temperatures are at the focus of this study. Our work targets key fundamental chemistry problems. How do the metal—organic complexes interact with the surface? Can those metal center sites be tuned for selectivity and activity as they are in the homogeneous system by ligand design? What steps are necessary to enable a cooperative chemistry to occur and open opportunities for bi-functional catalyst systems? Study of these systems will develop the concept of bringing together the advantages of heterogeneous catalysis with those of homogeneous catalysis, and take this a step further by pursuing the objective of a bi-functional system. The use of metal-organic complexes in surface catalysts is therefore of interest to create well-defined and highly regular single-site centers. While these are not likely to be stable in the high temperature environments (> 300 °C) typical of industrial heterogeneous catalysts, they could be applied in moderate temperature reactions (100-300 °C), made feasible by lowering reaction temperatures by better catalyst control. They also

  11. Comparison of thermodynamic databases used in geochemical modelling

    International Nuclear Information System (INIS)

    Chandratillake, M.R.; Newton, G.W.A.; Robinson, V.J.

    1988-05-01

    Four thermodynamic databases used by European groups for geochemical modelling have been compared. Thermodynamic data for both aqueous species and solid species have been listed. When the values are directly comparable any differences between them have been highlighted at two levels of significance. (author)

  12. Uruguay Mining inventory. Minas fotoplano geochemical prospecting results

    International Nuclear Information System (INIS)

    Zeegers, H.; Artignan, D.; Vairon, P.

    1982-01-01

    This work is about the geochemical prospecting carried out in Minas fotoplano within the framework of Uruguay Mining inventory. In this work were covered 380 km2 obtaining with 433 samples for study which were analized by Plasma Emission Spectrometry in Orleans BRGM laboratories

  13. Neutron activation analysis of geochemical samples

    International Nuclear Information System (INIS)

    Rosenberg, R.; Zilliacus, R.; Kaistila, M.

    1983-06-01

    The present paper will describe the work done at the Technical Research Centre of Finland in developing methods for the large-scale activation analysis of samples for the geochemical prospecting of metals. The geochemical prospecting for uranium started in Finland in 1974 and consequently a manually operated device for the delayed neutron activation analysis of uranium was taken into use. During 1974 9000 samples were analyzed. The small capacity of the analyzer made it necessary to develop a completely automated analyzer which was taken into use in August 1975. Since then 20000-30000 samples have been analyzed annually the annual capacity being about 60000 samples when running seven hours per day. Multielemental instrumental neutron activation analysis is used for the analysis of more than 40 elements. Using instrumental epithermal neutron activation analysis 25-27 elements can be analyzed using one irradiation and 20 min measurement. During 1982 12000 samples were analyzed for mining companies and Geological Survey of Finland. The capacity is 600 samples per week. Besides these two analytical methods the analysis of lanthanoids is an important part of the work. 11 lanthanoids have been analyzed using instrumental neutron activation analysis. Radiochemical separation methods have been developed for several elements to improve the sensitivity of the analysis

  14. Noncontact Surface Roughness Estimation Using 2D Complex Wavelet Enhanced ResNet for Intelligent Evaluation of Milled Metal Surface Quality

    Directory of Open Access Journals (Sweden)

    Weifang Sun

    2018-03-01

    Full Text Available Machined surfaces are rough from a microscopic perspective no matter how finely they are finished. Surface roughness is an important factor to consider during production quality control. Using modern techniques, surface roughness measurements are beneficial for improving machining quality. With optical imaging of machined surfaces as input, a convolutional neural network (CNN can be utilized as an effective way to characterize hierarchical features without prior knowledge. In this paper, a novel method based on CNN is proposed for making intelligent surface roughness identifications. The technical scheme incorporates there elements: texture skew correction, image filtering, and intelligent neural network learning. Firstly, a texture skew correction algorithm, based on an improved Sobel operator and Hough transform, is applied such that surface texture directions can be adjusted. Secondly, two-dimensional (2D dual tree complex wavelet transform (DTCWT is employed to retrieve surface topology information, which is more effective for feature classifications. In addition, residual network (ResNet is utilized to ensure automatic recognition of the filtered texture features. The proposed method has verified its feasibility as well as its effectiveness in actual surface roughness estimation experiments using the material of spheroidal graphite cast iron 500-7 in an agricultural machinery manufacturing company. Testing results demonstrate the proposed method has achieved high-precision surface roughness estimation.

  15. Reactivity of the calcite–water-interface, from molecular scale processes to geochemical engineering

    International Nuclear Information System (INIS)

    Heberling, Frank; Bosbach, Dirk; Eckhardt, Jörg-Detlef; Fischer, Uwe; Glowacky, Jens; Haist, Michael; Kramar, Utz; Loos, Steffen; Müller, Harald S.; Neumann, Thomas; Pust, Christopher; Schäfer, Thorsten; Stelling, Jan

    2014-01-01

    Highlights: • The current state of some aspects of calcite–water-interface chemistry is reviewed. • The interface structure is characterized at a molecular scale. • Experimental and theoretical studies on contaminant sorption at calcite are presented. • The influence of phosphonates on calcite growth is investigated. • The effect of limestone on the workability of cement suspensions is addressed. - Abstract: Surface reactions on calcite play an important role in geochemical and environmental systems, as well as many areas of industry. In this review, we present investigations of calcite that were performed in the frame of the joint research project “RECAWA” (reactivity of calcite–water-interfaces: molecular process understanding for technical applications). As indicated by the project title, work within the project comprised a large range of length scales. The molecular scale structure of the calcite (1 0 4)–water-interface is refined based on surface diffraction data. Structural details are related to surface charging phenomena, and a simplified basic stern surface complexation model is proposed. As an example for trace metal interactions with calcite surfaces we review and present new spectroscopic and macroscopic experimental results on Selenium interactions with calcite. Results demonstrate that selenate (SeO 4 2− ) shows no significant interaction with calcite at our experimental conditions, while selenite (SeO 3 2− ) adsorbs at the calcite surface and can be incorporated into the calcite structure. Atomistic calculations are used to assess the thermodynamics of sulfate (SO 4 2− ), selenate (SeO 4 2− ), and selenite (SeO 3 2− ) partitioning in calcite and aragonite. The results show that incorporation of these oxo-anions into the calcite structure is so highly endothermic that incorporation is practically impossible at bulk equilibrium and standard conditions. This indicates that entrapment processes are involved when

  16. Incorporating classic adsorption isotherms into modern surface complexation models: implications for sorption of radionuclides

    International Nuclear Information System (INIS)

    Kulik, D.A.

    2005-01-01

    Full text of publication follows: Computer-aided surface complexation models (SCM) tend to replace the classic adsorption isotherm (AI) analysis in describing mineral-water interface reactions such as radionuclide sorption onto (hydr) oxides and clays. Any site-binding SCM based on the mole balance of surface sites, in fact, reproduces the (competitive) Langmuir isotherm, optionally amended with electrostatic Coulomb's non-ideal term. In most SCM implementations, it is difficult to incorporate real-surface phenomena (site heterogeneity, lateral interactions, surface condensation) described in classic AI approaches other than Langmuir's. Thermodynamic relations between SCMs and AIs that remained obscure in the past have been recently clarified using new definitions of standard and reference states of surface species [1,2]. On this basis, a method for separating the Langmuir AI into ideal (linear) and non-ideal parts [2] was applied to multi-dentate Langmuir, Frumkin, and BET isotherms. The aim of this work was to obtain the surface activity coefficient terms that make the SCM site mole balance constraints obsolete and, in this way, extend thermodynamic SCMs to cover sorption phenomena described by the respective AIs. The multi-dentate Langmuir term accounts for the site saturation with n-dentate surface species, as illustrated on modeling bi-dentate U VI complexes on goethite or SiO 2 surfaces. The Frumkin term corrects for the lateral interactions of the mono-dentate surface species; in particular, it has the same form as the Coulombic term of the constant-capacitance EDL combined with the Langmuir term. The BET term (three parameters) accounts for more than a monolayer adsorption up to the surface condensation; it can potentially describe the surface precipitation of nickel and other cations on hydroxides and clay minerals. All three non-ideal terms (in GEM SCMs implementation [1,2]) by now are used for non-competing surface species only. Upon 'surface dilution

  17. Geochemical modelling of water-rock interactions at the Osamu Utsumi mine and Morro do Ferro analogue study sites, Pocos de Caldas, Brazil

    International Nuclear Information System (INIS)

    Nordstrom, D.K.; Puigdomenech, I.; McNutt, R.H.

    1990-01-01

    Geochemical processes involving water-rock interactions have been modelled using groundwater composition, mineralogical data, ion plots and computations of speciation, non-thermodynamic mass balance and thermodynamic mass transfer for two natural analogue sites near Pocos de Caldas, Brazil: the Osamu Utsumi mine and Morro do Ferro. The main rock type is an alkaline igneous complex composed of volcanic and sub-volcanic phonolites that have been hydrothermally altered and highly weathered. This altered rock mass grades from a laterite at the surface to a saprolite and finally to unweathered, hydrothermally altered bedrock at depth. The mine site contains high concentrations of uranium and Morro do Ferro contains high concentrations of thorium and rare-earths. The reaction models can reproduce the water chemistry and mineral occurences and they were validated by predicting the masses of minerals precipitated and the pH of the final water. The model computations can also reproduce the pH and iron concentrations of the water samples during CO 2 degassing and iron(II) oxidation from exposure to air. The results from the geochemical reaction models reveal that the dominant processes are production of CO 2 in the soil zone through aerobic decay of organic matter, dissolution of fluorite, calcite, K-feldspar, albite and manganese oxides, oxidation of pyrite and sphalerite and precipitation of ferric oxides, silica and kaolinite. Recharge waters are undersaturated with respect to barite and discharging waters and deeper groundwaters are saturated to supersaturated with respect to barite, demonstrating a strong equilibrium solubility control. Strontium isotope data demonstrate that sources other than calcium-bearing minerals are required to account for the dissolved strontium in the ground. These may include K-feldspar, smectite-chlorite mixed-layer clays and goyazite. (author) 24 figs., 4 tabs., 18 refs

  18. A Mesozoic orogenic cycle from post-collision to subduction in the southwestern Korean Peninsula: New structural, geochemical, and chronological evidence

    Science.gov (United States)

    Park, Seung-Ik; Kwon, Sanghoon; Kim, Sung Won; Hong, Paul S.; Santosh, M.

    2018-05-01

    The Early to Middle Mesozoic basins, distributed sporadically over the Korean Peninsula, preserve important records of the tectonic history of some of the major orogenic belts in East Asia. Here we present a comprehensive study of the structural, geochemical, geochronological, and paleontological features of a volcano-sedimentary package, belonging to the Oseosan Volcanic Complex of the Early to Middle Mesozoic Chungnam Basin, within the Mesozoic subduction-collision orogen in the southwestern Korean Peninsula. The zircon U-Pb data from rhyolitic volcanic rocks of the complex suggest Early to Middle Jurassic emplacement age of ca. 178-172 Ma, harmonious with plant fossil taxa found from the overlying tuffaceous sedimentary rock. The geochemical data for the rhyolitic volcanic rocks are indicative of volcanic arc setting, implying that the Chungnam Basin has experienced an intra-arc subsidence during the basin-expanding stage by subduction of the Paleo-Pacific (Izanagi) Plate. The Jurassic arc-related Oseosan Volcanic Complex was structurally stacked by the older Late Triassic to Early Jurassic post-collisional basin-fill of the Nampo Group by the Jangsan fault during basin inversion. The Late Jurassic to Early Cretaceous K-feldspar and illite K-Ar ages marked the timing of inversion tectonics, contemporaneous with the magmatic quiescence in the southern Korean Peninsula, likely due to flat-lying or low-angle subduction. The basin evolution history preserved in the Mesozoic Chungnam Basin reflects a Mesozoic orogenic cycle from post-collision to subduction in the southwestern Korean Peninsula. This, in turn, provides a better understanding of the spatial and temporal changes in Mesozoic tectonic environments along the East Asian continental margin.

  19. Baseline geochemical data for stream sediment and surface water samples from Panther Creek, the Middle Fork of the Salmon River, and the Main Salmon River from North Fork to Corn Creek, collected prior to the severe wildfires of 2000 in central Idaho

    Science.gov (United States)

    Eppinger, Robert G.; Briggs, Paul H.; Brown, Zoe Ann; Crock, James G.; Meier, Allen; Theodorakos, Peter M.; Wilson, Stephen A.

    2001-01-01

    In 1996, the U.S. Geological Survey conducted a reconnaissance baseline geochemical study in central Idaho. The purpose of the baseline study was to establish a 'geochemical snapshot' of the area, as a datum for monitoring future change in the geochemical landscape, whether natural or human-induced. This report presents the methology, analytical results, and sample descriptions for water, sediment, and heavy-mineral concentrate samples collected during this geochemical investigation. In the summer of 2000, the Clear Creek, Little Pistol, and Shellrock wildfires swept across much of the area that was sampled. Thus, these data represent a pre-fire baseline geochemical dataset. A 2001 post- fire study is planned and will involve re-sampling of the pre-fire baseline sites, to allow for pre- and post-fire comparison.

  20. Geochemical effects of CO2 sequestration in sandstones under simulated in situ conditions of deep saline aquifers

    International Nuclear Information System (INIS)

    Wigand, M.; Carey, J.W.; Schuett, H.; Spangenberg, E.; Erzinger, J.

    2008-01-01

    The geochemical effects of brine and supercritical CO 2 (SCCO 2 ) on reservoir rocks from deep (1500-2000 m) saline aquifers were examined via experimental simulation at in situ conditions. Dry sandstone samples were mounted in a triaxial cell and autoclave system, evacuated, and saturated with 1 M NaCl solution. The brine-rock system was allowed to react at 30 MPa confining pressure, 15 MPa pore fluid pressure, and 60 deg. C while SCCO 2 was injected at a pressure gradient of 1-2 MPa. The experiment was conducted for a period of 1496 h, during which fluids were periodically sampled and analyzed. The pH measured in partially degassed fluid samples at 25 deg. C decreased from a starting value of 7.0-4.3 (9 days) and finally 5.1 after saturation with SCCO 2 . Fluid analyses indicate that most of the major (e.g. Ca, Mg, Fe, Mn) and trace elements (e.g. Sr, Ba, Pb) of the sandstone increase in concentration during the reaction with brine and SCCO 2 . These results are supported by scanning electron microscopy which indicates dissolution of dolomite cement, K-feldspar, and albite. In addition to dissolution reactions the formation of montmorillonite was observed. By adjusting surface area and reaction rates of dissolution and precipitation, geochemical modeling of the experiments could reproduce long-term trends in solution chemistry and indicated limited rates of dissolution as the system remained strongly undersaturated with most minerals, including carbonates. The geochemical models could not account for decreases in concentration of some elements, changes in solution composition resulting from changes in imposed pressure gradient, and the observed Ca/Mg and Si/Al ratios in solution

  1. Computational Complexity of Combinatorial Surfaces

    NARCIS (Netherlands)

    Vegter, Gert; Yap, Chee K.

    1990-01-01

    We investigate the computational problems associated with combinatorial surfaces. Specifically, we present an algorithm (based on the Brahana-Dehn-Heegaard approach) for transforming the polygonal schema of a closed triangulated surface into its canonical form in O(n log n) time, where n is the

  2. Geochemistry of Precambrian carbonatite complexes of India : present status of, and gaps in our knowledge

    Energy Technology Data Exchange (ETDEWEB)

    Udas, G R [Department of Atomic Energy, Hyderabad (India). Atomic Minerals Div.

    1974-01-01

    Carbonatites of Precambrian age occur at Newania and Mundwara in Rajasthan, Sevathur and Hogenakal in Tamil Nadu, Kunavaram in Andhra Pradesh, and Kollegal in Karnataka. The Newia carvonatite is 952 +- 24 m.v. old (K-Ar age of an alkali amplibole), and the Sevathur carbontite is 720 +- 30 m.y. old (K-Ar age of a biotite). Although comprehensive geochemical studies involving major, minor, and trace elements, and carbon, oxygen and strontium isotopes have been undertaken on the 37.5 +- 2.5 m.y. old Eocene carbonatite complex at Amba Dongar, Gujarat, geochemical studies on the Precambrian carbonatites of India have been confined only to routine determinations of selected elements like Sr, Ba, Y, Ce, La, Nb, Zr, Th, Mn, Ti, F and P to demonstrate their carbonatitic affinites. Except for two K-Ar ages, and for some limited trace element data, no attempts have been made to elucidate the chronologic and petrogenetic evolution of these Precambrian carbonatites by the application of Rb-Sr, K-Ar, and U-Pb geochronometry, critical element ratios, stable and radiogenic isotope abundances, and geothermometry. Basic researches aimed at formulating geochemical criteria for locating commercially exploitable economic Precambrian carbonatite complexes are yet to be initiated in India. (auth)

  3. Chemistry of the Arroyo Marincho complex and Granodiorita of the Arroyo Grande. Part II. (Uruguay)

    International Nuclear Information System (INIS)

    Preciozzi, F.

    2011-01-01

    Mineralogical and chemical studies as well as thermodynamic conditions evaluation are able to localize several stabilized curves of the ferromagnese minerals in the Marincho complex ands the Arroyo Grande. The geochemical and thermodynamic characteristics has allowed to drive different evolutive models.

  4. Covalent attachment of pyridine-type molecules to glassy carbon surfaces by electrochemical reduction of in situ generated diazonium salts. Formation of ruthenium complexes on ligand-modified surfaces

    International Nuclear Information System (INIS)

    Yesildag, Ali; Ekinci, Duygu

    2010-01-01

    In this study, pyridine, quinoline and phenanthroline molecules were covalently bonded to glassy carbon (GC) electrode surfaces for the first time using the diazonium modification method. Then, the complexation ability of the modified films with ruthenium metal cations was investigated. The derivatization of GC surfaces with heteroaromatic molecules was achieved by electrochemical reduction of the corresponding in situ generated diazonium salts. X-ray photoelectron spectroscopy (XPS) was used to confirm the attachment of heteroaromatic molecules to the GC surfaces and to determine the surface concentration of the films. The barrier properties of the modified GC electrodes were studied in the presence of redox probes such as Fe(CN) 6 3- and Ru(NH 3 ) 6 3+ by cyclic voltammetry. Additionally, the presence of the resulting organometallic films on the surfaces was verified by XPS after the chemical transformation of the characterized ligand films to the ruthenium complex films. The electrochemical behavior of these films in acetonitrile solution was investigated using voltammetric methods, and the surface coverage of the organometallic films was determined from the reversible metal-based Ru(II)/Ru(III) oxidation waves.

  5. Late Cambrian magmatic arc activity in peri-Gondwana: geochemical evidence from the Basal Allochthonous Units of NW Iberia

    Energy Technology Data Exchange (ETDEWEB)

    Andonaegui, P.; Abati, J.; Díez-Fernández, R.

    2017-07-01

    The North African section of the Gondwana margin was the site of voluminous, arc-related magmatism during the Late Neoproterozoic (Avalonian–Cadomian orogen). The lower (and older) metasedimentary sequence that constitutes the Basal Units of the Allochthonous Complexes of NW Iberia was deposited in that setting. In these units, sedimentation was followed by the intrusion of tonalites and granodiorites in the late Cambrian (ca. 493–489Ma). In the Late Paleozoic, the collision of Gondwana and Laurussia (Variscan orogeny) deformed and metamorphosed the whole ensemble. New whole rock geochemical analysis performed in seven samples of metatonalites and fourteen samples of metagranodiorites are characterized by: i) slight enrichment in incompatible elements (Rb, Ba, Th, U), ii) negative anomalies in Nb, Ta, P, and Ti, and iii) negative anomalies in Eu. These chemical features are in agreement with a subduction-related setting for the genesis of both types of magma, which is also supported by chemical discrimination using tectonic setting diagrams. Positive anomalies of Pb suggest a crustal component. The new geochemical data reveal that the convergent orogen that ruled the paleogeography of the Gondwana periphery during the Neoproterozoic (Cadomian orogen) remained active bey.

  6. Modelling of water-gas-rock geo-chemical interactions. Application to mineral diagenesis in geological reservoirs

    International Nuclear Information System (INIS)

    Bildstein, Olivier

    1998-01-01

    Mineral diagenesis in tanks results from interactions between minerals, water, and possibly gases, over geological periods of time. The associated phenomena may have a crucial importance for reservoir characterization because of their impact on petrophysical properties. The objective of this research thesis is thus to develop a model which integrates geochemical functions necessary to simulate diagenetic reactions, and which is numerically efficient enough to perform the coupling with a transport model. After a recall of thermodynamic and kinetic backgrounds, the author discusses how the nature of available analytic and experimental data influenced choices made for the formalization of physical-chemical phenomena and for behaviour laws to be considered. Numerical and computational aspects are presented in the second part. The model is validated by using simple examples. The different possible steps during the kinetic competition between two mineral are highlighted, as well the competition between mineral reaction kinetics and water flow rate across the rock. Redox reactions are also considered. In the third part, the author reports the application of new model functions, and highlights the contribution of the modelling to the understanding of some complex geochemical phenomena and to the prediction of reservoir quality. The model is applied to several diagenetic transformations: cementation of dolomitic limestone by anhydride, illite precipitation, and thermal reduction of sulphates [fr

  7. Structure and reactivity of heterogeneous surfaces and study of the geometry of surface complexes. Progress report, January 1, 1984-December 31, 1984

    International Nuclear Information System (INIS)

    Landman, U.

    1984-01-01

    Since the beginning of this project, our group has been involved in theoretical studies of surface phenomena and processes, aimed toward increasing our understanding of fundamental processes which govern the properties of material surfaces. Our studies cover a wide spectrum of surface phenomena: surface reactivity, surface crystallography, electronic and vibrational structure, dynamical processes, phase transformations and phase change, the properties of interfaces and investigations of material processing and novel materials preparation techniques. In these investigations we develop and employ analytical and novel numerical, simulation, methods for the study of complex surface phenomena. Our recent surface molecular dynamics studies and simulations of laser annealing phenomena opened new avenues for the investigation of the microscopic dynamics and evolution of equilibrium and non-equilibrium processes at surfaces and interfaces. Our current studies of metallic glasses using a new langrangian formulation which includes all components of the total energy (density dependent electron gas, single particle and pair interactions) of the system, represents a novel approach for theoretical studies of this important class of systems

  8. Mineralogical and geochemical studies of phosphorite nodules in ...

    African Journals Online (AJOL)

    Mineralogical and geochemical studies of phosphorite nodules in the Dange Formation Sokoto Basin, Northwestern Niveria. OA Adekeye, SO Akande. Abstract. No Abstract Available Journal of Mining and Geology Vol.40(2) 2004: 101-106. Full Text: EMAIL FULL TEXT EMAIL FULL TEXT · DOWNLOAD FULL TEXT ...

  9. Geochemical assessment of light gaseous hydrocarbons in near ...

    Indian Academy of Sciences (India)

    Light hydrocarbons in soil have been used as direct indicators in geochemical hydrocarbon exploration, which remains an unconventional path in the petroleum industry. The occurrence of adsorbed soil ... Kalpana1 D J Patil1 A M Dayal1. National Geophysical Research Institute, Uppal Road, Hyderabad 500606, India.

  10. Hydrous ferric oxide: evaluation of Cd-HFO surface complexation models combining Cd(K) EXAFS data, potentiometric titration results, and surface site structures identified from mineralogical knowledge.

    Science.gov (United States)

    Spadini, Lorenzo; Schindler, Paul W; Charlet, Laurent; Manceau, Alain; Vala Ragnarsdottir, K

    2003-10-01

    The surface properties of ferrihydrite were studied by combining wet chemical data, Cd(K) EXAFS data, and a surface structure and protonation model of the ferrihydrite surface. Acid-base titration experiments and Cd(II)-ferrihydrite sorption experiments were performed within 3titration data could be adequately modeled by triple bond Fe- OH(2)(+1/2)-H(+)triple bond Fe-OH(-1/2),logk((int))=-8.29, assuming the existence of a unique intrinsic microscopic constant, logk((int)), and consequently the existence of a single significant type of acid-base reactive functional groups. The surface structure model indicates that these groups are terminal water groups. The Cd(II) data were modeled assuming the existence of a single reactive site. The model fits the data set at low Cd(II) concentration and up to 50% surface coverage. At high coverage more Cd(II) ions than predicted are adsorbed, which is indicative of the existence of a second type of site of lower affinity. This agrees with the surface structure and protonation model developed, which indicates comparable concentrations of high- and low-affinity sites. The model further shows that for each class of low- and high-affinity sites there exists a variety of corresponding Cd surface complex structure, depending on the model crystal faces on which the complexes develop. Generally, high-affinity surface structures have surface coordinations of 3 and 4, as compared to 1 and 2 for low-affinity surface structures.

  11. Design Process Control for Improved Surface Finish of Metal Additive Manufactured Parts of Complex Build Geometry

    Directory of Open Access Journals (Sweden)

    Mikdam Jamal

    2017-12-01

    Full Text Available Metal additive manufacturing (AM is increasingly used to create complex 3D components at near net shape. However, the surface finish (SF of the metal AM part is uneven, with surface roughness being variable over the facets of the design. Standard post-processing methods such as grinding and linishing often meet with major challenges in finishing parts of complex shape. This paper reports on research that demonstrated that mass finishing (MF processes are able to deliver high-quality surface finishes (Ra and Sa on AM-generated parts of a relatively complex geometry (both internal features and external facets under select conditions. Four processes were studied in this work: stream finishing, high-energy (HE centrifuge, drag finishing and disc finishing. Optimisation of the drag finishing process was then studied using a structured design of experiments (DOE. The effects of a range of finishing parameters were evaluated and optimal parameters and conditions were determined. The study established that the proposed method can be successfully applied in drag finishing to optimise the surface roughness in an industrial application and that it is an economical way of obtaining the maximum amount of information in a short period of time with a small number of tests. The study has also provided an important step in helping understand the requirements of MF to deliver AM-generated parts to a target quality finish and cycle time.

  12. Organic matter geochemical signatures (TOC, TN, C/N ratio, δ13C and δ15N) of surface sediment from lakes distributed along a climatological gradient on the western side of the southern Andes.

    Science.gov (United States)

    Contreras, Sergio; Werne, Josef P; Araneda, A; Urrutia, R; Conejero, C A

    2018-07-15

    Paleolimnological studies in western South America, where meteorological stations are scarce, are critical to obtain more realistic and reliable regional reconstructions of past climate and environmental changes, including vegetation and water budget variability. However, climate and environmental geochemical indicators must be tested before they can be applied with confidence. Here we present a survey of lacustrine surface sediment (core top, 0 to ~1cm) biogeochemical proxies (total organic carbon [TOC], total nitrogen [TN], carbon/nitrogen ratio [C/N ratio] and bulk organic δ 13 C and total δ 15 N) from a suite of 72 lakes spanning the transition from a Mediterranean climate with a patchwork of cultivated vegetation, pastureland, and conifers in central Chile to a rainy temperate climate dominated by broadleaf deciduous and evergreen forest further south. Sedimentary data are compared to the latitudinal and orographic climatic trends of the region based on the climatology (precipitation and temperature) produced with Climate Forecast System Reanalysis (CFSR) data and the modern Southern Hemisphere Westerly Winds (SWW) location. The geochemical data show inflection points at ~42°S latitude and ~1500m elevation that are likely related to the northern limit of influence of the SWW and elevation of the snow line, respectively. Overall the organic proxies were able to mimic climatic trends (Mean Annual Precipitation [MAP] and temperature [MAT]), indicating that they are a useful tool to be included in paleoclimatological reconstruction of the region. Copyright © 2018 Elsevier B.V. All rights reserved.

  13. Geochemical consequences of the Chernobyl accident.; Geokhimicheskie posledstviya Chernobyl`skoj katastrofy.

    Energy Technology Data Exchange (ETDEWEB)

    Kopejkin, V A [VNIIGEOLNERUD, Kazan` (Russian Federation)

    1994-12-31

    Geochemical features of Cs, Sr, U, Pu behaviour in the zone of their hypergenesis are presented in the article. Necessary conditions for these elements filtration on the natural geochemical barriers are shown. Data of radionuclide composition of water for five years of observation in << Ryzhiy Les >> and dissolved forms of radionuclides are described. Geologic and hydrogeologic conditions of the Chernobyl NPP site are shortly characterized. Radionuclide composition in the ground water of contaminated water pools is analyzed. It is proposed to cover by the law all {alpha}-elements (Pu, Am, Np) and not only plutonium as it currently takes place.

  14. PHREEQCI; a graphical user interface for the geochemical computer program PHREEQC

    Science.gov (United States)

    Charlton, Scott R.; Macklin, Clifford L.; Parkhurst, David L.

    1997-01-01

    PhreeqcI is a Windows-based graphical user interface for the geochemical computer program PHREEQC. PhreeqcI provides the capability to generate and edit input data files, run simulations, and view text files containing simulation results, all within the framework of a single interface. PHREEQC is a multipurpose geochemical program that can perform speciation, inverse, reaction-path, and 1D advective reaction-transport modeling. Interactive access to all of the capabilities of PHREEQC is available with PhreeqcI. The interface is written in Visual Basic and will run on personal computers under the Windows(3.1), Windows95, and WindowsNT operating systems.

  15. Hydrologic-geochemical modeling needs for nuclear waste disposal systems performance assessments from the NEA perspective

    International Nuclear Information System (INIS)

    Muller, A.B.

    1986-01-01

    Credible scenarios for releases from high level nuclear waste repositories require radionuclides to be mobilized and transported by ground water. The capability to predict ground water flow velocities and directions as well as radionuclide concentrations in the flow system as a function of time are essential for assessing the performance of disposal systems. The first of these parameters can be estimated by hydrologic modeling while the concentrations can be predicted by geochemical modeling. The complementary use of empirical and phenomenological approaches to the geochemical modeling, when effectively coupled with hydrologic models can provide the tools needed for realistic performance assessment. An overview of the activities of the NEA in this area, with emphasis on the geochemical data bases (ISIRS for Ksub(d) data and the thermochemical data base critical review), rock/water interaction modeling (code development and short-courses), and hydrologic-geochemical code coupling (workshop and in-house activities) is presented in this paper from the perspective of probabilistic risk assessment needs. (author)

  16. inner-sphere complexation of cations at the rutile-water interface: A concise surface structural interpretation with the CD and MUSIC model

    Energy Technology Data Exchange (ETDEWEB)

    Ridley, Mora K. [Texas Tech University, Lubbock; Hiemstra, T [Oak Ridge National Laboratory (ORNL); Van Riemsdijk, Willem H. [Wageningen University and Research Centre, The Netherlands; Machesky, Michael L. [Illinois State Water Survey, Champaign, IL

    2009-01-01

    Acid base reactivity and ion-interaction between mineral surfaces and aqueous solutions is most frequently investigated at the macroscopic scale as a function of pH. Experimental data are then rationalized by a variety of surface complexation models. These models are thermodynamically based which in principle does not require a molecular picture. The models are typically calibrated to relatively simple solid-electrolyte solution pairs and may provide poor descriptions of complex multicomponent mineral aqueous solutions, including those found in natural environments. Surface complexation models may be improved by incorporating molecular-scale surface structural information to constrain the modeling efforts. Here, we apply a concise, molecularly-constrained surface complexation model to a diverse suite of surface titration data for rutile and thereby begin to address the complexity of multi-component systems. Primary surface charging curves in NaCl, KCl, and RbCl electrolyte media were fit simultaneously using a charge distribution (CD) and multisite complexation (MUSIC) model [Hiemstra T. and Van Riemsdijk W. H. (1996) A surface structural approach to ion adsorption: the charge distribution (CD) model. J. Colloid Interf. Sci. 179, 488 508], coupled with a Basic Stern layer description of the electric double layer. In addition, data for the specific interaction of Ca2+ and Sr2+ with rutile, in NaCl and RbCl media, were modeled. In recent developments, spectroscopy, quantum calculations, and molecular simulations have shown that electrolyte and divalent cations are principally adsorbed in various inner-sphere configurations on the rutile 110 surface [Zhang Z., Fenter P., Cheng L., Sturchio N. C., Bedzyk M. J., Pr edota M., Bandura A., Kubicki J., Lvov S. N., Cummings P. T., Chialvo A. A., Ridley M. K., Be ne zeth P., Anovitz L., Palmer D. A., Machesky M. L. and Wesolowski D. J. (2004) Ion adsorption at the rutile water interface: linking molecular and macroscopic

  17. Inner-sphere complexation of cations at the rutile-water interface: A concise surface structural interpretation with the CD and MUSIC model

    Science.gov (United States)

    Ridley, Moira K.; Hiemstra, Tjisse; van Riemsdijk, Willem H.; Machesky, Michael L.

    2009-04-01

    Acid-base reactivity and ion-interaction between mineral surfaces and aqueous solutions is most frequently investigated at the macroscopic scale as a function of pH. Experimental data are then rationalized by a variety of surface complexation models. These models are thermodynamically based which in principle does not require a molecular picture. The models are typically calibrated to relatively simple solid-electrolyte solution pairs and may provide poor descriptions of complex multi-component mineral-aqueous solutions, including those found in natural environments. Surface complexation models may be improved by incorporating molecular-scale surface structural information to constrain the modeling efforts. Here, we apply a concise, molecularly-constrained surface complexation model to a diverse suite of surface titration data for rutile and thereby begin to address the complexity of multi-component systems. Primary surface charging curves in NaCl, KCl, and RbCl electrolyte media were fit simultaneously using a charge distribution (CD) and multisite complexation (MUSIC) model [Hiemstra T. and Van Riemsdijk W. H. (1996) A surface structural approach to ion adsorption: the charge distribution (CD) model. J. Colloid Interf. Sci. 179, 488-508], coupled with a Basic Stern layer description of the electric double layer. In addition, data for the specific interaction of Ca 2+ and Sr 2+ with rutile, in NaCl and RbCl media, were modeled. In recent developments, spectroscopy, quantum calculations, and molecular simulations have shown that electrolyte and divalent cations are principally adsorbed in various inner-sphere configurations on the rutile 1 1 0 surface [Zhang Z., Fenter P., Cheng L., Sturchio N. C., Bedzyk M. J., Předota M., Bandura A., Kubicki J., Lvov S. N., Cummings P. T., Chialvo A. A., Ridley M. K., Bénézeth P., Anovitz L., Palmer D. A., Machesky M. L. and Wesolowski D. J. (2004) Ion adsorption at the rutile-water interface: linking molecular and macroscopic

  18. Description of input and examples for PHREEQC version 3: a computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations

    Science.gov (United States)

    Parkhurst, David L.; Appelo, C.A.J.

    2013-01-01

    PHREEQC version 3 is a computer program written in the C and C++ programming languages that is designed to perform a wide variety of aqueous geochemical calculations. PHREEQC implements several types of aqueous models: two ion-association aqueous models (the Lawrence Livermore National Laboratory model and WATEQ4F), a Pitzer specific-ion-interaction aqueous model, and the SIT (Specific ion Interaction Theory) aqueous model. Using any of these aqueous models, PHREEQC has capabilities for (1) speciation and saturation-index calculations; (2) batch-reaction and one-dimensional (1D) transport calculations with reversible and irreversible reactions, which include aqueous, mineral, gas, solid-solution, surface-complexation, and ion-exchange equilibria, and specified mole transfers of reactants, kinetically controlled reactions, mixing of solutions, and pressure and temperature changes; and (3) inverse modeling, which finds sets of mineral and gas mole transfers that account for differences in composition between waters within specified compositional uncertainty limits. Many new modeling features were added to PHREEQC version 3 relative to version 2. The Pitzer aqueous model (pitzer.dat database, with keyword PITZER) can be used for high-salinity waters that are beyond the range of application for the Debye-Hückel theory. The Peng-Robinson equation of state has been implemented for calculating the solubility of gases at high pressure. Specific volumes of aqueous species are calculated as a function of the dielectric properties of water and the ionic strength of the solution, which allows calculation of pressure effects on chemical reactions and the density of a solution. The specific conductance and the density of a solution are calculated and printed in the output file. In addition to Runge-Kutta integration, a stiff ordinary differential equation solver (CVODE) has been included for kinetic calculations with multiple rates that occur at widely different time scales

  19. Comparison of the surface ion density of silica gel evaluated via spectral induced polarization versus acid-base titration

    Science.gov (United States)

    Hao, Na; Moysey, Stephen M. J.; Powell, Brian A.; Ntarlagiannis, Dimitrios

    2016-12-01

    Surface complexation models are widely used with batch adsorption experiments to characterize and predict surface geochemical processes in porous media. In contrast, the spectral induced polarization (SIP) method has recently been used to non-invasively monitor in situ subsurface chemical reactions in porous media, such as ion adsorption processes on mineral surfaces. Here we compare these tools for investigating surface site density changes during pH-dependent sodium adsorption on a silica gel. Continuous SIP measurements were conducted using a lab scale column packed with silica gel. A constant inflow of 0.05 M NaCl solution was introduced to the column while the influent pH was changed from 7.0 to 10.0 over the course of the experiment. The SIP measurements indicate that the pH change caused a 38.49 ± 0.30 μS cm- 1 increase in the imaginary conductivity of the silica gel. This increase is thought to result from deprotonation of silanol groups on the silica gel surface caused by the rise in pH, followed by sorption of Na+ cations. Fitting the SIP data using the mechanistic model of Leroy et al. (Leroyet al., 2008), which is based on the triple layer model of a mineral surface, we estimated an increase in the silica gel surface site density of 26.9 × 1016 sites m- 2. We independently used a potentiometric acid-base titration data for the silica gel to calibrate the triple layer model using the software FITEQL and observed a total increase in the surface site density for sodium sorption of 11.2 × 1016 sites m- 2, which is approximately 2.4 times smaller than the value estimated using the SIP model. By simulating the SIP response based on the calibrated surface complexation model, we found a moderate association between the measured and estimated imaginary conductivity (R2 = 0.65). These results suggest that the surface complexation model used here does not capture all mechanisms contributing to polarization of the silica gel captured by the SIP data.

  20. Geochemical and Isotopic Interpretations of Groundwater Flow in the Oasis Valley Flow System, Southern Nevada

    International Nuclear Information System (INIS)

    Thomas, J.M.; Benedict, F.C. Jr.; Rose, T.P.; Hershey, R.L.; Paces, J.B.; Peterman, Z.E.; Farnham, I.M.; Johannesson, K.H.; Singh, A.K.; Stetzenbach, K.J.; Hudson, G.B.; Kenneally, J.M.; Eaton, G.F.; Smith, D.K.

    2003-01-01

    This report summarizes the findings of a geochemical investigation of the Pahute Mesa-Oasis Valley groundwater flow system in southwestern Nevada. It is intended to provide geochemical data and interpretations in support of flow and contaminant transport modeling for the Western and Central Pahute Mesa Corrective Action Units

  1. Geochemical reactivity of rocks of the Czech Republic

    Czech Academy of Sciences Publication Activity Database

    Chuman, T.; Gürtlerová, P.; Hruška, Jakub; Adamová, M.

    2014-01-01

    Roč. 10, č. 2 (2014), s. 341-349 ISSN 1744-5647 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0073 Institutional support: RVO:67179843 Keywords : geochemical reactivity * Czech Republic * susceptibility to weathering Subject RIV: EH - Ecology, Behaviour Impact factor: 1.193, year: 2014

  2. Geochemical maps of stream sediments in central Colorado, from New Mexico to Wyoming

    Science.gov (United States)

    Eppinger, Robert G.; Giles, Stuart A.; Klein, Terry L.

    2015-01-01

    The U.S. Geological Survey has completed a series of geologic, mineral resource, and environmental assessment studies in the Rocky Mountains of central Colorado, from Leadville eastward to the range front and from New Mexico to the Wyoming border. Regional stream-sediment geochemical maps, useful for assessing mineral resources and environmental effects of historical mining activities, were produced as part of the study. The data portrayed in this 56-parameter portfolio of landscape geochemical maps serve as a geochemical baseline for the region, indicate element abundances characteristic of various lithologic terranes, and identify gross anthropogenic effects of historical mining. However, although reanalyzed in this study by modern, sensitive methods, the majority of the stream-sediment samples were collected in the 1970s. Thus, metal concentrations portrayed in these maps represent stream-sediment geochemistry at the time of collection.

  3. Hydro-geochemical modeling of subalpine urbanized area: geochemical characterization of the shallow and deep aquifers of the urban district of Como (first results).

    Science.gov (United States)

    Terrana, Silvia; Brunamonte, Fabio; Frascoli, Francesca; Ferrario, Maria Francesca; Michetti, Alessandro Maria; Pozzi, Andrea; Gambillara, Roberto; Binda, Gilberto

    2016-04-01

    characterization of both aquifers and the comprehension of the interaction between the shallow one and deep one. The first results of geochemical and hydrological analyses in nine piezometer, seven in the shallow aquifer and two in the deep one, permit to identify a general characterization of groundwater: the waters of both the aquifers are calcium bicarbonate, with discontinuous enrichment in sulphate and silicate. The conductibility values are higher in the shallow aquifer then in the deep aquifer, this is an indication of the high flow rate of the deep one and of the higher level of vulnerability of the shallow water respect the urban pollutant. Particular is also the relatively high temperature for the deep water (15.5°C to 16.1°C). The next steps of work are an increase of geochemical analysis, with trace element, and the correlation with hydro-chemical surface water.

  4. Characterization and complexation of humic acids. Part 1

    International Nuclear Information System (INIS)

    Kim, J.L.; Buckau, G.; Klenze, R.; Rhee, D.S.; Wimmer, H.

    1991-01-01

    This paper summarizes the research contributions to the CEC Mirage II project, particularly the research area on complexation and colloids (COCO). The first part of the paper comprises the characterization of humic and fulvic acids from different origins: a commercial product from the Aldrich Co. used as a reference humic acid and site-specific humic acids from Gorleben (Germany), Boom Clay (Belgium) and Fanay Augeres (France) aquifer systems. The second part includes the complexation of trivalent actinides: Am(III) and Cm(III) with various humic acids. A number of different methods have been applied for the complexation study: spectrophotometry, ultrafiltration, laser-induced photo-acoustic spectroscopy (LPAS) and time-resolved laser fluorescence spectroscopy (TRLFS). The evaluation process of complexation constant is discussed extensively and the well consolidated results are presented, which can be directly used for the geochemical modelling of the radionuclide migration

  5. The utilization of geochemical parameters for the environmental monitoring of the Nuclear Power Center of Angra I, Ribeira Bay, Rio de Janeiro, Brazil

    International Nuclear Information System (INIS)

    Bidone, E.D.; Carmo Lima, S. do.

    1984-01-01

    In order that a geochemical balance be as complete as possible and thus, reach predictive values for toxic chemical dispersion, an understanding of the hydrological, sedimentological and geological contexts is fundamental. The dispersion of a polluent (in this case radionuclides) is dependent, in part, on its chemical properties and its interaction by sorption and desorption from solid particles (in particular, sediments). This interaction needs to be incorporated in dispersion models and can influence the passage of a pollutant along the food chain. In the case of Ribeira Bay, near the nuclear power center of Angra I, it was observed, through the analysis of sedimentological and geochemical parameters (TOC, TSS, chemical and mineralogical compositions, and granularity): an increase in absorption capacity of surface sediments owing to a homogeneous grain size distribution and a varying clay composition; a possibility of remobilization and transfer of particulate material to areas outside the bay. (Author) [pt

  6. Stability of nano-metric colloidal dispersions of titanium: effect of surface complexation

    International Nuclear Information System (INIS)

    Peyre, Veronique

    1996-01-01

    This research thesis reports the study of the adsorption of small organic molecules at the surface of nano-particles of mineral oxides (zirconia), and of its effects on the stability of the colloidal dispersion. Adsorption has been quantified by adsorption isotherms and surface titrations. Processes and mechanisms are thus discussed with respect to pH. The influence of various protecting molecules (acetyl acetone, but also acetic acid, citric acid and diethanolamine) has been studied, and notably highlighted the role of the outer face of the complexing agent in the assessment of reactions between particles which govern the compression and re-dispersability properties of protected dispersions. This study is performed by osmotic pressure measurements and by X-ray diffusion at small angles, completed by statistical mechanics calculations [fr

  7. Geochemical indicators of gold ore fields

    International Nuclear Information System (INIS)

    Shcherbakov, Yu.G.

    1995-01-01

    The principles of selection of indicators for genetic reconstructions and prognostic valuations of gold mineralization of diverse morphological and geochemical types have been substantiated. The neutron-activation analysis with radiochemical separation and detection limit of 1-10 -8 %, instrumental neutron-activation analysis and atomic-absorption analysis are the main methods of determination of gold low contents in the rocks, as well as diverse elements, including transition, rare earth elements and tellurium, in gold. 50 refs.; 1 fig.; 3 tabs

  8. Lead transport in intra-oceanic subduction zones: 2D geochemical-thermo-mechanical modeling of isotopic signatures

    NARCIS (Netherlands)

    Baitsch-Ghirardello, B.; Stracke, A.; Connolly, J.A.D.; Nikolaeva, K.M.; Gerya, T.V.

    2014-01-01

    Understanding the physical-chemical mechanisms and pathways of geochemical transport in subduction zones remains a long-standing goal of subduction-related research. In this study, we perform fully coupled geochemical-thermo-mechanical (GcTM) numerical simulations to investigate Pb isotopic

  9. Geochemical surveys in the Lusi mud eruption

    Science.gov (United States)

    Sciarra, Alessandra; Mazzini, Adriano; Etiope, Giuseppe; Inguaggiato, Salvatore; Hussein, Alwi; Hadi J., Soffian

    2016-04-01

    The Lusi mud eruption started in May 2006 following to a 6.3 M earthquake striking the Java Island. In the framework of the Lusi Lab project (ERC grant n° 308126) we carried out geochemical surveys in the Sidoarjo district (Eastern Java Island, Indonesia) to investigate the gas bearing properties of the Watukosek fault system that crosses the Lusi mud eruption area. Soil gas (222Rn, CO2, CH4) concentration and flux measurements were performed 1) along two detailed profiles (~ 1km long), trending almost W-E direction, and 2) inside the Lusi embankment (about 7 km2) built to contain the erupted mud. Higher gas concentrations and fluxes were detected at the intersection with the Watukosek fault and the antithetic fault system. These zones characterized by the association of higher soil gas values constitute preferential migration pathways for fluids towards surface. The fractures release mainly CO2 (with peaks up to 400 g/m2day) and display higher temperatures (up to 41°C). The main shear zones are populated by numerous seeps that expel mostly CH4. Flux measurements in the seeping pools reveal that φCO2 is an order of magnitude higher than that measured in the fractures, and two orders of magnitude higher for φCH4. An additional geochemical profile was completed perpendicularly to the Watukosek fault escarpement (W-E direction) at the foots of the Penanngungang volcano. Results reveal CO2 and CH4 flux values significantly lower than those measured in the embankment, however an increase of radon and flux measurements is observed approaching the foots of the escarpment. These measurements are complemented with a database of ~350 CH4 and CO2 flux measurements and some soil gas concentrations (He, H2, CO2, CH4 and C2H6) and their isotopic analyses (δ13C-CH4, δD-CH4 and δ13C-CO2). Results show that the whole area is characterized by diffused gas release through seeps, fractures, microfractures and soil degassing. The collected results shed light on the origin of the

  10. Geochemical and geophysical investigations, and fluid inclusion studies in the exploration area of Zafarghand (Northeast Isfahan, Iran

    Directory of Open Access Journals (Sweden)

    Zahra Alaminia

    2017-11-01

    producing maps resulting from the detecting of anomaly or threshold values from the background (Aitchison, 1986; Sun et al., 2009. Anomalies of Cu, Mo, Au, Ag, Pb, Zn and Sb were determined by Mean + 2 standard deviation (Cheng, 2007; Zuo et al., 2009; Chen et al., 2016. Geochemical maps for these elements in rocks and soils (Fig. 4 show significant contrasts in haloes concentrations within the diorite and dacite rocks in the southeast of the study area. The addition of concentrations in rocks is suggested indicating that a district-scale geochemical present is confined to either base metals or precious metals. The obtained fluid inclusion results are compiled in Table 3. Primary fluid inclusions in quartz mostly consist of two-phases and rarely three phases. Homogenization temperatures (Th in quartz samples represent wide variations from 123° to 550°C. They were classified according to the mode of homogenization into two immiscible types (Fig. 8: These are early inclusions stage with a high Th (between 328° and 550°C and late stage inclusions with a low Th (between 123° and 390°C. The salinity measured using the equation of Bodnar (1993 for fluid inclusions varies from 1.15 to 43 eqv.wt% NaCl. It was divided into two groups including high salinity (32 to 43 eqv.wt% NaCl and low salinity (1.15 to 5.16 eqv.wt% NaCl. Discussion The predictive results obtained by field observations, geochemical and micro thermometric studies are in good agreement with the known deposits. Geochemical anomalies are associated with phyllic and rare silicified altered rocks. The host rocks of anomalies are mainly dacite and diorite, respectively with an Eocene and younger age. District-scale geochemical patterns of several elements (Cu, Mo, Au, Pb, Ag, As, and Sb in the surface coincide with the southeastern area and can be used to explore for epithermal and/or porphyry-type deposits. Anomalies of Cu and Mo are suitable for targeting Cu-Mo mineralization. Weak anomalies associated with Au

  11. Geochemical reanalysis of historical U.S. Geological Survey sediment samples from the Zane Hills, Hughes and Shungnak quadrangles, Alaska

    Science.gov (United States)

    Werdon, Melanie B.; Granitto, Matthew; Azain, Jaime S.

    2015-01-01

    The State of Alaska’s Strategic and Critical Minerals (SCM) Assessment project, a State-funded Capital Improvement Project (CIP), is designed to evaluate Alaska’s statewide potential for SCM resources. The SCM Assessment is being implemented by the Alaska Division of Geological & Geophysical Surveys (DGGS), and involves obtaining new airborne-geophysical, geological, and geochemical data. As part of the SCM Assessment, thousands of historical geochemical samples from DGGS, U.S. Geological Survey (USGS), and U.S. Bureau of Mines archives are being reanalyzed by DGGS using modern, quantitative, geochemical-analytical methods. The objective is to update the statewide geochemical database to more clearly identify areas in Alaska with SCM potential.The USGS is also undertaking SCM-related geologic studies in Alaska through the federally funded Alaska Critical Minerals cooperative project. DGGS and USGS share the goal of evaluating Alaska’s strategic and critical minerals potential and together created a Letter of Agreement (signed December 2012) and a supplementary Technical Assistance Agreement (#14CMTAA143458) to facilitate the two agencies’ cooperative work. Under these agreements, DGGS contracted the USGS in Denver to reanalyze historical USGS sediment samples from Alaska.For this report, DGGS funded reanalysis of 105 historical USGS sediment samples from the statewide Alaska Geochemical Database Version 2.0 (AGDB2; Granitto and others, 2013). Samples were chosen from the Zane Hills area in the Hughes and Shungnak quadrangles, Alaska (fig. 1). The USGS was responsible for sample retrieval from the National Geochemical Sample Archive (NGSA) in Denver, Colorado through the final quality assurance/quality control (QA/QC) of the geochemical analyses obtained through the USGS contract lab. The new geochemical data are published in this report as a coauthored DGGS report, and will be incorporated into the statewide geochemical databases of both agencies.

  12. The RSV F and G glycoproteins interact to form a complex on the surface of infected cells

    International Nuclear Information System (INIS)

    Low, Kit-Wei; Tan, Timothy; Ng, Ken; Tan, Boon-Huan; Sugrue, Richard J.

    2008-01-01

    In this study, the interaction between the respiratory syncytial virus (RSV) fusion (F) protein, attachment (G) protein, and small hydrophobic (SH) proteins was examined. Immunoprecipitation analysis suggested that the F and G proteins exist as a protein complex on the surface of RSV-infected cells, and this conclusion was supported by ultracentrifugation analysis that demonstrated co-migration of surface-expressed F and G proteins. Although our analysis provided evidence for an interaction between the G and SH proteins, no evidence was obtained for a single protein complex involving all three of the virus proteins. These data suggest the existence of multiple virus glycoprotein complexes within the RSV envelope. Although the stimulus that drives RSV-mediated membrane fusion is unknown, the association between the G and F proteins suggest an indirect role for the G protein in this process

  13. New insights on the structure of the picloram-montmorillonite surface complexes.

    Science.gov (United States)

    Marco-Brown, Jose L; Trinelli, María Alcira; Gaigneaux, Eric M; Sánchez, Rosa M Torres; Afonso, María dos Santos

    2015-04-15

    The environmental mobility and bioavailability of Picloram (PCM) are determined by the amine and carboxylate chemical groups interaction with the soils mineral phases. Clay particles, such as montmorillonite (Mt), and the pH value of the media could play an important role in adsorption processes. Thus, the study of the role of soil components other than organic matter deserves further investigation for a more accurate assessment of the risk of groundwater contamination. Samples with PCM adsorbed on Mt dispersions were prepared at pH 3-9. Subsequently, the dispersions were separated, washed, centrifuged and stored at room temperature. Picloram (PCM) herbicide interaction with surface groups of montmorillonite (Mt) was studied using XRD, DTA, FTIR and XPS techniques. The entrance of PCM into the Mt basal space, in two different arrangements, perpendicular and planar, is proposed and the final arrangement depends on PCM concentration. The interaction of PCM with Mt surface sites through the nitrogen of the pyridine ring and carboxylic group of PCM, forming bidentate and bridge inner-sphere complexes was confirmed by FTIR and XPS analysis. The acidity constant of the PCM adsorbed on the Mt surface was calculated. Copyright © 2014 Elsevier Inc. All rights reserved.

  14. Molecular and electronic structure of osmium complexes confined to Au(111) surfaces using a self-assembled molecular bridge

    Energy Technology Data Exchange (ETDEWEB)

    Llave, Ezequiel de la; Herrera, Santiago E.; Adam, Catherine; Méndez De Leo, Lucila P.; Calvo, Ernesto J.; Williams, Federico J., E-mail: fwilliams@qi.fcen.uba.ar [INQUIMAE-CONICET, Departamento de Química Inorgánica, Analítica y Química-Física, Facultad Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón 2, Buenos Aires C1428EHA (Argentina)

    2015-11-14

    The molecular and electronic structure of Os(II) complexes covalently bonded to self-assembled monolayers (SAMs) on Au(111) surfaces was studied by means of polarization modulation infrared reflection absorption spectroscopy, photoelectron spectroscopies, scanning tunneling microscopy, scanning tunneling spectroscopy, and density functional theory calculations. Attachment of the Os complex to the SAM proceeds via an amide covalent bond with the SAM alkyl chain 40° tilted with respect to the surface normal and a total thickness of 26 Å. The highest occupied molecular orbital of the Os complex is mainly based on the Os(II) center located 2.2 eV below the Fermi edge and the LUMO molecular orbital is mainly based on the bipyridine ligands located 1.5 eV above the Fermi edge.

  15. Geochemical studies of potential source minerals of radon: case studies in Hungary

    Energy Technology Data Exchange (ETDEWEB)

    Rajnai, G.; Nagy-Balogh, J.; Gal-Solymos, K.; Konc, Z.; Breitner, D.; Barabas, A.; Szabo, C. [Eotvos Univ., Lithosphere Fluid Research Lab, Dept. of Petrology and Geochemistry, Budapest (Hungary); Barabas, A. [Eotvos Univ., Dept. of Geophysics, Budapest (Hungary)

    2006-07-01

    In Hungary, during the past decade five distinct regions have been chosen to find possible explanations of the uncommonly high radon background radiation values. The main aim of the research is to study U- and Th-bearing minerals in petrographic and geochemical characters. Besides the microscopic techniques, whole rock and in situ geochemical analytical methods were applied to determine the bulk U and Th content of the studied geological samples. We assume that some of the radon measured is related to the U and Th contents of the samples. (authors)

  16. Geochemical evolution of the near field of a KBS-3 repository

    International Nuclear Information System (INIS)

    Arcos, David; Grandia, Fidel; Domenech, Cristina

    2006-09-01

    The Swedish concept developed by SKB for deep radioactive waste disposal, envisages an engineered multi-barrier system surrounding the nuclear waste (near field). In the present study we developed a numerical model to assess the geochemical evolution of the near field in the frame of the SKB's safety assessment SR-Can. These numerical models allow us to predict the long-term geochemical evolution of the near field system by means of reactive-transport codes and the information gathered in underground laboratory experiments and natural analogues. Two different scenarios have been defined to model this near field evolution, according to the pathway used by groundwater to contact the near field: a) through a fracture in the host rock intersecting the deposition hole; and b) through the material used to backfill the deposition tunnel. Moreover, we also modelled the effect of different groundwater compositions reaching the near field, as the up-rise of deep-seated brines and the intrusion of ice-melting derived groundwater. We also modelled the effect of the thermal stage due to the heat generated by spent fuel on the geochemical evolution of the bentonite barrier

  17. Geochemical properties and nuclear chemical characteristics of Oklo natural fission reactors

    Energy Technology Data Exchange (ETDEWEB)

    Hidaka, Hiroshi [Hiroshima Univ., Higashi-Hiroshima (Japan). Faculty of Science

    1997-07-01

    There are six uranium deposits in the Gabonese Republic in the cnetral Africa. `Fission reactor zone`, the fission chain reactions generated about 200 billion years ago, was existed in a part of them. CEA begun geochemical researches of Oklo deposits etc. in 1991. The geochemical and nuclear chemical properties of Oklo were reviewed from the results of researches. Oklo deposits is consisted of main five sedimentary faces such as sandstone (FA), Black Shale formation (FB), mudstone (FC), tuff (FD) and volcaniclastic sandstone (FE) from the bottom on the base rock of granite in the Precambrian era. Uranium is enriched in the upper part of FA layer and the under part of FB layer. {sup 235}U/{sup 238}U, U content, fission proportion, duration time, neutron fluence, temperature, restitution factor of {sup 235}U and epithermal index ({gamma}) were investigated and compared. The geochemical properties of Oklo are as followed: large enrich of uranium, the abundance ratio of {sup 235}U as same as that of enriched uranium, interaction of natural water and small rear earth elements. These factors made casually Oklo fission reactor. (S.Y.)

  18. Geochemical evolution of the near field of a KBS-3 repository

    Energy Technology Data Exchange (ETDEWEB)

    Arcos, David; Grandia, Fidel; Domenech, Cristina [Enviros Spain S.L., Barcelona (Spain)

    2006-09-15

    The Swedish concept developed by SKB for deep radioactive waste disposal, envisages an engineered multi-barrier system surrounding the nuclear waste (near field). In the present study we developed a numerical model to assess the geochemical evolution of the near field in the frame of the SKB's safety assessment SR-Can. These numerical models allow us to predict the long-term geochemical evolution of the near field system by means of reactive-transport codes and the information gathered in underground laboratory experiments and natural analogues. Two different scenarios have been defined to model this near field evolution, according to the pathway used by groundwater to contact the near field: a) through a fracture in the host rock intersecting the deposition hole; and b) through the material used to backfill the deposition tunnel. Moreover, we also modelled the effect of different groundwater compositions reaching the near field, as the up-rise of deep-seated brines and the intrusion of ice-melting derived groundwater. We also modelled the effect of the thermal stage due to the heat generated by spent fuel on the geochemical evolution of the bentonite barrier.

  19. Establishing nursery estuary otolith geochemical tags for Sea Bass (Dicentrarchus labrax): Is temporal stability estuary dependent?

    Science.gov (United States)

    Ryan, Diarmuid; Wögerbauer, Ciara; Roche, William

    2016-12-01

    The ability to determine connectivity between juveniles in nursery estuaries and adult populations is an important tool for fisheries management. Otoliths of juvenile fish contain geochemical tags, which reflect the variation in estuarine elemental chemistry, and allow discrimination of their natal and/or nursery estuaries. These tags can be used to investigate connectivity patterns between juveniles and adults. However, inter-annual variability of geochemical tags may limit the accuracy of nursery origin determinations. Otolith elemental composition was used to assign a single cohort of 0-group sea bass Dicentrarchus labrax to their nursery estuary thus establishing an initial baseline for stocks in waters around Ireland. Using a standard LDFA model, high classification accuracies to nursery sites (80-88%) were obtained. Temporal stability of otolith geochemical tags was also investigated to assess if annual sampling is required for connectivity studies. Geochemical tag stability was found to be strongly estuary dependent.

  20. Covalent attachment of pyridine-type molecules to glassy carbon surfaces by electrochemical reduction of in situ generated diazonium salts. Formation of ruthenium complexes on ligand-modified surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Yesildag, Ali [Department of Chemistry, Faculty of Sciences, Atatuerk University, 25240 Erzurum (Turkey); Ekinci, Duygu, E-mail: dekin@atauni.edu.t [Department of Chemistry, Faculty of Sciences, Atatuerk University, 25240 Erzurum (Turkey)

    2010-09-30

    In this study, pyridine, quinoline and phenanthroline molecules were covalently bonded to glassy carbon (GC) electrode surfaces for the first time using the diazonium modification method. Then, the complexation ability of the modified films with ruthenium metal cations was investigated. The derivatization of GC surfaces with heteroaromatic molecules was achieved by electrochemical reduction of the corresponding in situ generated diazonium salts. X-ray photoelectron spectroscopy (XPS) was used to confirm the attachment of heteroaromatic molecules to the GC surfaces and to determine the surface concentration of the films. The barrier properties of the modified GC electrodes were studied in the presence of redox probes such as Fe(CN){sub 6}{sup 3-} and Ru(NH{sub 3}){sub 6}{sup 3+} by cyclic voltammetry. Additionally, the presence of the resulting organometallic films on the surfaces was verified by XPS after the chemical transformation of the characterized ligand films to the ruthenium complex films. The electrochemical behavior of these films in acetonitrile solution was investigated using voltammetric methods, and the surface coverage of the organometallic films was determined from the reversible metal-based Ru(II)/Ru(III) oxidation waves.

  1. PALEOARCHEAN MAFIC ROCKS OF THE SOUTHWESTERN SIBERIAN CRATON: PRELIMINARY GEOCHRONOLOGY AND GEOCHEMICAL CHARACTERIZATION

    Directory of Open Access Journals (Sweden)

    A. V. Ivanov

    2017-01-01

    Full Text Available The Siberian craton consists of Archean blocks, which were welded up into the same large unit by ca 1.9 Ga [Gladkochub et al., 2006; Rojas-Agramonte et al., 2011]. The history of the constituent Archean blocks is mosaic because of limited number of outcrops, insufficient sampling coverage because of their location in remote regions and deep forest and difficulties with analytical studies of ancient rocks, which commonly underwent metamorphic modifications and secondary alterations. In this short note, we report data on discovery of unusual for Archean mafic rocks of ultimate fresh appearance. These rocks were discovered within southwestern Siberian craton in a region near a boundary between Kitoy granulites of the Sharyzhalgai highgrade metamorphic complex and Onot green-schist belt (Fig. 1. Here we present preliminary data on geochronology of these rocks and provide their geochemical characterization.

  2. Overview of the geochemical code MINTEQ: applications to performance assessment for low-level wastes

    International Nuclear Information System (INIS)

    Graham, M.J.; Peterson, S.R.

    1985-09-01

    The MINTEQ geochemical computer code, developed at Pacific Northwest Laboratory, integrates many of the capabilities of its two immediate predecessors, WATEQ3 and MINEQL. MINTEQ can be used to perform the calculations necessary to simulate (model) the contact of low-level waste solutions with heterogeneous sediments or the interaction of ground water with solidified low-level wastes. The code is capable of performing calculations of ion speciation/solubility, adsorption, oxidation-reduction, gas phase equilibria, and precipitation/dissolution of solid phases. Under the Special Waste Form Lysimeters-Arid program, the composition of effluents (leachates) from column and batch experiments, using laboratory-scale waste forms, will be used to develop a geochemical model of the interaction of ground water with commercial solidified low-level wastes. The wastes being evaluated include power reactor waste streams that have been solidified in cement, vinyl ester-styrene, and bitumen. The thermodynamic database for the code is being upgraded before the geochemical modeling is performed. Thermodynamic data for cobalt, antimony, cerium, and cesium solid phases and aqueous species are being added to the database. The need to add these data was identified from the characterization of the waste streams. The geochemical model developed from the laboratory data will then be applied to predict the release from a field-lysimeter facility that contains full-scale waste samples. The contaminant concentrations migrating from the wastes predicted using MINTEQ will be compared to the long-term lysimeter data. This comparison will constitute a partical field validation of the geochemical model. 28 refs

  3. Report on the geological-geochemical research carried out within the area of geochemical anomaly P7, Vathyrema, Drama Department

    International Nuclear Information System (INIS)

    Stavropoulos, Athanasios.

    1982-08-01

    The investigated area covering about 30 km 2 is situated in the crystalline massive of Rhodope (north of Drama deparment, E. Macedonia) where granitoids constitute its main petrological type. The geological-geochemical and radiometric investigations carried out so far in the area have localized a large number of places with high values of γ-radiation (1.000 - 15.000 c/s), as well as high concentrations of uranium (50-500 ppm). The uranium mineralization within the zone of oxidation is expressed by the uranium mineral autunite, accompanied by intensive hematitization-limonitization and chloritization-kaolinization, and additionally by small spots and veinlets of pyrite and galena. It seems that tectonic control exists on the uranium mineralization, since most of the anomalous concentrations of uranium are sitting along mylonite zones rich in chlorite and kaolin. There have been discerned seven more anomalous part areas which will have to be covered by geochemical stream sediment sampling (phase 3), as well as geological mapping (scale 1:5.000). The results from the research conducted within the concerned anomaly lead us to the conclusion that this area is very promising and possibilities of localization of uranium payable concentrations are very high. (N.Ch.)

  4. Uranium mineralization in the ring complex of Taperuaba, CE, Brazil

    International Nuclear Information System (INIS)

    Haddad, R.C.

    1981-01-01

    The study of the uraniferous deposit in the Northeast has been increased in last year, because of the discovery of many anomalies containing phosphate uraniferous mineralization. The anomalies in vila de Taperuaba at Ceara were examined. The petrografic, structural and geochemical study of the Taperuaba Ring complex, is made, in an attempt to estabilish the ore genesis and its probable controls. (L.H.L.L.) [pt

  5. Geochemical processes of mercury in Wujiangdu and Dongfeng reservoirs, Guizhou, China

    International Nuclear Information System (INIS)

    Feng Xinbin; Jiang Hongmei; Qiu Guangle; Yan Haiyu; Li Guanghui; Li Zhonggen

    2009-01-01

    The geochemical processes of mercury in Dongfeng (DF) and Wujiangdu (WJD) reservoirs, which were constructed in 1992 and 1979, respectively in Wujiang River, which is the upper branch of Yangtze River were investigated. One sampling site was chosen upriver of 1 km from the dam for each reservoir. Three sampling campaigns were conducted at these sampling sites in December 2003, April 2004 and July 2004, respectively. The distributions of different mercury species in the water column, sediment, and sediment pore water were studied. We found that the sediment is the net source of both inorganic and MeHg to the water column for both reservoirs. The MeHg diffusion fluxes in WJD reservoir at all sampling campaigns were significantly higher than those in DF reservoir. Our study demonstrated that the high primary productivity in the reservoir produced elevated organic matter content that would favor the methylmercury production in sediment. - Surface sediment in the reservoirs is the active mercury methylating sites in the systems.

  6. Spin crossover in Fe(phen)2(NCS)2 complexes on metallic surfaces

    Science.gov (United States)

    Gruber, Manuel; Miyamachi, Toshio; Davesne, Vincent; Bowen, Martin; Boukari, Samy; Wulfhekel, Wulf; Alouani, Mebarek; Beaurepaire, Eric

    2017-03-01

    In this review, we give an overview on the spin crossover of Fe(phen)2(NCS)2 complexes adsorbed on Cu(100), Cu2N/Cu(100), Cu(111), Co/Cu(111), Co(100), Au(100), and Au(111) surfaces. Depending on the strength of the interaction of the molecules with the substrates, the spin crossover behavior can be drastically changed. Molecules in direct contact with non-magnetic metallic surfaces coexist in both the high- and low-spin states but cannot be switched between the two. Our analysis shows that this is due to a strong interaction with the substrate in the form of a chemisorption that dictates the spin state of the molecules through its adsorption geometry. Upon reducing the interaction to the surface either by adding a second molecular layer or inserting an insulating thin film of Cu2N, the spin crossover behavior is restored and molecules can be switched between the two states with the help of scanning tunneling microscopy. Especially on Cu2N, the two states of single molecules are stable at low temperature and thus allow the realization of a molecular memory. Similarly, the molecules decoupled from metallic substrates in the second or higher layers display thermally driven spin crossover as has been revealed by X-ray absorption spectroscopy. Finally, we discuss the situation when the complex is brought into contact with a ferromagnetic substrate. This leads to a strong exchange coupling between the Fe spin in the high-spin state and the magnetization of the substrate as deduced from spin-polarized scanning tunneling spectroscopy and ab initio calculation.

  7. Approaches to surface complexation modeling of Uranium(VI) adsorption on aquifer sediments

    Science.gov (United States)

    Davis, J.A.; Meece, D.E.; Kohler, M.; Curtis, G.P.

    2004-01-01

    Uranium(VI) adsorption onto aquifer sediments was studied in batch experiments as a function of pH and U(VI) and dissolved carbonate concentrations in artificial groundwater solutions. The sediments were collected from an alluvial aquifer at a location upgradient of contamination from a former uranium mill operation at Naturita, Colorado (USA). The ranges of aqueous chemical conditions used in the U(VI) adsorption experiments (pH 6.9 to 7.9; U(VI) concentration 2.5 ?? 10-8 to 1 ?? 10-5 M; partial pressure of carbon dioxide gas 0.05 to 6.8%) were based on the spatial variation in chemical conditions observed in 1999-2000 in the Naturita alluvial aquifer. The major minerals in the sediments were quartz, feldspars, and calcite, with minor amounts of magnetite and clay minerals. Quartz grains commonly exhibited coatings that were greater than 10 nm in thickness and composed of an illite-smectite clay with occluded ferrihydrite and goethite nanoparticles. Chemical extractions of quartz grains removed from the sediments were used to estimate the masses of iron and aluminum present in the coatings. Various surface complexation modeling approaches were compared in terms of the ability to describe the U(VI) experimental data and the data requirements for model application to the sediments. Published models for U(VI) adsorption on reference minerals were applied to predict U(VI) adsorption based on assumptions about the sediment surface composition and physical properties (e.g., surface area and electrical double layer). Predictions from these models were highly variable, with results overpredicting or underpredicting the experimental data, depending on the assumptions used to apply the model. Although the models for reference minerals are supported by detailed experimental studies (and in ideal cases, surface spectroscopy), the results suggest that errors are caused in applying the models directly to the sediments by uncertain knowledge of: 1) the proportion and types of

  8. Examining Volcanic Terrains Using In Situ Geochemical Technologies; Implications for Planetary Field Geology

    Science.gov (United States)

    Young, K. E.; Bleacher, J. E.; Evans, C. A.; Rogers, A. D.; Ito, G.; Arzoumanian, Z.; Gendreau, K.

    2015-01-01

    Regardless of the target destination for the next manned planetary mission, the crew will require technology with which to select samples for return to Earth. The six Apollo lunar surface missions crews had only the tools to enable them to physically pick samples up off the surface or from a boulder and store those samples for return to the Lunar Module and eventually to Earth. Sample characterization was dependent upon visual inspection and relied upon their extensive geology training. In the four decades since Apollo however, great advances have been made in traditionally laboratory-based instrument technologies that enable miniaturization to a field-portable configuration. The implications of these advancements extend past traditional terrestrial field geology and into planetary surface exploration. With tools that will allow for real-time geochemical analysis, an astronaut can better develop a series of working hypotheses that are testable during surface science operations. One such technology is x-ray fluorescence (XRF). Traditionally used in a laboratory configuration, these instruments have now been developed and marketed commercially in a field-portable mode. We examine this technology in the context of geologic sample analysis and discuss current and future plans for instrument deployment. We also discuss the development of the Chromatic Mineral Identification and Surface Texture (CMIST) instrument at the NASA Goddard Space Flight Center (GSFC). Testing is taking place in conjunction with the RIS4E (Remote, In Situ, and Synchrotron Studies for Science and Exploration) SSERVI (Solar System Exploration and Research Virtual Institute) team activities, including field testing at Kilauea Volcano, HI..

  9. Geochemical interpretation of Kings Mountain, North Carolina, orientation area

    International Nuclear Information System (INIS)

    Price, V.; Ferguson, R.B.

    1977-01-01

    An orientation study has been made of uranium occurrences in the area of Kings Mountain, North Carolina. This is one of the orientation studies of known uranium occurrences that are being conducted in several geologic provinces and under various climatic (weathering) conditions to provide the technical basis for design and interpretation of NURE geochemical reconnaissance programs. The Kings Mountain area was chosen for study primarily because of the reported presence of high-uranium monazite. This 750-mi 2 area is in the deeply weathered southern Appalachian Piedmont and spans portions of the Inner Piedmont, Kings Mountain, and Charlotte geologic belts. Uranium concentration maps for ground and surface water samples clearly outline the outcrop area of the Cherryville Quartz Monzonite with highs up to 10 ppb uranium near the reported uraninite. Several surface water samples appear to be anomalous because of trace industrial contamination. Uranium concentration maps for -100 to +200 mesh stream sediments indicate the area of monazite abundance. Several samples with >100 ppM uranium content appear to be high in uranium-rich resistate minerals. When the uranium content of sediment samples is ratioed to the sum of Hf, Dy, and Th, the anomaly pattern shifts to coincide with uranium highs in ground and surface water samples. False anomalies from concentrations of monazite (Ce,ThPO 4 ), xenotime (Y,DyPO 4 ), and zircon (Zr,HfSiO 4 ) in stream sediment samples can thus be eliminated. Residual anomalies should be related to unusual uranium enrichment of these common minerals or to the presence of an uncommon uranium-rich mineral. Tantalum, beryllium, and tin in stream sediments correspond to high concentrations of uranium in stream and ground water but not to uranium in sediments. In an initial reconnaissance, several media should be sampled, and it is essential to correct uranium in sediments for the sample mineralogy

  10. Geochemical and Crystallographic Study of Turbo Torquatus (Mollusca: Gastropoda) From Southwestern Australia

    Science.gov (United States)

    Roger, L. M.; George, A. D.; Shaw, J.; Hart, R. D.; Roberts, M. P.; Becker, T.; Evans, N. J.; McDonald, B. J.

    2018-01-01

    Shells of the marine gastropod Turbo torquatus were sampled from three different locations along the Western Australian coastline, namely Marmion Lagoon (31°S), Rottnest Island (32°S), and Hamelin Bay (34°S). Marmion Lagoon and Rottnest Island have similar sea surface temperature ranges that are ˜1°C warmer than Hamelin Bay, with all sites influenced by the warm southward flowing Leeuwin Current. The shells were characterized using crystallographic, spectroscopic, and geochemical analyses. Shell mineral composition varies between the three sites suggesting the influence of sea surface temperature, oxygen consumption, and/or bedrock composition on shell mineralogy and preferential incorporation and/or elemental discrimination of Mg, P, and S. Furthermore, T. torquatus was found to exert control over the incorporation of most, if not all, the elements measured here, suggesting strong biological regulation. At all levels of testing, the concentrations of Li varied significantly, which indicates that this trace element may not be a suitable environmental proxy. Variation in Sr concentration between sites and between specimens reflects combined environmental and biological controls suggesting that Sr/Ca ratios in T. torquatus cannot be used to estimate sea surface temperature without experimentally accounting for metabolic and growth effects. The mineral composition and microstructure of T. torquatus shells may help identify sea surface temperature variations on geological time scales. These findings support the previously hypothesized involvement of an active selective pathway across the calcifying mantle of T. torquatus for most, if not all, the elements measured here.

  11. Geological and Geochemical Criteria for the Estimation of the Area of The Lesser Hinggan for the Endogenous Gold Mineralization (The Far East, Russia)

    Science.gov (United States)

    Yurchenko, Yuriy

    2015-04-01

    The Area of the Lesser Hinggan in the middle of the XIX century has been known as one of the Gold areas of the Far East. Exploration of gold in different years were engaged by P.K. Yavorovskiy (1904), E.E. Anert (1928), G.V. Itsikson (1961), V.A. Buryak (1999, 2002, 2003), A.M. Zhirnov (1998, 2000, 2008), L.V. Eyrish (1960, 1964, 1995, 1999, 2002, 2008) and many others. But despite the abundance of factual materials in the problem of the gold metallogeny of the Lesser Hinggan are more aspects that still have not received a answer. Among them is the key issue about indigenous sources of the gold. First for the Lesser Hinggan area, structural-geochemical zoning at 1:200 000 scale was carried out based on the results of the precise analyses of over 2,600 soil and sediment stream samples. Three anomalous geochemical zones and nine anomalous geochemical clusters in their contours specialized for gold mineralization were revealed. Regional clarkes (fersms) for 19 chemical elements were calculated. Geological formations geochemically specialized for gold and their role in endogenous ore-forming processes were defined. Geochemical criteria for endogenous gold mineralization and its ore-formational affiliation were defined as well. Thus, from the geological and geochemical data, are the following signs of the gold mineralization of the Lesser Hinggan: 1. Some geological formations are geochemical specialized by the gold (carbon ("black") schists and ferruginous quartzite Vendian-Cambrian Hinggan series). They're considered as a source of the gold, involved in younger epigenetic processes of mobilization and redistribution of this element; 2. Contrasting geochemical anomalies of the gold and elements satellites in the secondary halos and stream sediments displayed in the contours of the geological formations of a wide age range - terrigenous-carbonate rocks of the Hinggan series, the Paleozoic granitoid massives, the Cretaceous volcanic fields ; 3. Samples of the native gold

  12. Mining inventory of Uruguay. Polanco fotoplano geochemical prospecting results

    International Nuclear Information System (INIS)

    Zeegers, H; Artignan, D; Vairon, P

    1982-01-01

    This work is about the geochemical prospecting carried out in Polanco fotoplano within the framework of Uruguay Mining inventory . In this work were covered 660 km2 obtaining 685 samples for study which were analyzed by Plasma Emission Spectrometry in Orleans BRGM laboratories

  13. Hydrogeologic and geochemical characterization and evaluation of two arroyos for managed aquifer recharge by surface infiltration in the Pojoaque River Basin, Santa Fe County, New Mexico, 2014–15

    Science.gov (United States)

    Robertson, Andrew J.; Cordova, Jeffrey; Teeple, Andrew; Payne, Jason; Carruth, Rob

    2017-02-22

    In order to provide long-term storage of diverted surface water from the Rio Grande as part of the Aamodt water rights settlement, managed aquifer recharge by surface infiltration in Pojoaque River Basin arroyos was proposed as an option. The initial hydrogeologic and geochemical characterization of two arroyos located within the Pojoaque River Basin was performed in 2014 and 2015 in cooperation with the Bureau of Reclamation to evaluate the potential suitability of these two arroyos as sites for managed aquifer recharge through surface infiltration.The selected reaches were high-gradient (average 3.0–3.5 percent) braided channels filled with unconsolidated sand and gravel-sized deposits that were generally 30–50 feet thick. Saturation was not observed in the unconsolidated channel sands in four subsurface borings but was found at 7–60 feet below the contact between the unconsolidated channel sands and the bedrock. The poorly to well-cemented alluvial deposits that make up the bedrock underlying the unconsolidated channel material is the Tesuque Formation. The individual beds of the Tesuque Formation are reported to be highly heterogeneous and anisotropic, and the bedrock at the site was observed to have variable moisture and large changes in lithology. Surface electrical-resistivity geophysical survey methods showed a sharp contrast between the electrically resistive unconsolidated channel sands and the highly conductive bedrock; however, because of the high conductivity, the resistivity methods were not able to image the water table or preferential flow paths (if they existed) in the bedrock.Infiltration rates measured by double-ring and bulk infiltration tests on a variety of channel morphologies in the study reaches were extremely large (9.7–94.5 feet per day), indicating that the channels could potentially accommodate as much as 6.6 cubic feet per second of applied water without generating surface runoff out of the reach; however, the small volume

  14. Chemical functionalization of crystalline silicon surface with complexes of type (M3 (Dpa) 4X2) for the development of electronic devices

    International Nuclear Information System (INIS)

    Sanchez Zamora, Maria Alejandra

    2012-01-01

    New surfaces on crystalline silicon (100) diamines have been developed. The diamines 4-aminopyridine, 4-aminomethylpyridine and 1,12-dodecildiame, and self-assembled surfaces Si-diamine-metallic complexes, with cooper (II) acetate and trimetal Cu 3 (dpa) 4 CI 2 were studied. These surfaces are characterized with X-ray photoelectron spectroscopy (XPS), chemical force microscopy (CFM), by contact angle and cyclic voltammetry (CV). The XPS has suggested the formation of diamines monolayers with covalent binding to crystalline silicon, and modification of these surfaces, with metal complexes by coordination chemistry. The CFM has confirmed that surfaces are modified with diamines and cooper (II) acetate, and that were determined different chemical forces according to the change. The contact angle has been suggested that the functionalized surface with 4-aminomethylpyridine has had similar basicity to 1,12-dodecildiame, and more than 4-aminopyridine. This implies that the coordination with metallics complexes is benefited with 4-aminopyridine, which in turn is reflected with electrochemical data. Cyclic voltammetry analysis have showed that silicon surfaces with 4-aminomethylpyridine and 4-aminopyridine with cooper (II) acetate and trimetal have been electrochemically active. Thus, the surfaces could to have interesting applications in molecular electronics. (author) [es

  15. New results of microfaunal and geochemical investigations in the Permian-Triassic boundary interval from the Jadar Block (NW Serbia)

    Science.gov (United States)

    Sudar, Milan N.; Kolar-Jurkovšek, Tea; Nestell, Galina P.; Jovanović, Divna; Jurkovšek, Bogdan; Williams, Jeremy; Brookfield, Michael; Stebbins, Alan

    2018-04-01

    Detail results of microfaunal, sedimentological and geochemical investigations are documented from a newly discovered section of the Permian-Triassic boundary (PTB) interval in the area of the town of Valjevo (northwestern Serbia). The presence of various and abundant microfossils (conodonts, foraminifers, and ostracodes) found in the Upper Permian "Bituminous limestone" Formation enabled a determination of the Changhsingian Hindeodus praeparvus conodont Zone. This paper is the first report of latest Permian strata from the region, as well as from all of Serbia, where the PTB interval sediments have been part of a complex/integrated study by means of biostratigraphy and geochemistry.

  16. Joint body and surface wave tomography applied to the Toba caldera complex (Indonesia)

    Science.gov (United States)

    Jaxybulatov, Kairly; Koulakov, Ivan; Shapiro, Nikolai

    2016-04-01

    We developed a new algorithm for a joint body and surface wave tomography. The algorithm is a modification of the existing LOTOS code (Koulakov, 2009) developed for local earthquake tomography. The input data for the new method are travel times of P and S waves and dispersion curves of Rayleigh and Love waves. The main idea is that the two data types have complementary sensitivities. The body-wave data have good resolution at depth, where we have enough crossing rays between sources and receivers, whereas the surface waves have very good near-surface resolution. The surface wave dispersion curves can be retrieved from the correlations of the ambient seismic noise and in this case the sampled path distribution does not depend on the earthquake sources. The contributions of the two data types to the inversion are controlled by the weighting of the respective equations. One of the clearest cases where such approach may be useful are volcanic systems in subduction zones with their complex magmatic feeding systems that have deep roots in the mantle and intermediate magma chambers in the crust. In these areas, the joint inversion of different types of data helps us to build a comprehensive understanding of the entire system. We apply our algorithm to data collected in the region surrounding the Toba caldera complex (north Sumatra, Indonesia) during two temporary seismic experiments (IRIS, PASSCAL, 1995, GFZ, LAKE TOBA, 2008). We invert 6644 P and 5240 S wave arrivals and ~500 group velocity dispersion curves of Rayleigh and Love waves. We present a series of synthetic tests and real data inversions which show that joint inversion approach gives more reliable results than the separate inversion of two data types. Koulakov, I., LOTOS code for local earthquake tomographic inversion. Benchmarks for testing tomographic algorithms, Bull. seism. Soc. Am., 99(1), 194-214, 2009, doi:10.1785/0120080013

  17. Evaluation of uranium geochemical anomalies in the Charlotte 10 x 20 NTMS quadrangle

    International Nuclear Information System (INIS)

    Carpenter, R.H.

    1981-11-01

    This report contains a synthesis of published geological, geophysical, and geochemical information for portions of Cabarrus and Rowan Counties, NC, where uranium geochemical anomalies have been described by Heffner and Ferguson (1978). The results of a ground radiation survey in selected areas are also described. Based on an evaluation of published information and the data obtained in the field study, conclusions are made regarding the possible occurrence of uranium concentration. Recommendations for detailed surveys in certain areas are also presented

  18. Retrievals of Surface Air Temperature Using Multiple Satellite Data Combinations over Complex Terrain in the Korean Peninsula

    Science.gov (United States)

    Jang, K.; Won, M.; Yoon, S.; Lim, J.

    2016-12-01

    Surface air temperature (Tair) is a fundamental factor for terrestrial environments and plays a major role in the fields of applied meteorology, climatology, and ecology. The satellite remotely sensed data offers the opportunity to estimate Tair on the earth's surface with high spatial and temporal resolutions. The Moderate Resolution Imaging Spectroradiometer (MODIS) provides effective Tair retrievals although restricted to clear sky condition. MODIS Tair over complex terrain can result in significant retrieval errors due to the retrieval height mismatch to the elevation of local weather stations. In this study, we propose the methodology to estimate Tair over complex terrain for all sky conditions using multiple satellite data fusion based on the pixel-wise regression method. The combination of synergistic information from MODIS Tair and the brightness temperature (Tb) retrievals at 37 GHz frequency from the satellite microwave sensor were used for analysis. The air temperature lapse rate was applied to estimate the near-surface Tair considering the complex terrain such as mountainous regions. The retrieval results produced from this study showed a good agreement (RMSE Administration (KMA). The gaps in the MODIS Tair data due to cloud contamination were successfully filled using the proposed method which yielded similar accuracy as retrievals of clear sky. The results of this study indicate that the satellite data fusion can continuously produce Tair retrievals with reasonable accuracy and that the application of the temperature lapse rate can lead to improvement of the reliability over complex terrains such as the Korean Peninsula.

  19. Regional geochemical maps of uranium in Northern Scotland: Environmental and economic considerations

    International Nuclear Information System (INIS)

    Plant, J.

    1978-01-01

    The Institute of Geological Sciences began to prepare a series of regional geochemical maps at a scale of 1:250000, showing the surface distribution of those trace elements which are of economic and environmental significance. Particular interest was shown in uranium, important both for a nuclear fuel, and also for fundamental studies of geological processes. The first series of maps was prepared for the northern Highlands of Scotland. Natural levels of uranium in rocks, soils and water are reviewed. The reasons for selecting Northern Scotland and the effect of the environment on the methods of sampling are discussed. A brief summary is given of some of the main applications of these maps, the most important being to economic geology, agriculture, and medical geography. The maps should make it possible to ensure that development of mineral resources and environmental planning are soundly based. (U.K.)

  20. Experimental insights into geochemical changes in hydraulically fractured Marcellus Shale

    International Nuclear Information System (INIS)

    Marcon, Virginia; Joseph, Craig; Carter, Kimberly E.; Hedges, Sheila W.; Lopano, Christina L.; Guthrie, George D.; Hakala, J. Alexandra

    2017-01-01

    Hydraulic fracturing applied to organic-rich shales has significantly increased the recoverable volume of methane available for U.S. energy consumption. Fluid-shale reactions in the reservoir may affect long-term reservoir productivity and waste management needs through changes to fracture mineral composition and produced fluid chemical composition. We performed laboratory experiments with Marcellus Shale and lab-generated hydraulic fracturing fluid at elevated pressures and temperatures to evaluate mineral reactions and the release of trace elements into solution. Results from the experiment containing fracturing chemicals show evidence for clay and carbonate dissolution, secondary clay and anhydrite precipitation, and early-stage (24–48 h) fluid enrichment of certain elements followed by depletion in later stages (i.e. Al, Cd, Co, Cr, Cu, Ni, Sc, Zn). Other elements such as As, Fe, Mn, Sr, and Y increased in concentration and remained elevated throughout the duration of the experiment with fracturing fluid. Geochemical modeling of experimental fluid data indicates primary clay dissolution, and secondary formation of smectites and barite, after reaction with fracturing fluid. Changes in aqueous organic composition were observed, indicating organic additives may be chemically transformed or sequestered by the formation after hydraulic fracturing. The NaCl concentrations in our fluids are similar to measured concentrations in Marcellus Shale produced waters, showing that these experiments are representative of reservoir fluid chemistries and can provide insight on geochemical reactions that occur in the field. These results can be applied towards evaluating the evolution of hydraulically-fractured reservoirs, and towards understanding geochemical processes that control the composition of produced water from unconventional shales. - Highlights: • Metal concentrations could be at their peak in produced waters recovered 24–48 after fracturing. • Carbonate

  1. An evaluation of WRF's ability to reproduce the surface wind over complex terrain based on typical circulation patterns.

    NARCIS (Netherlands)

    Jiménez, P.A.; Dudhia, J.; González-Rouco, J.F.; Montávez, J.P.; Garcia-Bustamante, E.; Navarro, J.; Vilà-Guerau de Arellano, J.; Munoz-Roldán, A.

    2013-01-01

    [1] The performance of the Weather Research and Forecasting (WRF) model to reproduce the surface wind circulations over complex terrain is examined. The atmospheric evolution is simulated using two versions of the WRF model during an over 13¿year period (1992 to 2005) over a complex terrain region

  2. Ultrasonic detection technology based on joint robot on composite component with complex surface

    Energy Technology Data Exchange (ETDEWEB)

    Hao, Juan; Xu, Chunguang; Zhang, Lan [School of Mechanical Engineering, Beijing Institute of Technology, Beijing (China)

    2014-02-18

    Some components have complex surface, such as the airplane wing and the shell of a pressure vessel etc. The quality of these components determines the reliability and safety of related equipment. Ultrasonic nondestructive detection is one of the main methods used for testing material defects at present. In order to improve the testing precision, the acoustic axis of the ultrasonic transducer should be consistent with the normal direction of the measured points. When we use joint robots, automatic ultrasonic scan along the component surface normal direction can be realized by motion trajectory planning and coordinate transformation etc. In order to express the defects accurately and truly, the robot position and the signal of the ultrasonic transducer should be synchronized.

  3. Geochemical and isotopic study to determine sources and processes affecting nitrate and sulphate in groundwater influenced by intensive human activity - carbonate aquifer Gliwice (southern Poland)

    International Nuclear Information System (INIS)

    Jakóbczyk-Karpierz, Sabina; Sitek, Sławomir; Jakobsen, Rasmus; Kowalczyk, Andrzej

    2017-01-01

    A multi-species, multi-stable-isotope approach (δ"1"5N_N_O_3, δ"1"8O_N_O_3_, δ"3"4S_S_O_4, δ"1"8O_S_O_4, δ"1"8O_H_2_O and δ"2H_H_2_O) was used together with environmental tracers (Ar, Ne, CFC-11 and CFC-12) and geochemical modelling to characterize sources and processes controlling concentrations of NO_3"− and SO_4"2"- in groundwater of the carbonate aquifer Gliwice (southern Poland). The study area represents a strongly transformed environment with a range of human activities i.a. Agriculture, urbanization and industry. The δ"1"5N_N_O_3 and δ"1"8O_N_O_3 indicated that most samples contained NO_3"− of mixed sources: artificial fertilizers, municipal and industrial sewage, while very good correlation between NO_3"− and CFC-12 suggested that nitrate originated primarily from residential and industrial sewage. Conversely, isotopic composition of sulphate in groundwater suggested agriculture as well as oxidation of sulphides as dominant. The conclusion was supported by the comparison of CFCs and sulphate concentrations which revealed no relevant correlation. Geochemical modelling confirmed the presence of sulphate reduction in areas where isotopic analyses were not possible due to undetectable sulphate. Thus, the integrated application of stable isotopes, environmental tracers, groundwater chemistry and geochemical modelling shows a complex origin of groundwater pollution in the study area as well as variety of geochemical processes controlling chemistry of groundwater in a triple-porosity aquifer influenced by different types of human activity. - Highlights: • CFCs helped to identify municipal and industrial sources of NO_3"− in groundwater. • δ"1"8O and δ"3"4S suggested domination of SO_4"2"- from agriculture and sulphide oxidation. • Sulphate reduction was confirmed using geochemical modelling for SO_4"2"-free water.

  4. Uruguay Mining inventory. Las Animas fotoplano geochemical prospecting results

    International Nuclear Information System (INIS)

    Zeegers, H.; Spangenberg, J.

    1981-01-01

    This work is about the geochemical prospecting carried out in Las Animas fotoplano within the framework of Uruguay Mining inventory. In this work were covered 660 km2 obtaining 738 samples for study which were analyzed by Plasma Emission Spectrometry in Orleans BRGM laboratories.

  5. Overview of geochemical modeling needs for nuclear waste management

    International Nuclear Information System (INIS)

    Isherwood, D.J.; Wolery, T.J.

    1985-01-01

    Geochemical modeling needs for nuclear waste management are discussed with an emphasis on data base development and computer code. Other areas for future research include: precipitation kinetics, fixed fugacity, sorption, glasslt. slashwater interactions, redox disequilibrium and kinetics, radiolysis, solid solutions, and isotopic fractionation. 15 references

  6. Geochemical monitoring using noble gases and carbon isotopes: study of a natural reservoir

    International Nuclear Information System (INIS)

    Jeandel, E.

    2008-12-01

    To limit emissions of greenhouse gases in the atmosphere, CO 2 geological sequestration appears as a solution in the fight against climate change. The development of reliable monitoring tools to ensure the sustainability and the safety of geological storage is a prerequisite for the implementation of such sites. In this framework, a geochemical method using noble gas and carbon isotopes geochemistry has been tested on natural and industrial analogues. The study of natural analogues from different geological settings showed systematic behaviours of the geochemical parameters, depending on the containment sites, and proving the effectiveness of these tools in terms of leak detection and as tracers of the behaviour of CO 2 . Moreover, an experience of geochemical tracing on a natural gas storage has demonstrated that it is possible to identify the physical-chemical processes taking place in the reservoir to a human time scale, increasing interest in the proposed tool and providing general information on its use. (author)

  7. Of the necessity of knowledge of the natural pedo-geochemical background content in the evaluation of the contamination of soils by trace elements.

    Science.gov (United States)

    Baize, D; Sterckeman, T

    2001-01-08

    In order to evaluate the contamination of the Dornach (Switzerland) site within the framework of the CEEM-Soil project, each participating team was allowed to take a maximum of 15 samples. The French team's sampling was organized in such a way as to answer the following questions: (i) what is the natural concentration of the soils at this site (local pedo-geochemical background content)?; (ii) what are the levels of Cd, Cu, Pb and Zn contamination of the soil?; (iii) what is the depth reached by the surface contamination that is derived from atmospheric fallout?; (iv) how is the contamination spread along the longest axis of the area under study? The relationships between total Fe and the trace metals have allowed local variations in the natural pedo-geochemical background content to be detected and thus permitted the anthropogenic contamination to be estimated. There would appear to be a low level of Pb contamination over all the site investigated (an increase of the order of 5-10 mg kg(-1) on the background level), limited to the surface humus-bearing layers. There is also a significant contamination by Cu over all of the site (an increase of the order of 30-40 mg kg(-1)). This contamination has remained in the surface horizons (0-20 cm). Very high Zn and Cd concentrations have been found in the four surface (0-4 cm) and deep horizons (15-70 cm) taken under the forest and very much lower values in the samples taken from cultivated soils. The most likely explanation is an unequal inheritance between the upper part of the site (wooded with thinner very clayey soils) and the lower cultivated part of the site (with thicker less clayey soils developed in a loamy material). For various reasons, it seems unlikely that a contamination of the wooded part should be so much higher than the cultivated part due to the interception of atmospheric dust by the trees. The local pedo-geochemical background Cd and Zn content of the upper wooded part proved to be clearly higher than

  8. Behaviour of uranium series radionuclides in surface water (Crouzille, Limousin). Geochemical implications

    International Nuclear Information System (INIS)

    Moulin, J.

    2008-06-01

    Understanding natural radionuclides behaviour in surface water is a required step to achieve uranium mine rehabilitation and preserve water quality. The first objective of this thesis is to determine which are the radionuclides sources in a drinking water reservoir. The second objective is to improve the knowledge about the behaviour of uranium series radionuclides, especially actinium. The investigated site is a brook (Sagnes, Limousin, France) which floods a peat bog contaminated by a former uranium mine and which empties into the Crouzille lake. It allows studying radionuclides transport in surface water and radionuclides retention through organic substance or water reservoir. Radionuclides distribution in particulate, colloidal and dissolved phases is determined thanks to ultra-filtrations. Gamma spectrometry allows measuring almost all natural radionuclides with only two counting stages. However, low activities of 235 U series radionuclides impose the use of very low background well-type Ge detectors, such as those of the Underground Laboratory of Modane (France). Firstly, this study shows that no or few radionuclides are released by the Sagnes peat bog, although its radioactivity is important. Secondly, it provides details on the behaviour of uranium series radionuclides in surface water. More specifically, it provides the first indications of actinium solubility in surface water. Actinium's behaviour is very close to uranium's even if it is a little less soluble. (author)

  9. Drift pumice in the central Indian Ocean Basin: Geochemical evidence

    Digital Repository Service at National Institute of Oceanography (India)

    Pattan, J.N.; Mudholkar, A.V.; JaiSankar, S.; Ilangovan, D.

    Abundant white to light grey-coloured pumice without ferromanganese oxide coating occurs within the Quaternary sediments of the Central Indian Ocean Basin (CIOB). Two distinct groups of pumice are identified from their geochemical composition, which...

  10. The complexity of identifying Ryu-Takayanagi surfaces in AdS{sub 3}/CFT{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Bao, N.; Chatwin-Davies, A. [Walter Burke Institute for Theoretical Physics, California Institute of Technology,Pasadena, CA 91125 (United States)

    2016-11-07

    We present a constructive algorithm for the determination of Ryu-Takayanagi surfaces in AdS{sub 3}/CFT{sub 2} which exploits previously noted connections between holographic entanglement entropy and max-flow/min-cut. We then characterize its complexity as a polynomial time algorithm.

  11. High-level radioactive waste disposal: Key geochemical issues and information needs for site characterization

    International Nuclear Information System (INIS)

    Brooks, D.J.; Bembia, P.J.; Bradbury, J.W.; Jackson, K.C.; Kelly, W.R.; Kovach, L.A.; Mo, T.; Tesoriero, J.A.

    1986-01-01

    Geochemistry plays a key role in determining the potential of a high-level radioactive waste disposal site for long-term radionuclide containment and isolation. The Nuclear Regulatory Commission (NRC) has developed a set of issues and information needs important for characterizing geochemistry at the potential sites being investigated by the Department of Energy Basalt Waste Isolation Project, Nevada Nuclear Waste Storage Investigations project, and Salt Repository Project. The NRC site issues and information needs consider (1) the geochemical environment of the repository, (2) changes to the initial geochemical environment caused by construction and waste emplacement, and (3) interactions that affect the transport of waste radionuclides to the accessible environment. The development of these issues and information needs supports the ongoing effort of the NRC to identify and address areas of geochemical data uncertainty during prelicensing interactions

  12. Effects of geochemical composition on neutron die-away measurements: Implications for Mars Science Laboratory's Dynamic Albedo of Neutrons experiment

    Energy Technology Data Exchange (ETDEWEB)

    Hardgrove, C., E-mail: craig.hardgrove@stonybrook.edu [Department of Earth and Planetary Science, University of Tennessee, Knoxville, TN (United States); Moersch, J.; Drake, D. [Techsource, Santa Fe, NM (United States)

    2011-12-11

    Alpha Proton X-Ray Spectrometer (APXS), as examples of local geochemical anomalies that DAN would be sensitive to if they were present at the MSL landing site. These MER targets, named 'Eileen Dean,' 'Jack Russell,' and 'Kenosha Comets,' all have unusually high or low Cl or Fe abundances as a result of geochemical interactions involving water. Using these examples we demonstrate that DAN can be used not only to assess the amount of present-day hydrogen in the near-surface but also to identify locations that may preserve a geochemical record of past aqueous processes.

  13. Geochemical and Isotopic Characteristics of Quaternary Aquifer in Sohag District, Upper Egypt

    International Nuclear Information System (INIS)

    Ahmed, M.A.

    2008-01-01

    Thc Nile River valley represent one of the most important regions for agriculture and land reclamation in our area. Environmental isotopes and hydrochemical compositions in conjunction with geological and hydrogeological data were used to define chemical characteristics, sources of salinity, ground water origin and the possible recharge sources to the Nile Valley aquifer in Sohag district, Upper Egypt. The total dissolved solids of the ground water samples have higher values (445-7828 mg/L) than surface water (291-348 mg/L). The ground water in the Nile flood plain is very similar to that of the river water except at the margins of the basin. This ground water contains isotopic contents comparable to the river Nile with low TDS. The change of water quality at the old alluvium plain could be due to extensive use of fertilizers to improve soil characteristics in new reclamation area. Mineral saturation indices suggest that the dissolution of evaporites and halite is significant in the ground water and responsible for most of the ground water salinization. The relationships between Na + ,Cl - , Ca 2+ , Mg 2+ ,HCO 3 - and SO 4 2- show that complex geochemical processes control the chemical history of ground water: (I) continuous dissolution of evaporites and halite and precipitation of carbonate rocks, (2) cation exchange between ground water and clay minerals, (3) excessive use of fertilizers rich in MgSO 4 in the reclamation projects. The isotopic contents of surface water raged from 2.03 to 2.93%0 for δ 18 O, from 15.3 to 28.4%0 for δ 3 H, and from 4.6 to 7.8 TU for tritium while the isotopic contents of ground water ranged from -8,41 to 3,86% o for δ 18 O, from -67.8 to 29.9%0 for δ 2 H, and from 0.5 to 11.3 TU for tritium. The isotopic data reveals that the rechargability of this water is attributed to Nile flood water which was depleted in its isotopic content. Significant contribution from the palaeowater, which stored in the Nubia sandstone aquifer system

  14. A Guide for Using Geochemical Methods in Dredged Material, Sediment Tracking, and Sediment Budget Studies

    Science.gov (United States)

    2017-06-26

    geochemical markers such as radioisotopes and stable isotopes, organic matter, and mineralogy/elemental composition are recognized and established methods ...further elucidate the original erosion source of accumulating sediment (Hoefs 2009). 2.3 Radioisotopes Radioisotopic dating is based on measuring the...ER D C TR -1 7- 3 Dredging Operations and Environmental Research Program A Guide for Using Geochemical Methods in Dredged Material

  15. Chemical and geochemical studies off the coast of Washington. Report of progress, May 1974--May 1975

    International Nuclear Information System (INIS)

    Carpenter, R.

    1975-05-01

    Results are reported from studies on the chemical, geological, and geochemical effects of the Columbia River in the northeast Pacific Ocean from May 1974 to May 1975. The studies followed three main lines of investigation: surface chemical studies of the scavenging of various species dissolved in sea water, especially lead-210, by well characterized natural particulates; studies of uptake and transfer of several isotopes, starting with polonium-210, by particularly well defined parts of the marine food web; and studies of the behavior of lead-210 and polonium-210 in sediments off the Washington coast and the application of lead-210 dating to determine sediment accumulation rates over the past 100 years in the coastal zone

  16. Structural characterization and Hirshfeld surface analysis of a CoII complex with imidazo[1,2-a]pyridine

    Directory of Open Access Journals (Sweden)

    Saikat Kumar Seth

    2018-05-01

    Full Text Available A new mononuclear tetrahedral CoII complex, dichloridobis(imidazo[1,2-a]pyridine-κN1cobalt(II, [CoCl2(C7H6N22], has been synthesized using a bioactive imidazopyridine ligand. X-ray crystallography reveals that the solid-state structure of the title complex exhibits both C—H...Cl and π–π stacking interactions in building supramolecular assemblies. Indeed, the molecules are linked by C—H...Cl interactions into a two-dimensional framework, with finite zero-dimensional dimeric units as building blocks, whereas π–π stacking plays a crucial role in building a supramolecular layered network. An exhaustive investigation of the diverse intermolecular interactions via Hirshfeld surface analysis enables contributions to the crystal packing of the title complex to be quantified. The fingerprint plots associated with the Hirshfeld surface clearly display each significant interaction involved in the structure, by quantifying them in an effective visual manner.

  17. One-level modeling for diagnosing surface winds over complex terrain. II - Applicability to short-range forecasting

    Science.gov (United States)

    Alpert, P.; Getenio, B.; Zak-Rosenthal, R.

    1988-01-01

    The Alpert and Getenio (1988) modification of the Mass and Dempsey (1985) one-level sigma-surface model was used to study four synoptic events that included two winter cases (a Cyprus low and a Siberian high) and two summer cases. Results of statistical verification showed that the model is not only capable of diagnosing many details of surface mesoscale flow, but might also be useful for various applications which require operative short-range prediction of the diurnal changes of high-resolution surface flow over complex terrain, for example, in locating wildland fires, determining the dispersion of air pollutants, and predicting changes in wind energy or of surface wind for low-level air flights.

  18. Get a grip on chaos: Tailored measures for complex systems on surfaces

    Science.gov (United States)

    Firle, Sascha Oliver

    Complex systems are ubiquitous in physics, biology and mathematics. This thesis is concerned with describing and understanding complex systems. Some new concepts about how large systems can be viewed in a lower dimensional framework are proposed. The systems presented are examples from ecology and chemistry. In both cases we have a large amount of interacting units that can be understood by The predator-prey system investigated consists of ground beetles, Pterostichus cuprens L. (Coleoptera: Carabidae), that feeds on bird-cherry oat aphids. The beetles' movement can consistently be described by a combined model of surface diffusion and biased random walk. This allows conclusions about how fast and in which fashion the beetle covers its habitat. Movement is dependent on aphid densities and predation, in turn modifies aphid distributions locally. The presented generalized functional response theory describes predation rates in the presence of spatial heterogeneity. A single measure for fragmentation captures all essential features of the prey aggregation and allows the estimation of outbreak densities and distributions. The chemical example is the catalytic oxidation of CO on a Pt(110) single crystal surface. Unstable periodic orbits reconstructed from experimental data are used to reveal the topology of the attractor, underlying the time series dynamics. The found braid supports an orbit which implies that the time series is chaotic. The system is simulated numerically by a set of partial differential equations for surface coverage in one space dimension. The bifurcation diagram of the corresponding traveling wave ODE reveals the homoclinic and heteroclinic orbits that organize the phase space and mediate the transition to chaos. Studies in the PDE- framework relate this to the stability and to the interaction of pulse-like solutions.

  19. Porosity Development in a Coastal Setting: A Reactive Transport Model to Assess the Influence of Heterogeneity of Hydrological, Geochemical and Lithological Conditions

    Science.gov (United States)

    Maqueda, A.; Renard, P.; Cornaton, F. J.

    2014-12-01

    Coastal karst networks are formed by mineral dissolution, mainly calcite, in the freshwater-saltwater mixing zone. The problem has been approached first by studying the kinetics of calcite dissolution and then coupling ion-pairing software with flow and mass transport models. Porosity development models require high computational power. A workaround to reduce computational complexity is to assume the calcite dissolution reaction is relatively fast, thus equilibrium chemistry can be used to model it (Sanford & Konikow, 1989). Later developments allowed the full coupling of kinetics and transport in a model. However kinetics effects of calcite dissolution were found negligible under the single set of assumed hydrological and geochemical boundary conditions. A model is implemented with the coupling of FeFlow software as the flow & transport module and PHREEQC4FEFLOW (Wissmeier, 2013) ion-pairing module. The model is used to assess the influence of heterogeneities in hydrological, geochemical and lithological boundary conditions on porosity evolution. The hydrologic conditions present in the karst aquifer of Quintana Roo coast in Mexico are used as a guide for generating inputs for simulations.

  20. Geochemical Survey of Pernambuco

    International Nuclear Information System (INIS)

    Horowitz, A.; Duarte, P.J.; Almeida, M.G. de; Medeiros, M.O.

    1988-01-01

    The area studied i this work is located in a triangle formed by the Sibiro and Boca da Mata Sugar-Mills and Serinhaem country. In the Cabo Formation the search determinated conglomerates, arcos and clays. Although the highest geochemical activity have been done in the decomposed crystalin, and the values from Cabo Formation don't be encourager, this formation has lithology compatible with uranium mineralization. The Cabo Formation's sediments presents lithologic variations very expressives, with conglomerates, arcoses and clay silts, which determinate the choise of the area. This area presented favorable to uranium prospecting and to others elements interesting to ragional geochemistry. The atomic absorption analysis, fluorimetry and spectrometry were done for the following elements: Zn, V, Ti, Ni, Pb, Mn, Ga, Cu, Co, Bi, Ag, B, Mo, and U. (C.D.G.) [pt