WorldWideScience

Sample records for sampling geochemical modelling

  1. 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

  2. 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.

  3. 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

  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. 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

  6. 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.

  7. 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

  8. 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)

  9. 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...

  10. 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)

  11. 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

  12. 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)

  13. Radiochemical neutron activation analysis of gold in geochemical samples

    International Nuclear Information System (INIS)

    Zilliacus, R.

    1983-01-01

    A fast method for the radiochemical neutron activation analysis of gold in geochemical samples is described. The method is intended for samples having background concentrations of gold. The method is based on the dissolution of samples with hydrofluoric acid and aqua regia followed by the dissolution of the fluorides with boric acid and hydrochloric acid. Gold is then adsorbed on activated carbon by filtrating the solution through a thin carbon layer. The activity measurements are carried out using a Ge(Li)-detector and a multichannel analyzer. The chemical yields of the separation determined by reirradiation vary between 60 and 90%. The detection limit of the method is 0.2 ng/g gold in rock samples. USGS standard rocks and exploration reference materials are analyzed and the results are presented and compared with literature data. (author)

  14. Geochemical Modeling of ILAW Lysimeter Water Extracts

    Energy Technology Data Exchange (ETDEWEB)

    Cantrell, Kirk J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2014-12-22

    Geochemical modeling results of water extracts from simulated immobilized low-activity waste (ILAW) glasses, placed in lysimeters for eight years suggest that the secondary phase reaction network developed using product consistency test (PCT) results at 90°C may need to be modified for field conditions. For sediment samples that had been collected from near the glass samples, the impact of glass corrosion could be readily observed based upon the pH of their water extracts. For unimpacted sediments the pH ranged from 7.88 to 8.11 with an average of 8.04. Sediments that had observable impacts from glass corrosion exhibited elevated pH values (as high as 9.97). For lysimeter sediment samples that appear to have been impacted by glass corrosion to the greatest extent, saturation indices determined for analcime, calcite, and chalcedony in the 1:1 water extracts were near equilibrium and were consistent with the secondary phase reaction network developed using PCT results at 90°C. Fe(OH)3(s) also appears to be essentially at equilibrium in extracts impacted by glass corrosion, but with a solubility product (log Ksp) that is approximately 2.13 units lower than that used in the secondary phase reaction network developed using PCT results at 90°C. The solubilities of TiO2(am) and ZrO2(am) also appear to be much lower than that assumed in the secondary phase reaction network developed using PCT results at 90°C. The extent that the solubility of TiO2(am) and ZrO2(am) were reduced relative to that assumed in the secondary phase reaction network developed using PCT results at 90°C could not be quantified because the concentrations of Ti and Zr in the extracts were below the estimated quantification limit. Gibbsite was consistently highly oversaturated in the extract while dawsonite was at or near equilibrium. This suggests that dawsonite might be a more suitable phase for the secondary phase reaction network

  15. 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

  16. Determination of sampling constants in NBS geochemical standard reference materials

    International Nuclear Information System (INIS)

    Filby, R.H.; Bragg, A.E.; Grimm, C.A.

    1986-01-01

    Recently Filby et al. showed that, for several elements, National Bureau of Standards (NBS) Fly Ash standard reference material (SRM) 1633a was a suitable reference material for microanalysis (sample weights 2 , and the mean sample weight, W vector, K/sub s/ = (S/sub s/%) 2 W vector, could not be determined from these data because it was not possible to quantitate other sources of error in the experimental variances. K/sub s/ values for certified elements in geochemical SRMs provide important homogeneity information for microanalysis. For mineralogically homogeneous SRMs (i.e., small K/sub s/ values for associated elements) such as the proposed clays, it is necessary to determine K/sub s/ by analysis of very small sample aliquots to maximize the subsampling variance relative to other sources of error. This source of error and the blank correction for the sample container can be eliminated by determining K/sub s/ from radionuclide activities of weighed subsamples of a preirradiated SRM

  17. Quantitative determination of 210Po in geochemical samples

    International Nuclear Information System (INIS)

    Dyck, W.; Bristow, Q.

    1984-01-01

    To test the usefulness of 210 Po in soils as a means of detecting buried U mineralization, methods for the determination of 210 Po were investigated and adapted for routine production of 210 Po data from geochemical samples. A number of conditions affecting autodeposition and detection of 210 Po were investigated. The optimum area of deposition with a 450 mm 2 solid state detector was found to be 300 mm 2 . Convenience dictated room temperature over-night deposition times, although increased temperature increased speed and efficiency of deposition. A clear inverse relationship was observed between volume of solution and deposition efficiency with stirring times of less than 2 hours. For routine analysis, soil and rock powders were dissolved by leaching 1 g samples in teflon beakers successively with conc. HNO 3 , HF, and HNO 3 -HClO 4 , evaporating the solution to dryness between leaches, and taking the residue up in 20 mL 0.5 M HCl. The 210 Po was deposited on 19 mm diameter Ni discs and counted with an alpha spectrometer system employing 450 mm 2 ruggedized surface barrier detectors. The method achieved 90 percent recovery of 210 Po from solution and a detection efficiency of 30 percent. With a counting time of 3 hours, the method is capable of detecting 0.2 pCi of 210 Po per gram of sample

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

    International Nuclear Information System (INIS)

    Fernandez, A.M.

    2010-01-01

    Document available in extended abstract form only. Argillaceous formations of low permeability are considered in many countries as potential host rocks for the disposal of high level radioactive wastes (HLRW). In order to determine their suitability for waste disposal, evaluations of the hydro-geochemistry and transport mechanisms from such geologic formations to the biosphere must be undertaken. One of the key questions about radionuclide diffusion and retention is to know the chemistry and chemical reactions and sorption processes that will occur in the rock and their effects on radionuclide mobility. In this context, the knowledge of the pore water chemistry is essential for performance assessment purposes. This information allows to establish a reliable model for the main water-rock interactions, which control the physico-chemical parameters and the chemistry of the major elements of the system. An important issue in order to model the pore water chemistry in clayey media is to determine the respective volume accessible to cations and anions, i.e, the amount of water actually available for chemical reactions/solute transport. This amount is usually referred as accessible porosity or geochemical porosity. By using the anion inventories, i.e. the anion content obtained from aqueous leaching, and assuming that all Cl - , Br - and SO4 2- leached in the aqueous extracts originates from pore water, the concentration of a conservative ion can be converted into the real pore water concentration if the accessible porosity is known. In this work, the accessible porosity or geochemical porosity has been determined in core samples belonging to four different formations: Boom Clay from Hades URL (Belgium, BE), Opalinus Clay from Mont Terri (Switzerland, CH), and Callovo-Oxfordian argillite from Bure URL (France, FR). The geochemical or chloride porosity was defined as the ratio between the pore water volume containing Cl-bearing pore water and the total volume of a sample

  19. Geochemical modeling of magmatic gas scrubbing

    Directory of Open Access Journals (Sweden)

    B. Gambardella

    2005-06-01

    Full Text Available The EQ3/6 software package, version 7.2 was successfully used to model scrubbing of magmatic gas by pure water at 0.1 MPa, in the liquid and liquid-plus-gas regions. Some post-calculations were necessary to account for gas separation effects. In these post-calculations, redox potential was considered to be fixed by precipitation of crystalline a-sulfur, a ubiquitous and precocious process. As geochemical modeling is constrained by conservation of enthalpy upon water-gas mixing, the enthalpies of the gas species of interest were reviewed, adopting as reference state the liquid phase at the triple point. Our results confirm that significant emissions of highly acidic gas species (SO2(g, HCl(g, and HF(g are prevented by scrubbing, until dry conditions are established, at least locally. Nevertheless important outgassing of HCl(g can take place from acid, HCl-rich brines. Moreover, these findings support the rule of thumb which is generally used to distinguish SO2-, HCl-, and HF-bearing magmatic gases from SO2-, HCl-, and HF-free hydrothermal gases.

  20. Uncertainty in reactive transport geochemical modelling

    International Nuclear Information System (INIS)

    Oedegaard-Jensen, A.; Ekberg, C.

    2005-01-01

    Full text of publication follows: Geochemical modelling is one way of predicting the transport of i.e. radionuclides in a rock formation. In a rock formation there will be fractures in which water and dissolved species can be transported. The composition of the water and the rock can either increase or decrease the mobility of the transported entities. When doing simulations on the mobility or transport of different species one has to know the exact water composition, the exact flow rates in the fracture and in the surrounding rock, the porosity and which minerals the rock is composed of. The problem with simulations on rocks is that the rock itself it not uniform i.e. larger fractures in some areas and smaller in other areas which can give different water flows. The rock composition can be different in different areas. In additions to this variance in the rock there are also problems with measuring the physical parameters used in a simulation. All measurements will perturb the rock and this perturbation will results in more or less correct values of the interesting parameters. The analytical methods used are also encumbered with uncertainties which in this case are added to the uncertainty from the perturbation of the analysed parameters. When doing simulation the effect of the uncertainties must be taken into account. As the computers are getting faster and faster the complexity of simulated systems are increased which also increase the uncertainty in the results from the simulations. In this paper we will show how the uncertainty in the different parameters will effect the solubility and mobility of different species. Small uncertainties in the input parameters can result in large uncertainties in the end. (authors)

  1. 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.

  2. 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

  3. 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

  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. 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)

  6. 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

  7. 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

  8. Petrologic and geochemical characterization of the Bullfrog Member of the Crater Flat Tuff: outcrop samples used in waste package experiments

    International Nuclear Information System (INIS)

    Knauss, K.G.

    1983-09-01

    In support of the Waste Package Task within the Nevada Nuclear Waste Storage Investigation (NNWSI), experiments on hydrothermal rock/water interaction, corrosion, thermomechanics, and geochemical modeling calculations are being conducted. All of these activities require characterization of the initial bulk composition, mineralogy, and individual phase geochemistry of the potential repository host rock. This report summarizes the characterization done on samples of the Bullfrog Member of the Crater Flat Tuff (Tcfb) used for Waste Package experimental programs. 11 references, 17 figures, 3 tables

  9. 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)

  10. 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

  11. Geochemical mole-balance modeling with uncertain data

    Science.gov (United States)

    Parkhurst, David L.

    1997-01-01

    Geochemical mole-balance models are sets of chemical reactions that quantitatively account for changes in the chemical and isotopic composition of water along a flow path. A revised mole-balance formulation that includes an uncertainty term for each chemical and isotopic datum is derived. The revised formulation is comprised of mole-balance equations for each element or element redox state, alkalinity, electrons, solvent water, and each isotope; a charge-balance equation and an equation that relates the uncertainty terms for pH, alkalinity, and total dissolved inorganic carbon for each aqueous solution; inequality constraints on the size of the uncertainty terms; and inequality constraints on the sign of the mole transfer of reactants. The equations and inequality constraints are solved by a modification of the simplex algorithm combined with an exhaustive search for unique combinations of aqueous solutions and reactants for which the equations and inequality constraints can be solved and the uncertainty terms minimized. Additional algorithms find only the simplest mole-balance models and determine the ranges of mixing fractions for each solution and mole transfers for each reactant that are consistent with specified limits on the uncertainty terms. The revised formulation produces simpler and more robust mole-balance models and allows the significance of mixing fractions and mole transfers to be evaluated. In an example from the central Oklahoma aquifer, inclusion of up to 5% uncertainty in the chemical data can reduce the number of reactants in mole-balance models from seven or more to as few as three, these being cation exchange, dolomite dissolution, and silica precipitation. In another example from the Madison aquifer, inclusion of the charge-balance constraint requires significant increases in the mole transfers of calcite, dolomite, and organic matter, which reduce the estimated maximum carbon 14 age of the sample by about 10,000 years, from 22,700 years to

  12. Overview of geochemical modeling needs for nuclear waste management

    International Nuclear Information System (INIS)

    Isherwood, D.; Wolery, T.

    1984-01-01

    Research needs include, but are not limited to: measurement of basic thermodynamic data at elevated temperatures for species identified by modelers as potentially important; evaluation of substances which control or limit precipitation and/or nucleation kinetics; sorption studies specifically designed to provide data needed for modeling. This includes the rate of sorption, desorption, and the characterization of the solid and aqueous phases; site-mixing models and thermodynamic data for secondary minerals that form solid solutions; the development of standard techniques for measuring rate laws for precipitation and dissolution kinetics; and measurement of rate laws describing redox kinetics, dissolution, and precipitation involving aqueous species and solid phases of interest to geochemical modelers

  13. Geochemical modeling of uranium mill tailings: a case study

    International Nuclear Information System (INIS)

    Peterson, S.R.; Felmy, A.R.; Serne, R.J.; Gee, G.W.

    1983-08-01

    Liner failure was not found to be a problem when various acidic tailings solutions leached through liner materials for periods up to 3 y. On the contrary, materials that contained over 30% clay showed a decrease in permeability with time in the laboratory columns. The decreases in permeability noted above are attributed to pore plugging resulting from the precipitation of minerals and solids. This precipitation takes place due to the increase in pH of the tailings solution brought about by the buffering capacity of the soil. Geochemical modeling predicts, and x-ray characterization confirms, that precipitation of solids from solution is occurring in the acidic tailings solution/liner interactions studied. X-ray diffraction identified gypsum and alunite group minerals, such as jarosite, as having precipitated after acidic tailings solutions reacted with clay liners. The geochemical modeling and experimental work described above were used to construct an equilibrium conceptual model consisting of minerals and solid phases. This model was developed to represent a soil column. A computer program was used as a tool to solve the system of mathematical equations imposed by the conceptual chemical model. The combined conceptual model and computer program were used to predict aqueous phase compositions of effluent solutions from permeability cells packed with geologic materials and percolated with uranium mill tailings solutions. An initial conclusion drawn from these studies is that the laboratory experiments and geochemical modeling predictions were capable of simulating field observations. The same mineralogical changes and contaminant reductions observed in the laboratory studies were found at a drained evaporation pond (Lucky Mc in Wyoming) with a 10-year history of acid attack. 24 references, 5 figures 5 tables

  14. 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

  15. Field-based tests of geochemical modeling codes: New Zealand hydrothermal systems

    International Nuclear Information System (INIS)

    Bruton, C.J.; Glassley, W.E.; Bourcier, W.L.

    1993-12-01

    Hydrothermal systems in the Taupo Volcanic Zone, North Island, New Zealand are being used as field-based modeling exercises for the EQ3/6 geochemical modeling code package. Comparisons of the observed state and evolution of the hydrothermal systems with predictions of fluid-solid equilibria made using geochemical modeling codes will determine how the codes can be used to predict the chemical and mineralogical response of the environment to nuclear waste emplacement. Field-based exercises allow us to test the models on time scales unattainable in the laboratory. Preliminary predictions of mineral assemblages in equilibrium with fluids sampled from wells in the Wairakei and Kawerau geothermal field suggest that affinity-temperature diagrams must be used in conjunction with EQ6 to minimize the effect of uncertainties in thermodynamic and kinetic data on code predictions

  16. Field-based tests of geochemical modeling codes usign New Zealand hydrothermal systems

    International Nuclear Information System (INIS)

    Bruton, C.J.; Glassley, W.E.; Bourcier, W.L.

    1994-06-01

    Hydrothermal systems in the Taupo Volcanic Zone, North Island, New Zealand are being used as field-based modeling exercises for the EQ3/6 geochemical modeling code package. Comparisons of the observed state and evolution of the hydrothermal systems with predictions of fluid-solid equilibria made using geochemical modeling codes will determine how the codes can be used to predict the chemical and mineralogical response of the environment to nuclear waste emplacement. Field-based exercises allow us to test the models on time scales unattainable in the laboratory. Preliminary predictions of mineral assemblages in equilibrium with fluids sampled from wells in the Wairakei and Kawerau geothermal field suggest that affinity-temperature diagrams must be used in conjunction with EQ6 to minimize the effect of uncertainties in thermodynamic and kinetic data on code predictions

  17. Petrologic and geochemical characterization of the Topopah Spring Member of the Paintbrush Tuff: outcrop samples used in waste package experiments

    International Nuclear Information System (INIS)

    Knauss, K.G.

    1984-06-01

    This report summarizes characterization studies conducted with outcrop samples of Topopah Spring Member of the Paintbrush Tuff (Tpt). In support of the Waste Package Task within the Nevada Nuclear Waste Storage Investigation (NNWSI), Tpt is being studied both as a primary object and as a constituent used to condition water that will be reacted with waste form, canister, or packing material. These studies directly or indirectly support NNWSI subtasks concerned with waste package design and geochemical modeling. To interpret the results of subtask experiments, it is necessary to know the exact nature of the starting material in terms of the intial bulk composition, mineralogy, and individual phase geochemistry. 31 figures, 5 tables

  18. Petrologic and geochemical characterization of the Topopah Spring Member of the Paintbrush Tuff: outcrop samples used in waste package experiments

    Energy Technology Data Exchange (ETDEWEB)

    Knauss, K.G.

    1984-06-01

    This report summarizes characterization studies conducted with outcrop samples of Topopah Spring Member of the Paintbrush Tuff (Tpt). In support of the Waste Package Task within the Nevada Nuclear Waste Storage Investigation (NNWSI), Tpt is being studied both as a primary object and as a constituent used to condition water that will be reacted with waste form, canister, or packing material. These studies directly or indirectly support NNWSI subtasks concerned with waste package design and geochemical modeling. To interpret the results of subtask experiments, it is necessary to know the exact nature of the starting material in terms of the intial bulk composition, mineralogy, and individual phase geochemistry. 31 figures, 5 tables.

  19. Geochemical analysis of brine samples for exploration of Borate deposits in the South of Sabzevar

    Directory of Open Access Journals (Sweden)

    Mahdi Bemani

    2016-07-01

    Full Text Available Introduction Mohammad-abad Oryan is the only potential source of borate in the North-east of Iran located in 50 km South of Sabzevar. The area is located in tuff marl, tuffaceous marl, volcanic braccia and tuff braccia structures. Remote sensing techniques, geological studies and integration of this data in GIS were applied in an area of about 600 square kilometers to locate the promising areas of borate mineralization for detailed studies (Bemani, 2012. The aim of this detailed geochemical study is to confine the anomaly areas for exploratory drilling and trenching. Materials and methods Field studies were carried out in 9 geological traverses, mainly in Tonakar and Borje Kharkan area and 126 brine samples were taken from hydrothermal springs and 13 rock samples were taken from trenches. All the samples were analyzed for four elements, including B, K, Li and Mg. In order to determine the threshold quantities of the samples and isolation of anomaly, the data were analyzed using statistical methods including classical statistics, fractal geometry and EDA methods (Bemani, 2012. Result Initial data analysis showed that there were no censored data. Also, by applying statistical hypothesis testing, no significant relation was observed between the elements in the two areas (except for Li. Therefore, all the statistical analyses were carried out separately. After outlier correction, based on the amount of skewedness and histograms and probability plots of different elements, it became clear that none of the elements in the raw data distribution were normal and required to be transformed to be close to normal. In this study, logarithmic and three-parameter logarithm transformation were used in order to normalize the data . Based on the mean values, standard deviation of the normalized data, and background value and threshold, probable and possible anomalies were obtained and geochemical anomaly maps were drawn to identify the promising areas. With the

  20. 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

  1. 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.

  2. 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)

  3. 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...

  4. WATEQ3 geochemical model: thermodynamic data for several additional solids

    International Nuclear Information System (INIS)

    Krupka, K.M.; Jenne, E.A.

    1982-09-01

    Geochemical models such as WATEQ3 can be used to model the concentrations of water-soluble pollutants that may result from the disposal of nuclear waste and retorted oil shale. However, for a model to competently deal with these water-soluble pollutants, an adequate thermodynamic data base must be provided that includes elements identified as important in modeling these pollutants. To this end, several minerals and related solid phases were identified that were absent from the thermodynamic data base of WATEQ3. In this study, the thermodynamic data for the identified solids were compiled and selected from several published tabulations of thermodynamic data. For these solids, an accepted Gibbs free energy of formation, ΔG 0 /sub f,298/, was selected for each solid phase based on the recentness of the tabulated data and on considerations of internal consistency with respect to both the published tabulations and the existing data in WATEQ3. For those solids not included in these published tabulations, Gibbs free energies of formation were calculated from published solubility data (e.g., lepidocrocite), or were estimated (e.g., nontronite) using a free-energy summation method described by Mattigod and Sposito (1978). The accepted or estimated free energies were then combined with internally consistent, ancillary thermodynamic data to calculate equilibrium constants for the hydrolysis reactions of these minerals and related solid phases. Including these values in the WATEQ3 data base increased the competency of this geochemical model in applications associated with the disposal of nuclear waste and retorted oil shale. Additional minerals and related solid phases that need to be added to the solubility submodel will be identified as modeling applications continue in these two programs

  5. Geochemical isotope compartment model of the nitrogen cycle

    International Nuclear Information System (INIS)

    Weise, G.; Wetzel, K.; Stiehl, G.

    1981-01-01

    A model of the global cycle of nitrogen and its isotopes is described. It takes into account geochemical reservoirs (nitrogen in magmatic metamorphic, and sedimentary rocks and in the atmosphere) and the nitrogen exchange between magmatic rocks and the outer mantle, the transition of nitrogen exchange between sedimentary rocks and the atmosphere. With the aid of the mathematical formalisms of the compartment theory and on the basis of all available delta 11 N values assumptions regarding the isotope effects in forming these nitrogen fluxes data have been obtained on the degree of the nitrogen exchange between the earth crust and the outer mantle and on other nitrogen fluxes characterizing the global nitrogen cycle. (author)

  6. 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

  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 controls on shale groundwaters: Results of reaction path modeling

    International Nuclear Information System (INIS)

    Von Damm, K.L.; VandenBrook, A.J.

    1989-03-01

    The EQ3NR/EQ6 geochemical modeling code was used to simulate the reaction of several shale mineralogies with different groundwater compositions in order to elucidate changes that may occur in both the groundwater compositions, and rock mineralogies and compositions under conditions which may be encountered in a high-level radioactive waste repository. Shales with primarily illitic or smectitic compositions were the focus of this study. The reactions were run at the ambient temperatures of the groundwaters and to temperatures as high as 250/degree/C, the approximate temperature maximum expected in a repository. All modeling assumed that equilibrium was achieved and treated the rock and water assemblage as a closed system. Graphite was used as a proxy mineral for organic matter in the shales. The results show that the presence of even a very small amount of reducing mineral has a large influence on the redox state of the groundwaters, and that either pyrite or graphite provides essentially the same results, with slight differences in dissolved C, Fe and S concentrations. The thermodynamic data base is inadequate at the present time to fully evaluate the speciation of dissolved carbon, due to the paucity of thermodynamic data for organic compounds. In the illitic cases the groundwaters resulting from interaction at elevated temperatures are acid, while the smectitic cases remain alkaline, although the final equilibrium mineral assemblages are quite similar. 10 refs., 8 figs., 15 tabs

  9. Biological reduction of chlorinated solvents: Batch-scale geochemical modeling

    Science.gov (United States)

    Kouznetsova, Irina; Mao, Xiaomin; Robinson, Clare; Barry, D. A.; Gerhard, Jason I.; McCarty, Perry L.

    2010-09-01

    Simulation of biodegradation of chlorinated solvents in dense non-aqueous phase liquid (DNAPL) source zones requires a model that accounts for the complexity of processes involved and that is consistent with available laboratory studies. This paper describes such a comprehensive modeling framework that includes microbially mediated degradation processes, microbial population growth and decay, geochemical reactions, as well as interphase mass transfer processes such as DNAPL dissolution, gas formation and mineral precipitation/dissolution. All these processes can be in equilibrium or kinetically controlled. A batch modeling example was presented where the degradation of trichloroethene (TCE) and its byproducts and concomitant reactions (e.g., electron donor fermentation, sulfate reduction, pH buffering by calcite dissolution) were simulated. Local and global sensitivity analysis techniques were applied to delineate the dominant model parameters and processes. Sensitivity analysis indicated that accurate values for parameters related to dichloroethene (DCE) and vinyl chloride (VC) degradation (i.e., DCE and VC maximum utilization rates, yield due to DCE utilization, decay rate for DCE/VC dechlorinators) are important for prediction of the overall dechlorination time. These parameters influence the maximum growth rate of the DCE and VC dechlorinating microorganisms and, thus, the time required for a small initial population to reach a sufficient concentration to significantly affect the overall rate of dechlorination. Self-inhibition of chlorinated ethenes at high concentrations and natural buffering provided by the sediment were also shown to significantly influence the dechlorination time. Furthermore, the analysis indicated that the rates of the competing, nonchlorinated electron-accepting processes relative to the dechlorination kinetics also affect the overall dechlorination time. Results demonstrated that the model developed is a flexible research tool that is

  10. 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

  11. Inverse modeling of geochemical and mechanical compaction in sedimentary basins

    Science.gov (United States)

    Colombo, Ivo; Porta, Giovanni Michele; Guadagnini, Alberto

    2015-04-01

    We study key phenomena driving the feedback between sediment compaction processes and fluid flow in stratified sedimentary basins formed through lithification of sand and clay sediments after deposition. Processes we consider are mechanic compaction of the host rock and the geochemical compaction due to quartz cementation in sandstones. Key objectives of our study include (i) the quantification of the influence of the uncertainty of the model input parameters on the model output and (ii) the application of an inverse modeling technique to field scale data. Proper accounting of the feedback between sediment compaction processes and fluid flow in the subsurface is key to quantify a wide set of environmentally and industrially relevant phenomena. These include, e.g., compaction-driven brine and/or saltwater flow at deep locations and its influence on (a) tracer concentrations observed in shallow sediments, (b) build up of fluid overpressure, (c) hydrocarbon generation and migration, (d) subsidence due to groundwater and/or hydrocarbons withdrawal, and (e) formation of ore deposits. Main processes driving the diagenesis of sediments after deposition are mechanical compaction due to overburden and precipitation/dissolution associated with reactive transport. The natural evolution of sedimentary basins is characterized by geological time scales, thus preventing direct and exhaustive measurement of the system dynamical changes. The outputs of compaction models are plagued by uncertainty because of the incomplete knowledge of the models and parameters governing diagenesis. Development of robust methodologies for inverse modeling and parameter estimation under uncertainty is therefore crucial to the quantification of natural compaction phenomena. We employ a numerical methodology based on three building blocks: (i) space-time discretization of the compaction process; (ii) representation of target output variables through a Polynomial Chaos Expansion (PCE); and (iii) model

  12. Geochemical Modeling Of F Area Seepage Basin Composition And Variability

    International Nuclear Information System (INIS)

    Millings, M.; Denham, M.; Looney, B.

    2012-01-01

    From the 1950s through 1989, the F Area Seepage Basins at the Savannah River Site (SRS) received low level radioactive wastes resulting from processing nuclear materials. Discharges of process wastes to the F Area Seepage Basins followed by subsequent mixing processes within the basins and eventual infiltration into the subsurface resulted in contamination of the underlying vadose zone and downgradient groundwater. For simulating contaminant behavior and subsurface transport, a quantitative understanding of the interrelated discharge-mixing-infiltration system along with the resulting chemistry of fluids entering the subsurface is needed. An example of this need emerged as the F Area Seepage Basins was selected as a key case study demonstration site for the Advanced Simulation Capability for Environmental Management (ASCEM) Program. This modeling evaluation explored the importance of the wide variability in bulk wastewater chemistry as it propagated through the basins. The results are intended to generally improve and refine the conceptualization of infiltration of chemical wastes from seepage basins receiving variable waste streams and to specifically support the ASCEM case study model for the F Area Seepage Basins. Specific goals of this work included: (1) develop a technically-based 'charge-balanced' nominal source term chemistry for water infiltrating into the subsurface during basin operations, (2) estimate the nature of short term and long term variability in infiltrating water to support scenario development for uncertainty quantification (i.e., UQ analysis), (3) identify key geochemical factors that control overall basin water chemistry and the projected variability/stability, and (4) link wastewater chemistry to the subsurface based on monitoring well data. Results from this study provide data and understanding that can be used in further modeling efforts of the F Area groundwater plume. As identified in this study, key geochemical factors affecting basin

  13. 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

  14. Bayesian calibration of thermodynamic parameters for geochemical speciation modeling of cementitious materials

    International Nuclear Information System (INIS)

    Sarkar, S.; Kosson, D.S.; Mahadevan, S.; Meeussen, J.C.L.; Sloot, H. van der; Arnold, J.R.; Brown, K.G.

    2012-01-01

    Chemical equilibrium modeling of cementitious materials requires aqueous–solid equilibrium constants of the controlling mineral phases (K sp ) and the available concentrations of primary components. Inherent randomness of the input and model parameters, experimental measurement error, the assumptions and approximations required for numerical simulation, and inadequate knowledge of the chemical process contribute to uncertainty in model prediction. A numerical simulation framework is developed in this paper to assess uncertainty in K sp values used in geochemical speciation models. A Bayesian statistical method is used in combination with an efficient, adaptive Metropolis sampling technique to develop probability density functions for K sp values. One set of leaching experimental observations is used for calibration and another set is used for comparison to evaluate the applicability of the approach. The estimated probability distributions of K sp values can be used in Monte Carlo simulation to assess uncertainty in the behavior of aqueous–solid partitioning of constituents in cement-based materials.

  15. Experimental study and numerical modelling of geochemical reactions occurring during uranium in situ recovery (ISR) mining

    International Nuclear Information System (INIS)

    Ben Simon, R.

    2011-09-01

    The in situ Recovery (ISR) method consists of ore mining by in situ chemical leaching with acid or alkaline solutions. ISR takes place underground and is therefore limited to the analysis of the pumped solutions, hence ISR mine management is still empirical. Numerical modelling has been considered to achieve more efficient management of this process. Three different phenomena have to be taken into account for numerical simulations of uranium ISR mining: (1) geochemical reactions; (2) the kinetics of these reactions, and (3) hydrodynamic transport with respect to the reaction kinetics. Leaching tests have been conducted on ore samples from an uranium mine in Tortkuduk (Kazakhstan) where ISR is conducted by acid leaching. Two types of leaching experiments were performed: (1) tests in batch reactors; and (2) extraction in flow through columns. The assumptions deduced from the leaching tests were tested and validated by modelling the laboratory experiments with the numerical codes CHESS and HYTEC, both developed at the Geosciences research center of Mines ParisTech. A well-constrained 1D hydrogeochemical transport model of the ISR process at laboratory-scale was proposed. It enables to translate the chemical release sequence that is observed during experiments into a geochemical reaction sequence. It was possible to highlight the controlling factors of uranium dissolution, and the precipitation of secondary mineral phase in the deposit, as well as the determination of the relative importance of these factors. (author)

  16. 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

  17. 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

  18. Statistical characterization of a large geochemical database and effect of sample size

    Science.gov (United States)

    Zhang, C.; Manheim, F.T.; Hinde, J.; Grossman, J.N.

    2005-01-01

    The authors investigated statistical distributions for concentrations of chemical elements from the National Geochemical Survey (NGS) database of the U.S. Geological Survey. At the time of this study, the NGS data set encompasses 48,544 stream sediment and soil samples from the conterminous United States analyzed by ICP-AES following a 4-acid near-total digestion. This report includes 27 elements: Al, Ca, Fe, K, Mg, Na, P, Ti, Ba, Ce, Co, Cr, Cu, Ga, La, Li, Mn, Nb, Nd, Ni, Pb, Sc, Sr, Th, V, Y and Zn. The goal and challenge for the statistical overview was to delineate chemical distributions in a complex, heterogeneous data set spanning a large geographic range (the conterminous United States), and many different geological provinces and rock types. After declustering to create a uniform spatial sample distribution with 16,511 samples, histograms and quantile-quantile (Q-Q) plots were employed to delineate subpopulations that have coherent chemical and mineral affinities. Probability groupings are discerned by changes in slope (kinks) on the plots. Major rock-forming elements, e.g., Al, Ca, K and Na, tend to display linear segments on normal Q-Q plots. These segments can commonly be linked to petrologic or mineralogical associations. For example, linear segments on K and Na plots reflect dilution of clay minerals by quartz sand (low in K and Na). Minor and trace element relationships are best displayed on lognormal Q-Q plots. These sensitively reflect discrete relationships in subpopulations within the wide range of the data. For example, small but distinctly log-linear subpopulations for Pb, Cu, Zn and Ag are interpreted to represent ore-grade enrichment of naturally occurring minerals such as sulfides. None of the 27 chemical elements could pass the test for either normal or lognormal distribution on the declustered data set. Part of the reasons relate to the presence of mixtures of subpopulations and outliers. Random samples of the data set with successively

  19. Mineral Precipitation in Fractures: Multiscale Imaging and Geochemical Modeling

    Science.gov (United States)

    Hajirezaie, S.; Peters, C. A.; Swift, A.; Sheets, J. M.; Cole, D. R.; Crandall, D.; Cheshire, M.; Stack, A. G.; Anovitz, L. M.

    2017-12-01

    For subsurface energy technologies such as geologic carbon sequestration, fractures are potential pathways for fluid migration from target formations. Highly permeable fractures may become sealed by mineral precipitation. In this study, we examined shale specimens with existing cemented fractures as natural analogues, using an array of imaging methods to characterize mineralogy and porosity at several spatial scales. In addition, we used reactive transport modeling to investigate geochemical conditions that can lead to extensive mineral precipitation and to simulate the impacts on fracture hydraulic properties. The naturally-cemented fractured rock specimens were from the Upper Wolfcamp formation in Texas, at 10,000 ft depth. The specimens were scanned using x-ray computed tomography (xCT) at resolution of 13 microns. The xCT images revealed an original fracture aperture of 1.9 mm filled with several distinct mineral phases and vuggy void regions, and the mineral phase volumes and surface areas were quantified and mapped in 3D. Specimens were thin-sectioned and examined at micron- and submicron-scales using petrographic microscopy (PM), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), and small angle X-ray scattering (SAXS). Collectively these methods revealed crystals of dolomite as large as 900 microns in length overlain with a heterogeneous mixture of carbonate minerals including calcite, dolomite, and Fe-rich dolomite, interspersed at spatial scales as small as 5 microns. In addition, secondary precipitation of SiO2 was found to fill some of the void space. This multiscale imaging was used to inform the reactive transport modeling employed to examine the conditions that can cause the observed mineral precipitation in fractures at a larger scale. Two brines containing solutions that when mixed would lead to precipitation of various carbonate minerals were simulated as injectants into a fracture domain. In particular, the competing

  20. Geochemical Data for Samples Collected in 2007 Near the Concealed Pebble Porphyry Cu-Au-Mo Deposit, Southwest Alaska

    Science.gov (United States)

    Fey, David L.; Granitto, Matthew; Giles, Stuart A.; Smith, Steven M.; Eppinger, Robert G.; Kelley, Karen D.

    2008-01-01

    In the summer of 2007, the U.S. Geological Survey (USGS) began an exploration geochemical research study over the Pebble porphyry copper-gold-molydenum (Cu-Au-Mo) deposit in southwest Alaska. The Pebble deposit is extremely large and is almost entirely concealed by tundra, glacial deposits, and post-Cretaceous volcanic and volcaniclastic rocks. The deposit is presently being explored by Northern Dynasty Minerals, Ltd., and Anglo-American LLC. The USGS undertakes unbiased, broad-scale mineral resource assessments of government lands to provide Congress and citizens with information on national mineral endowment. Research on known deposits is also done to refine and better constrain methods and deposit models for the mineral resource assessments. The Pebble deposit was chosen for this study because it is concealed by surficial cover rocks, it is relatively undisturbed (except for exploration company drill holes), it is a large mineral system, and it is fairly well constrained at depth by the drill hole geology and geochemistry. The goals of the USGS study are (1) to determine whether the concealed deposit can be detected with surface samples, (2) to better understand the processes of metal migration from the deposit to the surface, and (3) to test and develop methods for assessing mineral resources in similar concealed terrains. This report presents analytical results for geochemical samples collected in 2007 from the Pebble deposit and surrounding environs. The analytical data are presented digitally both as an integrated Microsoft 2003 Access? database and as Microsoft 2003 Excel? files. The Pebble deposit is located in southwestern Alaska on state lands about 30 km (18 mi) northwest of the village of Illiamna and 320 km (200 mi) southwest of Anchorage (fig. 1). Elevations in the Pebble area range from 287 m (940 ft) at Frying Pan Lake just south of the deposit to 1146 m (3760 ft) on Kaskanak Mountain about 5 km (5 mi) to the west. The deposit is in an area of

  1. Geochemical Testing And Model Development - Residual Tank Waste Test Plan

    International Nuclear Information System (INIS)

    Cantrell, K.J.; Connelly, M.P.

    2010-01-01

    This Test Plan describes the testing and chemical analyses release rate studies on tank residual samples collected following the retrieval of waste from the tank. This work will provide the data required to develop a contaminant release model for the tank residuals from both sludge and salt cake single-shell tanks. The data are intended for use in the long-term performance assessment and conceptual model development.

  2. The outlier sample effects on multivariate statistical data processing geochemical stream sediment survey (Moghangegh region, North West of Iran)

    International Nuclear Information System (INIS)

    Ghanbari, Y.; Habibnia, A.; Memar, A.

    2009-01-01

    In geochemical stream sediment surveys in Moghangegh Region in north west of Iran, sheet 1:50,000, 152 samples were collected and after the analyze and processing of data, it revealed that Yb, Sc, Ni, Li, Eu, Cd, Co, as contents in one sample is far higher than other samples. After detecting this sample as an outlier sample, the effect of this sample on multivariate statistical data processing for destructive effects of outlier sample in geochemical exploration was investigated. Pearson and Spear man correlation coefficient methods and cluster analysis were used for multivariate studies and the scatter plot of some elements together the regression profiles are given in case of 152 and 151 samples and the results are compared. After investigation of multivariate statistical data processing results, it was realized that results of existence of outlier samples may appear as the following relations between elements: - true relation between two elements, which have no outlier frequency in the outlier sample. - false relation between two elements which one of them has outlier frequency in the outlier sample. - complete false relation between two elements which both have outlier frequency in the outlier sample

  3. Instrumental neutron activation analysis of geochemical samples by k{sub 0} standardization method using short lived nuclides

    Energy Technology Data Exchange (ETDEWEB)

    Oura, Yasuji; Kanzaki, Chinatsu; Ebihara, Mitsuru [Tokyo Metropolitan Univ., Graduate School of Science, Tokyo (Japan)

    2003-03-01

    Mg, Al, Ca, Ti, V, and Mn contents in geochemical and cosmochemical samples were analyzed by both k{sub 0} standardization INAA and conventional INAA by a comparison method. The contents of Mg, Al, and Mn by k{sub 0} method were consistent with recommended values and ones by comparison methods. For Ti and V their values are slightly higher than recommended ones. The values by k{sub 0} method were reliable within {+-}10%. (author)

  4. Improved Geothermometry Through Multivariate Reaction-path Modeling and Evaluation of Geomicrobiological Influences on Geochemical Temperature Indicators: Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Mattson, Earl [Idaho National Lab. (INL), Idaho Falls, ID (United States); Smith, Robert [Idaho National Lab. (INL), Idaho Falls, ID (United States); Fujita, Yoshiko [Idaho National Lab. (INL), Idaho Falls, ID (United States); McLing, Travis [Idaho National Lab. (INL), Idaho Falls, ID (United States); Neupane, Ghanashyam [Idaho National Lab. (INL), Idaho Falls, ID (United States); Palmer, Carl [Idaho National Lab. (INL), Idaho Falls, ID (United States); Reed, David [Idaho National Lab. (INL), Idaho Falls, ID (United States); Thompson, Vicki [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-03-01

    The project was aimed at demonstrating that the geothermometric predictions can be improved through the application of multi-element reaction path modeling that accounts for lithologic and tectonic settings, while also accounting for biological influences on geochemical temperature indicators. The limited utilization of chemical signatures by individual traditional geothermometer in the development of reservoir temperature estimates may have been constraining their reliability for evaluation of potential geothermal resources. This project, however, was intended to build a geothermometry tool which can integrate multi-component reaction path modeling with process-optimization capability that can be applied to dilute, low-temperature water samples to consistently predict reservoir temperature within ±30 °C. The project was also intended to evaluate the extent to which microbiological processes can modulate the geochemical signals in some thermal waters and influence the geothermometric predictions.

  5. Leachate Geochemical Results for Ash Samples from the June 2007 Angora Wildfire Near Lake Tahoe in Northern California

    Science.gov (United States)

    Hageman, Philip L.; Plumlee, Geoffrey S.; Martin, Deborah A.; Hoefen, Todd M.; Adams, Monique; Lamothe, Paul J.; Todorov, Todor I.; Anthony, Michael W.

    2008-01-01

    This report releases leachate geochemical data for ash samples produced by the Angora wildfire that burned from June 24 to July 2, 2007, near Lake Tahoe in northern California. The leaching studies are part of a larger interdisciplinary study whose goal is to identify geochemical characteristics and properties of the ash that may adversely affect human health, water quality, air quality, animal habitat, endangered species, debris flows, and flooding hazards. The leaching study helps characterize and understand the interactions that occur when the ash comes in contact with rain or snowmelt, and helps identify the constituents that may be mobilized as run-off from these materials. Similar leaching studies were conducted on ash and burned soils from the October 2007 southern California wildfires (Hageman and others, 2008; Plumlee and others, 2007).

  6. Release of major elements from recycled concrete aggregates and geochemical modelling

    International Nuclear Information System (INIS)

    Engelsen, Christian J.; Sloot, Hans A. van der; Wibetoe, Grethe; Petkovic, Gordana; Stoltenberg-Hansson, Erik; Lund, Walter

    2009-01-01

    The pH dependent leaching characteristics were assessed for different types of recycled concrete aggregates, including real construction debris and crushed fresh concrete samples prepared in laboratory. Carbonation effects were identified from the characteristic pH dependent leaching patterns for the major constituents Al, Ca, Fe, Mg, Si and SO 4 2- . The original particle size ranges were different for the samples investigated and this factor influenced the cement paste content in the samples which in turn controlled the leachable contents. Cement paste contents for concrete samples with fine particle size fractions (0-4 mm) were found to be higher than the originally present amount in the hardened concrete. Geochemical speciation modelling was applied over the entire pH range using the speciation and transport modelling framework ORCHESTRA, for which mineral saturation, solution speciation and sorption processes can be calculated based on equilibrium models and thermodynamic data. The simulated equilibrium concentrations by this model agreed well with the respective measured concentrations. The main differences between the fresh and aged materials were quantified, described and predicted by the ORCHESTRA. Solubility controlling mineral phase assemblages were calculated by the model as function of pH. Cement hydrate phases such as calcium silicate hydrate, calcium aluminate hydrate (AFm and AFt) and hydrogarnet were predominating at the material pH. The concentration of carboaluminates was found to be strongly dependent on the available carbonates in the samples. As the pH was decreased these phases decomposed to more soluble species or precipitates were formed including iron- and aluminium hydroxides, wairakite and amorphous silica. In the most acid region most phases dissolved, and the major elements were approaching maximum leachability, which was determined by the amount of cement paste.

  7. 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

  8. 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.

  9. Evaluation and prediction of oil biodegradation: a novel approach integrating geochemical and basin modeling techniques in offshore Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Baudino, Roger [YPF S.A. (Argentina); Santos, Glauce Figueiredo dos; Losilla, Carlos; Cabrera, Ricardo; Loncarich, Ariel; Gavarrino, Alejandro [RepsolYPF do Brasil, Sao Paulo, SP (Brazil)

    2008-07-01

    Oil fields accounting for a large portion of the world reserves are severely affected by biological degradation. In Brazil, giant fields of the Campos Basin are producing biodegraded oils with widely variable fluid characteristics (10 to 40 deg API) and no apparent logical distribution nor predictability. Modern geochemical techniques allow defining the level of biodegradation. When original (non-degraded) oil samples and other with varying degradation level are available it might be possible to define a distribution trend and to relate it to present day geological factors such as temperature and reservoir geometry. However, other critical factors must be taken into account. But most of all, it is fundamental to have a vision in time of their evolution. This can only be achieved through 3D Basin Models coupled with modern visualization tools. The multi-disciplinary work-flow described here integrates three-dimensional numerical simulations with modern geochemical analyses. (author)

  10. Modeling ion exchange in clinoptilolite using the EQ3/6 geochemical modeling code

    International Nuclear Information System (INIS)

    Viani, B.E.; Bruton, C.J.

    1992-06-01

    Assessing the suitability of Yucca Mtn., NV as a potential repository for high-level nuclear waste requires the means to simulate ion-exchange behavior of zeolites. Vanselow and Gapon convention cation-exchange models have been added to geochemical modeling codes EQ3NR/EQ6, allowing exchange to be modeled for up to three exchangers or a single exchanger with three independent sites. Solid-solution models that are numerically equivalent to the ion-exchange models were derived and also implemented in the code. The Gapon model is inconsistent with experimental adsorption isotherms of trace components in clinoptilolite. A one-site Vanselow model can describe adsorption of Cs or Sr on clinoptilolite, but a two-site Vanselow exchange model is necessary to describe K contents of natural clinoptilolites

  11. Geochemical reanalysis of historical U.S. Geological Survey sediment samples from the northeastern Alaska Range, Healy, Mount Hayes, Nabesna, and Tanacross 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 670 historical USGS sediment samples from the statewide Alaska Geochemical Database Version 2.0 (AGDB2; Granitto and others, 2013). Samples were chosen from the northeastern Alaska Range, in the Healy, Mount Hayes, Nabesna, and Tanacross 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

  12. Geochemical reanalysis of historical U.S. Geological Survey sediment samples from the Kougarok area, Bendeleben and Teller quadrangles, Seward Peninsula, 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 302 historical USGS sediment samples from the statewide Alaska Geochemical Database Version 2.0 (AGDB2; Granitto and others, 2013). Samples were chosen from the Kougarok River drainage as well as smaller adjacent drainages in the Bendeleben and Teller quadrangles, Seward Peninsula, 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

  13. Delineation of geochemical anomalies based on stream sediment data utilizing fractal modeling and staged factor analysis

    Science.gov (United States)

    Afzal, Peyman; Mirzaei, Misagh; Yousefi, Mahyar; Adib, Ahmad; Khalajmasoumi, Masoumeh; Zarifi, Afshar Zia; Foster, Patrick; Yasrebi, Amir Bijan

    2016-07-01

    Recognition of significant geochemical signatures and separation of geochemical anomalies from background are critical issues in interpretation of stream sediment data to define exploration targets. In this paper, we used staged factor analysis in conjunction with the concentration-number (C-N) fractal model to generate exploration targets for prospecting Cr and Fe mineralization in Balvard area, SE Iran. The results show coexistence of derived multi-element geochemical signatures of the deposit-type sought and ultramafic-mafic rocks in the NE and northern parts of the study area indicating significant chromite and iron ore prospects. In this regard, application of staged factor analysis and fractal modeling resulted in recognition of significant multi-element signatures that have a high spatial association with host lithological units of the deposit-type sought, and therefore, the generated targets are reliable for further prospecting of the deposit in the study area.

  14. Modelling of leaching and geochemical processes in an aged MSWIBA subbase layer

    Energy Technology Data Exchange (ETDEWEB)

    Bendz, David; Suer, Pascal; Sloot, Hans van der; Kosson, David; Flyhammar, Peter

    2009-07-15

    In a previous project, the accumulated effects of leaching and aging in a subbase layer of bottom ash in a test road were investigated. The test road were constructed in 1987 in Linkoeping, Sweden, and was in use until the start of the Vaendoera Q4-241 study in September 2003. The overall objective of the present study is to bring the evaluation of the previous project (Q4-241) further by taking advantage of the existing data, perform complementary laboratory experiments on four composite samples reflecting different degree of exposure to atmosphere and leaching. The specific objectives were to investigate: (i) what processes and mineral phases that govern leaching of macro- and trace elements and DOC in the bottom ash after 16 years (1987- 2003) of aging under field conditions. (ii) how the hydrologic conditions, infiltration of water and leachate production has evolved with time. The following tests were performed on the composite samples: pH-stat test, column test, Fe/Al oxide extraction and TOC fractioning. Geochemical and hydrological modelling where performed with LeachXS/Orchestra and Hydrus 2-D. Daily precipitation data from the Swedish Meteorological and Hydrological Institute (SMHI) from the Malmslaett (Linkoeping) measurement station was used in the hydrological modelling of January 1988 to the 1st of september 2003. The hydraulic modeling results show that the bottom ash subbase layer endure seasonal wet and dry cycles. The results confirm that, depending on the boundary conditions along the shoulders the capillary potential may drive moisture either in or out of the road body. The water retention parameters for bottom ash were crucial in the hydraulic modeling and the capillary forces in bottom ash were found to be significant with a water retention curve close to silt. This explains the observed depletion of easily soluble salts in the test road. The results showed that the accumulated LS ratio for the bottom ash subbase layer reached about LS:10 in

  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. Geochemical modelling of groundwater evolution and residence time at the Haestholmen site

    Energy Technology Data Exchange (ETDEWEB)

    Pitkaenen, P.; Luukkonen, A. [VTT Communities and Infrastructure, Espoo (Finland); Ruotsalainen, P. [Fintact Oy, Helsinki (Finland); Leino- Forsman, H.; Vuorinen, U. [VTT Chemical Technology, Espoo (Finland)

    2001-01-01

    An understanding of the geochemical evolution of groundwater is an essential part of the performance assessment and safety analysis of the geological final disposal of radioactive waste. The performance of technical barriers and migration of possibly released radionuclides depend on the geochemical conditions. A prerequisite for understanding these factors is the ability to specify the water-rock interactions that control chemical conditions in groundwater. The objective of this study is to interpret the processes and factors that control the hydrogeochemistry, such as pH and redox conditions. A model of the hydrogeochemical progress in different parts of the crystalline bedrock at Haestholmen has been created and the significance of geochemical reactions and groundwater mixing along different flow paths calculated. Long term hydrodynamics have also been evaluated. The interpretation and modelling are based on water samples (64 altogether) obtained from precipitation, the Baltic Sea, the soil layer, shallow wells in the bedrock, and 14 deep boreholes in the bedrock for which a comprehensive data set on dissolved chemical species and isotopes was available. Some analyses of dissolved gases and their isotopic measurements were also utilised. The data covers the bedrock at Haestholmen to a depth of 1000 m. The results from groundwater chemistry, isotopes, petrography, hydrogeology of the site, geomicrobial studies, and PCA and speciation calculations were used to evaluate evolutionary processes at the site. The geochemical interpretation of water-rock interaction, isotope-chemical evolution ({delta}{sup 13}C and {delta}{sup 34}S) and mixing of palaeo-water types were approached by mass-balance calculations (NETPATH). Reaction-path calculations (EQ3/6) were used to verify the thermodynamic feasibility of the reaction models obtained. The interpretation and calculation of hydrochemical data from Haestholmen suggest that changes in external conditions, such as glaciation

  17. Modelling of Pesticide Transport During An Injection Experiment In A Physical and Geochemical Heterogeneous Aquifer

    Science.gov (United States)

    Hojberg, A. L.; Engesgaard, P.; Bjerg, P. L.

    The fate of selected pesticides under natural groundwater conditions was studied by natural gradient short and long term injection experiments in a shallow uncon- fined aerobic aquifer. Bentazone, DNOC, MCPP, dichlorprop, isoproturon, and BAM (dichlobenil metabolite) were injected in aqueous solution with bromide as a nonre- active tracer. The Bromide and pesticide plumes were sampled during the initial 25 m of migration in a dense monitoring net of multilevel samplers. The aquifer was physical and geochemical heterogeneous, which affected transport of several of the pesticides. A 3D reactive transport code was developed including one- and two-site linear/nonlinear equilibrium/nonequilibrium sorption and first-order as well as single Monod degradation kinetic coupled to microbial growth. Model simulations demon- strated that microbial growth was likely supported by the phenoxy acids MCPP and dichlorprop, while degradation of DNOC was adequately described by first-order degradation with no initial lag time. An observed vertical increase in pH was observed at the site and implemented in the transport code. The numerical analysis indicated that degradation of the three degradable pesticides may have been affected by vertical pH variations. Spatial variability in observed DNOC sorption was similarly suspected to be an effect of varying pH. pH dependency on DNOC sorption was confirmed by the model recognized by a match to observed breakthrough at the individual sampling points, when pH variation was included in the simulations.

  18. Geochemical modelling of hydrogen gas migration in an unsaturated bentonite buffer

    NARCIS (Netherlands)

    Sedighi, M.; Thomas, H.R.; Al Masum, S.; Vardon, P.J.; Nicholson, D.; Chen, Q.

    2014-01-01

    This paper presents an investigation of the transport and fate of hydrogen gas through compacted bentonite buffer. Various geochemical reactions that may occur in the multiphase and multicomponent system of the unsaturated bentonite buffer are considered. A reactive gas transport model, developed

  19. Research needs for coupling geochemical and flow models for nuclear waste isolation

    International Nuclear Information System (INIS)

    Pearson, F.J. Jr.

    1985-01-01

    An overview of coupling geochemical and flow models for nuclear waste disposal is presented and research needs are discussed. Topics considered include, chemical effects on flow, fluid and rock properties, pressure effects, water-rock equilibria, and reaction kinetics. 25 references

  20. Adsorption of phosphate from municipal effluents using cryptocrystalline magnesite: complementing laboratory results with geochemical modelling

    CSIR Research Space (South Africa)

    Masindi, Vhahangwele

    2015-11-01

    Full Text Available chemisorption. Adsorption isotherms fitted well to Langmuir adsorption isotherm than Freundlich adsorption isotherms, demonstrating monolayer adsorption. PHREEQC geochemical model showed Mg(sub3)(PO(sub4))(sub2) and MgHPO(sub4):3H(sub2)O as the phosphatebearing...

  1. 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

  2. Geochemical modelling of groundwater evolution and residence time at the Kivetty site

    Energy Technology Data Exchange (ETDEWEB)

    Pitkaenen, P.; Luukkonen, A. [VTT Communities and Infrastructure, Espoo (Finland); Ruotsalainen, P. [Fintact Oy, Helsinki (Finland); Leino-Forsman, H.; Vuorinen, U. [VTT Chemical Technology, Espoo (Finland)

    1998-12-01

    An understanding of the geochemical evolution of groundwater is an essential part of the performance assessment and safety analysis of the final disposal of radioactive waste into the bedrock. The performance of technical barriers and migration of possibly released radionuclides depend on chemical conditions. A prerequisite for understanding these factors is the ability to specify the water-rock interactions which control chemical conditions in groundwater. The objective of this study is to interpret the processes and factors which control the hydrogeochemistry, such as pH and redox conditions. A model of the hydrogeochemical progress in different parts of the bedrock at Kivetty has been created and the significance of chemical reactions along different flowpaths calculated. Long term hydrodynamics have also been evaluated. The interpretation and modelling are based on groundwater samples (38 altogether) obtained from the soil layer, shallow wells in the bedrock, and five deep multi-packered boreholes (KRI-KR5) in the bedrock for which a comprehensive data set on dissolved chemical species and isotopes was available. Some analyses of dissolved gases and their isotopic measurements were also utilised. The data covers the bedrock at Kivetty to a depth of 850m. The results from groundwater chemistry, isotopes, petrography, hydrogeology of the site, geomicrobial studies, and PCA and speciation calculations were used in the evaluation of evolutionary processes at the site. The geochemical interpretation of water-rock interaction, isotope-chemical evolution and C-14 age calculations of groundwater was given a mass-balance approach (NETPATH). Reaction-path calculations (EQ3/6) were used to verify the thermodynamic feasibility of the reaction models obtained. The hydrogeochemistry of Kivetty is characterised by evolution from low-saline-carbonate-rich recharge water towards Na-Ca-Cl-type water. The salinity remains low. The most important changes in the chemistry of the

  3. Geochemical modelling of groundwater evolution and residence time at the Kivetty site

    International Nuclear Information System (INIS)

    Pitkaenen, P.; Luukkonen, A.; Ruotsalainen, P.; Leino-Forsman, H.; Vuorinen, U.

    1998-12-01

    An understanding of the geochemical evolution of groundwater is an essential part of the performance assessment and safety analysis of the final disposal of radioactive waste into the bedrock. The performance of technical barriers and migration of possibly released radionuclides depend on chemical conditions. A prerequisite for understanding these factors is the ability to specify the water-rock interactions which control chemical conditions in groundwater. The objective of this study is to interpret the processes and factors which control the hydrogeochemistry, such as pH and redox conditions. A model of the hydrogeochemical progress in different parts of the bedrock at Kivetty has been created and the significance of chemical reactions along different flowpaths calculated. Long term hydrodynamics have also been evaluated. The interpretation and modelling are based on groundwater samples (38 altogether) obtained from the soil layer, shallow wells in the bedrock, and five deep multi-packered boreholes (KRI-KR5) in the bedrock for which a comprehensive data set on dissolved chemical species and isotopes was available. Some analyses of dissolved gases and their isotopic measurements were also utilised. The data covers the bedrock at Kivetty to a depth of 850m. The results from groundwater chemistry, isotopes, petrography, hydrogeology of the site, geomicrobial studies, and PCA and speciation calculations were used in the evaluation of evolutionary processes at the site. The geochemical interpretation of water-rock interaction, isotope-chemical evolution and C-14 age calculations of groundwater was given a mass-balance approach (NETPATH). Reaction-path calculations (EQ3/6) were used to verify the thermodynamic feasibility of the reaction models obtained. The hydrogeochemistry of Kivetty is characterised by evolution from low-saline-carbonate-rich recharge water towards Na-Ca-Cl-type water. The salinity remains low. The most important changes in the chemistry of the

  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 modelling of CO2-water-rock interactions for carbon storage : data requirements and outputs

    International Nuclear Information System (INIS)

    Kirste, D.

    2008-01-01

    A geochemical model was used to predict the short-term and long-term behaviour of carbon dioxide (CO 2 ), formation water, and reservoir mineralogy at a carbon sequestration site. Data requirements for the geochemical model included detailed mineral petrography; formation water chemistry; thermodynamic and kinetic data for mineral phases; and rock and reservoir physical characteristics. The model was used to determine the types of outputs expected for potential CO 2 storage sites and natural analogues. Reaction path modelling was conducted to determine the total reactivity or CO 2 storage capability of the rock by applying static equilibrium and kinetic simulations. Potential product phases were identified using the modelling technique, which also enabled the identification of the chemical evolution of the system. Results of the modelling study demonstrated that changes in porosity and permeability over time should be considered during the site selection process.

  6. 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.

  7. Quantification of source-term profiles from near-field geochemical models

    International Nuclear Information System (INIS)

    McKinley, I.G.

    1985-01-01

    A geochemical model of the near-field is described which quantitatively treats the processes of engineered barrier degradation, buffering of aqueous chemistry by solid phases, nuclide solubilization and transport through the near-field and release to the far-field. The radionuclide source-terms derived from this model are compared with those from a simpler model used for repository safety analysis. 10 refs., 2 figs., 2 tabs

  8. Geochemical tracing and hydrogeochemical modelling of water-rock interactions during salinization of alluvial groundwater (Upper Rhine Valley, France)

    Energy Technology Data Exchange (ETDEWEB)

    Lucas, Y., E-mail: yann.lucas@eost.u-strasbg.fr [Universite de Strasbourg et CNRS, Laboratoire d' Hydrologie et de Geochimie de Strasbourg, Ecole et Observatoire des Sciences de la Terre, 1, rue Blessig, 67084 Strasbourg Cedex (France); Schmitt, A.D., E-mail: anne-desiree.schmitt@univ-fcomte.fr [Universite de Strasbourg et CNRS, Laboratoire d' Hydrologie et de Geochimie de Strasbourg, Ecole et Observatoire des Sciences de la Terre, 1, rue Blessig, 67084 Strasbourg Cedex (France)] [Universite de Franche-Comte et CNRS-UMR 6249, Chrono-Environnement, 16, Route de Gray, 25030 Besancon Cedex (France); Chabaux, F., E-mail: francois.chabaux@eost.u-strasbg.fr [Universite de Strasbourg et CNRS, Laboratoire d' Hydrologie et de Geochimie de Strasbourg, Ecole et Observatoire des Sciences de la Terre, 1, rue Blessig, 67084 Strasbourg Cedex (France); Clement, A.; Fritz, B. [Universite de Strasbourg et CNRS, Laboratoire d' Hydrologie et de Geochimie de Strasbourg, Ecole et Observatoire des Sciences de la Terre, 1, rue Blessig, 67084 Strasbourg Cedex (France); Elsass, Ph. [BRGM, GEODERIS, 1, rue Claude Chappe, 57070 Metz (France); Durand, S. [Universite de Strasbourg et CNRS, Laboratoire d' Hydrologie et de Geochimie de Strasbourg, Ecole et Observatoire des Sciences de la Terre, 1, rue Blessig, 67084 Strasbourg Cedex (France)

    2010-11-15

    that a small contribution of calcite precipitation/dissolution takes places whereas other secondary mineral precipitation or host rock mineral dissolution do not play a significant role in the geochemical signature of the studied groundwater samples. Application of the model demonstrates that it is necessary to consider the pollution history to explain the important Cl, Na and Ca concentration modifications in groundwater samples taken over 2 km downstream of waste heaps. Additionally, the model shows that the rapidity of the cationic exchange reactions insures a reversibility of the cation fixation on clays in the aquifer.

  9. Detecting and Quantifying Paleoseasonality in Stalagmites using Geochemical and Modelling Approaches

    Science.gov (United States)

    Baldini, J. U. L.

    2017-12-01

    Stalagmites are now well established sources of terrestrial paleoclimate information, providing insights into climate change on a variety of timescales. One of the most exciting aspects of stalagmites as climate archives is their ability to provide information regarding seasonality, a notoriously difficult component of climate change to characterise. However, stalagmite geochemistry may reflect not only the most apparent seasonal signal in external climate parameters, but also cave-specific signals such as seasonal changes in cave air carbon dioxide concentrations, sudden shifts in ventilation, and stochastic hydrological processes. Additionally, analytical bias may dampen or completely obfuscate any paleoseasonality, highlighting the need for appropriate quantification of this issue using simple models. Evidence from stalagmites now suggests that a seasonal signal is extractable from many samples, and that this signal can provide an important extra dimension to paleoclimate interpretations. Additionally, lower resolution annual- to decadal-scale isotope ratio records may also reflect shifts in seasonality, but identifying these is often challenging. Integrating geochemical datasets with models and cave monitoring data can greatly increase the accuracy of climate reconstructions, and yield the most robust records.

  10. A conceptual geochemical model of the geothermal system at Surprise Valley, CA

    Science.gov (United States)

    Fowler, Andrew P. G.; Ferguson, Colin; Cantwell, Carolyn A.; Zierenberg, Robert A.; McClain, James; Spycher, Nicolas; Dobson, Patrick

    2018-03-01

    Characterizing the geothermal system at Surprise Valley (SV), northeastern California, is important for determining the sustainability of the energy resource, and mitigating hazards associated with hydrothermal eruptions that last occurred in 1951. Previous geochemical studies of the area attempted to reconcile different hot spring compositions on the western and eastern sides of the valley using scenarios of dilution, equilibration at low temperatures, surface evaporation, and differences in rock type along flow paths. These models were primarily supported using classical geothermometry methods, and generally assumed that fluids in the Lake City mud volcano area on the western side of the valley best reflect the composition of a deep geothermal fluid. In this contribution, we address controls on hot spring compositions using a different suite of geochemical tools, including optimized multicomponent geochemistry (GeoT) models, hot spring fluid major and trace element measurements, mineralogical observations, and stable isotope measurements of hot spring fluids and precipitated carbonates. We synthesize the results into a conceptual geochemical model of the Surprise Valley geothermal system, and show that high-temperature (quartz, Na/K, Na/K/Ca) classical geothermometers fail to predict maximum subsurface temperatures because fluids re-equilibrated at progressively lower temperatures during outflow, including in the Lake City area. We propose a model where hot spring fluids originate as a mixture between a deep thermal brine and modern meteoric fluids, with a seasonally variable mixing ratio. The deep brine has deuterium values at least 3 to 4‰ lighter than any known groundwater or high-elevation snow previously measured in and adjacent to SV, suggesting it was recharged during the Pleistocene when meteoric fluids had lower deuterium values. The deuterium values and compositional characteristics of the deep brine have only been identified in thermal springs and

  11. Application of the PHREEQC geochemical computer model during the design and operation of UK mine water treatment schemes

    Energy Technology Data Exchange (ETDEWEB)

    Croxford, S.J.; England, A.; Jarvis, A.P. [IMC White Young Green Engineering and Environment, Sutton-in-Ashfield (United Kingdom)

    2004-07-01

    The UK Coal Authority operates more than 20 full-scale mine water treatment schemes. The PHREEQC geochemical model has been used during the design and operation of two of the UK Coal Authority's treatment systems to assess whether it is possible to more accurately predict the fate and behaviour of contaminants through the treatment process. These systems are at Frances Colliery, Fife, Scotland, and at Horden Colliery, County Durham, England. The characteristics of the mine water at these sites, and the treatment systems installed to remediate them, are described. At Frances Colliery the following issues have been investigated using the PHREEQC model: determination of optimum alkali dose rate; and investment of secondary mineralization that causes pipe fouling. At Horden Colliery areas investigated using the PHREEQC model are: prediction of sludge volume production for various alkali reagents; predication of the influence of elevated carbon dioxide partial pressures on alkali requirements; and influence of elevated chloride concentration on sludge characteristics and production. The results of the investigation are presented and discussed. The study suggests that geochemical modelling may be a useful tool in determining both the geochemical processes occurring within a mine water treatment system and ultimately the likely costs involved during the operation of a particular scheme. Plans for future work include further validation of the PHREEQC model predictions by careful sampling and analysis of water chemistry and secondary mineral phases through the treatment systems. In the future it is hoped that the PHREEQC model may become a useful tool in the design phase of mine water treatment systems. 7 refs., 8 tabs.

  12. 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)

  13. Geochemical drainage surveys for uranium: sampling and analytical methods based on trial surveys in Pennsylvania

    International Nuclear Information System (INIS)

    Rose, A.W.; Keith, M.L.; Suhr, N.H.

    1976-01-01

    Geochemical surveys near sandstone-type uranium prospects in northeastern and north-central Pennsylvania show that the deposits can be detected by carefully planned stream sediment surveys, but not by stream water surveys. Stream waters at single sites changed in U content by x10 to 50 during the 18 months of our studies, and even near known prospects, contain less than 0.2 ppB U most of the time. Uranium extractable from stream sediment by acetic acid--H 2 O 2 provides useful contrast between mineralized and nonmineralized drainages of a square mile or less; total U in sediment does not. High organic material results in increased U content of sediments and must be corrected. Changes in U content of sediment with time reach a maximum of x3 and appear to be of short duration. A sediment of about 200 mi 2 near Jim Thorpe detects anomalies extending over several square miles near known occurrences and a second anomaly about two miles northeast of Penn Haven Jct. A similar survey in Lycoming-Sullivan Counties shows anomalous zones near known prospects of the Beaver Lake area and northwest of Muncy Creek. As, Mn, Pb, and V are enriched in the mineralized zones, and perhaps in surrounding halo zones, but do not appear to be pathfinder elements useful for reconnaissance exploration

  14. Modeling of coupled geochemical and transport processes: An overview

    International Nuclear Information System (INIS)

    Carnahan, C.L.

    1989-10-01

    Early coupled models associated with fluid flow and solute transport have been limited by assumed conditions of constant temperature, fully saturated fluid flow, and constant pore fluid velocity. Developments including coupling of chemical reactions to variable fields of temperature and fluid flow have generated new requirements for experimental data. As the capabilities of coupled models expand, needs are created for experimental data to be used for both input and validation. 25 refs

  15. 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

  16. Geochemical reanalysis of historical U.S. Geological Survey sediment samples from the Haines area, Juneau and Skagway quadrangles, southeast 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 212 historical USGS sediment samples from the statewide Alaska Geochemical Database Version 2.0 (AGDB2; Granitto and others, 2013). Samples were chosen from the Chilkat, Klehini, Tsirku, and Takhin river drainages, as well as smaller drainages flowing into Chilkat and Chilkoot Inlets near Haines, Skagway Quadrangle, Southeast Alaska. Additionally some samples were also chosen from the Juneau gold belt, Juneau Quadrangle, Southeast 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

  17. Prospective and retrospective spatial sampling scheme to characterize geochemicals in a mine tailings area

    CSIR Research Space (South Africa)

    Debba, Pravesh

    2009-07-01

    Full Text Available This study demonstrates that designing sampling schemes using simulated annealing results in much better selection of samples from an existing scheme in terms of prediction accuracy. The presentation to the SASA Eastern Cape Chapter as an invited...

  18. Geochemical modelling of the groundwater at the Olkiluoto site

    International Nuclear Information System (INIS)

    Pitkaenen, P.; Snellman, M.; Leino-Forsman, H.; Vuorinen, U.

    1994-04-01

    A preliminary model for probable processes responsible for the evolution of the groundwater at the nuclear waste investigation site Olkiluoto (in Finland) is presented. The hydrological data was collected from boreholes drilled down to 1000-m depth into crystalline bedrock. Based on chemical, isotopic, petrographic and hydrological data as well as ion plots and speciation calculations with PHREEQE the thermodynamic controls on the water composition and trends constraining these processes are evaluated. In order to determine the reactions which can explain the changes along the flow path during the evolution of groundwater system and to determine to which extent these reactions take place, mass-balance calculations with the NETPATH program were used. Mass transfer calculations with the EQ6 program were used to test the feasibility of the model derived, to predict reaction paths and composition of equilibrium solutions for the redox reactions. (57 refs., 43 figs., 10 tabs.)

  19. Multi-elemental analysis of aqueous geochemical samples by quadrupole inductively coupled plasma-mass spectrometry (ICP-MS)

    Science.gov (United States)

    Wolf, Ruth E.; Adams, Monique

    2015-01-01

    Typically, quadrupole inductively coupled plasma-mass spectrometry (ICP-MS) is used to determine as many as 57 major, minor, and trace elements in aqueous geochemical samples, including natural surface water and groundwater, acid mine drainage water, and extracts or leachates from geological samples. The sample solution is aspirated into the inductively coupled plasma (ICP) which is an electrodeless discharge of ionized argon gas at a temperature of approximately 6,000 degrees Celsius. The elements in the sample solution are subsequently volatilized, atomized, and ionized by the ICP. The ions generated are then focused and introduced into a quadrupole mass filter which only allows one mass to reach the detector at a given moment in time. As the settings of the mass analyzer change, subsequent masses are allowed to impact the detector. Although the typical quadrupole ICP-MS system is a sequential scanning instrument (determining each mass separately), the scan speed of modern instruments is on the order of several thousand masses per second. Consequently, typical total sample analysis times of 2–3 minutes are readily achievable for up to 57 elements.

  20. GEMSFITS: Code package for optimization of geochemical model parameters and inverse modeling

    International Nuclear Information System (INIS)

    Miron, George D.; Kulik, Dmitrii A.; Dmytrieva, Svitlana V.; Wagner, Thomas

    2015-01-01

    Highlights: • Tool for generating consistent parameters against various types of experiments. • Handles a large number of experimental data and parameters (is parallelized). • Has a graphical interface and can perform statistical analysis on the parameters. • Tested on fitting the standard state Gibbs free energies of aqueous Al species. • Example on fitting interaction parameters of mixing models and thermobarometry. - Abstract: GEMSFITS is a new code package for fitting internally consistent input parameters of GEM (Gibbs Energy Minimization) geochemical–thermodynamic models against various types of experimental or geochemical data, and for performing inverse modeling tasks. It consists of the gemsfit2 (parameter optimizer) and gfshell2 (graphical user interface) programs both accessing a NoSQL database, all developed with flexibility, generality, efficiency, and user friendliness in mind. The parameter optimizer gemsfit2 includes the GEMS3K chemical speciation solver ( (http://gems.web.psi.ch/GEMS3K)), which features a comprehensive suite of non-ideal activity- and equation-of-state models of solution phases (aqueous electrolyte, gas and fluid mixtures, solid solutions, (ad)sorption. The gemsfit2 code uses the robust open-source NLopt library for parameter fitting, which provides a selection between several nonlinear optimization algorithms (global, local, gradient-based), and supports large-scale parallelization. The gemsfit2 code can also perform comprehensive statistical analysis of the fitted parameters (basic statistics, sensitivity, Monte Carlo confidence intervals), thus supporting the user with powerful tools for evaluating the quality of the fits and the physical significance of the model parameters. The gfshell2 code provides menu-driven setup of optimization options (data selection, properties to fit and their constraints, measured properties to compare with computed counterparts, and statistics). The practical utility, efficiency, and

  1. 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

    One of the greatest environmental and social-economics threats is climate change. This topic, in the next few years, will have a significant impact on the availability of water resources of many regions. This is compounded by the strong anthropization of water systems that shows an intensification of conflicts for water resource exploitation. Therefore, it is necessary a sustainable manage of natural resources thorough knowledge of the hosting territories. The development of investigation and data processing methods are essential to reduce costs for the suitable use and protection of resources. Identify a sample area for testing the best approach is crucial. This research aims to find a valid methodology for the characterization, modeling and management of subalpine urban aquifers, and the urban district of Como appears perfect. The city of Como is located at the southern end of the western sector of Lake Como (N Italy). It is a coastal town, placed on a small alluvial plain, therefore in close communication with the lake. The plain is drained by two streams, which are presently artificially buried, and have an underground flow path in the urban section till the mouth. This city area, so, is suitable for this project as it is intensely urbanized, its dimensions is not too extensive and it is characterized by two aquifers very important and little known. These are a shallow aquifer and a deep aquifer, which are important not only for any water supply, but also for the stability of the ground subsidence in the city. This research is also the opportunity to work in a particular well-known area with high scientific significance; however, there is complete absence of information regarding the deep aquifer. Great importance has also the chosen and used of the more powerful open source software for this type of area, such as PHREEQC, EnvironInsite, PHREEQE etc., used for geological and geochemical data processing. The main goal of this preliminary work is the

  2. 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

  3. 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

  4. 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.

  5. Simulation of radionuclide retardation at Yucca Mountain using a stochastic mineralogical/geochemical model

    International Nuclear Information System (INIS)

    Birdsell, K.H.; Campbell, K.; Eggert, K.; Travis, B.J.

    1990-01-01

    This paper presents preliminary transport calculations for radionuclide movement at Yucca Mountain. Several different realizations of spatially distributed sorption coefficients are used to study the sensitivity of radionuclide migration. These sorption coefficients are assumed to be functions of the mineralogic assemblages of the underlying rock. The simulations were run with TRACRN 1 , a finite-difference porous flow and radionuclide transport code developed for the Yucca Mountain Project. Approximately 30,000 nodes are used to represent the unsaturated and saturated zones underlying the repository in three dimensions. Transport calculations for a representative radionuclide cation, 135 Cs, and anion, 99 Tc, are presented. Calculations such as these will be used to study the effectiveness of the site's geochemical barriers at a mechanistic level and to help guide the geochemical site characterization program. The preliminary calculations should be viewed as a demonstration of the modeling methodology rather than as a study of the effectiveness of the geochemical barriers. The model provides a method for examining the integration of flow scenarios with transport and retardation processes as currently understood for the site. The effects on transport of many of the processes thought to be active at Yucca Mountain may be examined using this approach. 11 refs., 14 figs., 1 tab

  6. Pilot studies for the North American Soil Geochemical Landscapes Project - Site selection, sampling protocols, analytical methods, and quality control protocols

    Science.gov (United States)

    Smith, D.B.; Woodruff, L.G.; O'Leary, R. M.; Cannon, W.F.; Garrett, R.G.; Kilburn, J.E.; Goldhaber, M.B.

    2009-01-01

    In 2004, the US Geological Survey (USGS) and the Geological Survey of Canada sampled and chemically analyzed soils along two transects across Canada and the USA in preparation for a planned soil geochemical survey of North America. This effort was a pilot study to test and refine sampling protocols, analytical methods, quality control protocols, and field logistics for the continental survey. A total of 220 sample sites were selected at approximately 40-km intervals along the two transects. The ideal sampling protocol at each site called for a sample from a depth of 0-5 cm and a composite of each of the O, A, and C horizons. The Ca, Fe, K, Mg, Na, S, Ti, Ag, As, Ba, Be, Bi, Cd, Ce, Co, Cr, Cs, Cu, Ga, In, La, Li, Mn, Mo, Nb, Ni, P, Pb, Rb, Sb, Sc, Sn, Sr, Te, Th, Tl, U, V, W, Y, and Zn by inductively coupled plasma-mass spectrometry and inductively coupled plasma-atomic emission spectrometry following a near-total digestion in a mixture of HCl, HNO3, HClO4, and HF. Separate methods were used for Hg, Se, total C, and carbonate-C on this same size fraction. Only Ag, In, and Te had a large percentage of concentrations below the detection limit. Quality control (QC) of the analyses was monitored at three levels: the laboratory performing the analysis, the USGS QC officer, and the principal investigator for the study. This level of review resulted in an average of one QC sample for every 20 field samples, which proved to be minimally adequate for such a large-scale survey. Additional QC samples should be added to monitor within-batch quality to the extent that no more than 10 samples are analyzed between a QC sample. Only Cr (77%), Y (82%), and Sb (80%) fell outside the acceptable limits of accuracy (% recovery between 85 and 115%) because of likely residence in mineral phases resistant to the acid digestion. A separate sample of 0-5-cm material was collected at each site for determination of organic compounds. A subset of 73 of these samples was analyzed for a suite of

  7. 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

  8. Geochemical and mineralogical study of selected weathered samples from Olkiluoto site

    International Nuclear Information System (INIS)

    Lindberg, A.

    2009-02-01

    Optical microscopy, chemical analyses and X-ray diffraction method were used to study the influence of weathering from 11 drill core samples from shallow depths (< 25 m). The samples, 4 to 22 cm in length were drilled from Olkiluoto study site, Eurajoki, and they represent the common rock types of local bedrock: mica gneiss, tonalitic and granodioritic gneiss. Two of the samples were macroscopically unweathered and 9 of them were remarkably altered. The alteration was shown as porosity, the abundance of chlorite instead of biotite and pink, unclear feldspars. Many samples also contained red-brown hematite and fractures, some of them coated with secondary minerals, even clay. Microscopically the most visible feature of weathering was the total alteration of plagioclase and cordierite to sericite. In many samples also biotite was richly altered to chlorite and opaque minerals. Microfractures were common and they were filled by hematite, kaolinite and fine-grained muscovite (sericite). Hematite was, in some cases, also largely replacing the weathered minerals, feldspars and cordierite. Chemical alteration was not clear, because the alteration of main minerals have produced secondary minerals with almost the same chemical composition without any reasonable depleting or enrichment of certain elements. X-ray diffraction determination of samples proved, that often plagioclase was replaced by mica and biotite by chlorite. In some cases the samples contained products of chemical weathering, kaolinite and smectite. (orig.)

  9. 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.

  10. Regional geochemical maps of the Tonopah 1 degree by 2 degrees Quadrangle, Nevada, based on samples of stream sediment and nonmagnetic heavy-mineral concentrate

    Science.gov (United States)

    Nash, J.T.; Siems, D.F.

    1988-01-01

    This report is part of a series of geologic, geochemical, and geophysical maps of the Tonopah 1° x 2° quadrangle, Nevada, prepared during studies of the area for the Conterminous United States Mineral Assessment Program (CUSMAP). Included here are 21 maps showing the distributions of selected elements or combinations of elements. These regional geochemical maps are based on chemical analyses of the minus-60 mesh (0.25 mm) fraction of stream-sediment samples and the nonmagnetic heavy-mineral concentrate derived from stream sediment. Stream sediments were collected at 1,217 sites. Our geochemical studies of mineralized rock samples provide a framework for evaluating the results from stream sediments.

  11. Geochemical sampling scheme optimization on mine wastes based on hyperspectral data

    CSIR Research Space (South Africa)

    Zhao, T

    2008-07-01

    Full Text Available decontamination, for example, acid-generating minerals. Acid rock drainage can adversely have an impact on the quality of drinking water and the health of riparian ecosystems. To assess or monitor environmental impact of mining, sampling of mine waste is required...

  12. A conceptual model for groundwater flow and geochemical evolution in the southern Outaouais Region, Québec, Canada

    International Nuclear Information System (INIS)

    Montcoudiol, N.; Molson, J.; Lemieux, J.-M.; Cloutier, V.

    2015-01-01

    Highlights: • Geochemical and isotope data help constrain the 2D conceptual flow model. • Stable isotopes indicate recharge occurring under conditions similar to current climate. • Mixing was found between younger ( 3 H) and older ( 14 C and 4 He) groundwater. • Mixing occurred under natural flow conditions and/or was induced during sampling. • The new conceptual model shows dominant local and intermediate flow systems. - Abstract: A conceptual model was developed for a hydrogeological flow system in the southern Outaouais Region, Quebec, Canada, where the local population relies heavily on groundwater pumped from shallow overburden aquifers and from deeper fractured crystalline bedrock. The model is based on the interpretation of aqueous inorganic geochemical data from 14 wells along a cross-section following the general flow direction, of which 9 were also analysed for isotopes (δ 18 O, δ 2 H, 3 H, δ 13 C, 14 C) and 4 for noble gases (He, Ne, Ar, Xe, Kr). Three major water types were identified: (1) Ca–HCO 3 in the unconfined aquifer as a result of silicate (Ca-feldspar) weathering, (2) Na–Cl as a remnant of the post-glacial Champlain Sea in stagnant confined zones of the aquifer, and (3) Na–HCO 3 , resulting from freshening of the confined aquifer due to Ca–Na cation exchange. Chemical data also allowed the identification of significant mixing zones. Isotope and noble gas data confirm the hypothesis of remnant water from the Champlain Sea and also support the hypothesis of mixing processes between a young tritium-rich component with an older component containing high 4 He concentrations. It is still unclear if the mixing occurs under natural flow conditions or if it is induced by pumping during the sampling, most wells being open boreholes in the bedrock. It is clear, however, that the hydrogeochemical system is dynamic and still evolving from induced changes since the last glaciation. As a next step, the conceptual model will serve as a

  13. 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.

  14. Geochemical Results of Lysimeter Sampling at the Manning Canyon Repository in the Mercur Mining District, Utah

    Science.gov (United States)

    Earle, John; Choate, LaDonna

    2010-01-01

    This report presents chemical characteristics of transient unsaturated-zone water collected by lysimeter from the Manning Canyon repository site in Utah. Data collected by U.S. Geological Survey and U.S. Department of the Interior, Bureau of Land Management scientists under an intragovernmental order comprise the existing body of hydrochemical information on unsaturated-zone conditions at the site and represent the first effort to characterize the chemistry of the soil pore water surrounding the repository. Analyzed samples showed elevated levels of arsenic, barium, chromium, and strontium, which are typical of acidic mine drainage. The range of major-ion concentrations generally showed expected soil values. Although subsequent sampling is necessary to determine long-term effects of the repository, current results provide initial data concerning reactive processes of precipitation on the mine tailings and waste rock stored at the site and provide information on the effectiveness of reclamation operations at the Manning Canyon repository.

  15. Air-segmented continuous-flow analysis for molybdenum in various geochemical samples

    International Nuclear Information System (INIS)

    Harita, Y.; Sugiyama, M.; Hori, T.

    2003-01-01

    An air-segmented continuous-flow method has been developed for the determination of molybdenum at ultra trace levels using the catalytic effect of molybdate during the oxidation of L-ascorbic acid by hydrogen peroxide. Incorporation of an on-line ion exchange column improved the tolerance limit for various ions. The detection limits with and without the column were 64 pmol L m1 and 17 pmol L m1 , and the reproducibilities at 10 nmol L m1 were 2.1 % and 0.2 %, respectively. The proposed method was applied to the determination of molybdenum in seawater and lake water as well as in rock and sediment samples. This method has the highest sensitivity among the available literature to our knowledge, and is also convenient for routine analysis of molybdenum in various natural samples. (author)

  16. Geochemical modelling of groundwater evolution and residence time at the Olkiluoto site

    International Nuclear Information System (INIS)

    Pitkaenen, P.; Luukkonen, A.; Ruotsalainen, P.; Leino-Forsman, H.; Vuorinen, U.

    1999-05-01

    An understanding of the geochemical evolution of groundwater is an essential part of the performance assessment and safety analysis of the final disposal of radioactive waste into the bedrock. The performance of technical barriers and migration of possibly released radionuclides depend on chemical conditions. A prerequisite for understanding these factors is the ability to specify the water-rock interactions which control chemical conditions in groundwater. The objective of this study is to interpret the processes and factors which control the hydrogeochemistry, such as pH and redox conditions. A model of the hydrogeochemical progress in different parts of the crystalline bedrock at Olkiluoto has been created and the significance of chemical reactions and groundwater mixing along different flowpaths calculated. Long term hydrodynamics have also been evaluated. The interpretation and modelling are based on water samples (63 altogether) obtained from precipitation, Baltic Sea, soil layer, shallow wells in the bedrock, and eight deep boreholes in the bedrock for which a comprehensive data set on dissolved chemical species and isotopes was available. Some analyses of dissolved gases and fracture calcite and their isotopic measurements were also utilised. The data covers the bedrock at Olkiluoto to a depth of 1000 m. The results from groundwater chemistry, isotopes, petrography, hydrogeology of the site, geomicrobial studies, and PCA and speciation calculations were used in the evaluation of evolutionary processes at the site. The geochemical interpretation of water-rock interaction, isotope-chemical evolution and mixing of palaeo water types were approached by mass-balance calculations (NETPATH). Reaction-path calculations (EQ3/6) were used to verify the thermodynamic feasibility of the reaction models obtained. The interpretation and calculation of hydrochemical data from Olkiluoto reveals the complex nature of hydrogeochemical evolution at the site. Changes in

  17. Geochemical modelling of groundwater evolution and residence time at the Olkiluoto site

    Energy Technology Data Exchange (ETDEWEB)

    Pitkaenen, P.; Luukkonen, A. [VTT Communities and Infrastructure, Espoo (Finland); Ruotsalainen, P. [Fintact Oy (Finland); Leino-Forsman, H.; Vuorinen, U. [VTT Chemical Technology, Espoo (Finland)

    1999-05-01

    An understanding of the geochemical evolution of groundwater is an essential part of the performance assessment and safety analysis of the final disposal of radioactive waste into the bedrock. The performance of technical barriers and migration of possibly released radionuclides depend on chemical conditions. A prerequisite for understanding these factors is the ability to specify the water-rock interactions which control chemical conditions in groundwater. The objective of this study is to interpret the processes and factors which control the hydrogeochemistry, such as pH and redox conditions. A model of the hydrogeochemical progress in different parts of the crystalline bedrock at Olkiluoto has been created and the significance of chemical reactions and groundwater mixing along different flowpaths calculated. Long term hydrodynamics have also been evaluated. The interpretation and modelling are based on water samples (63 altogether) obtained from precipitation, Baltic Sea, soil layer, shallow wells in the bedrock, and eight deep boreholes in the bedrock for which a comprehensive data set on dissolved chemical species and isotopes was available. Some analyses of dissolved gases and fracture calcite and their isotopic measurements were also utilised. The data covers the bedrock at Olkiluoto to a depth of 1000 m. The results from groundwater chemistry, isotopes, petrography, hydrogeology of the site, geomicrobial studies, and PCA and speciation calculations were used in the evaluation of evolutionary processes at the site. The geochemical interpretation of water-rock interaction, isotope-chemical evolution and mixing of palaeo water types were approached by mass-balance calculations (NETPATH). Reaction-path calculations (EQ3/6) were used to verify the thermodynamic feasibility of the reaction models obtained. The interpretation and calculation of hydrochemical data from Olkiluoto reveals the complex nature of hydrogeochemical evolution at the site. Changes in

  18. Some results of processing NURE geochemical sampling in the northern Rocky Mountain area

    International Nuclear Information System (INIS)

    Thayer, P.A.; Cook, J.R.; Price, V. Jr.

    1980-01-01

    The National Uranium Resource Evaluation (NURE) program was begun in the spring of 1973 to evaluate domestic uranium resources in the continental United States and to identify areas favorable for uranium exploration. The significance of the distribution of uranium in natural waters and sediments will be assessed as an indicator of favorable areas for the discovery of uranium deposits. This paper is oriented primarily to the discussion of stream sediments. Data for the Challis 1 0 x 2 0 NTMS quadrangle will be used for specific samples of NURE data processing. A high-capacity neutron activation analysis facility at SRL is used to determine uranium and about 19 other elements in hydrogeochemical samples. Evaluation of the areal distributions of uranium ratios demonstrate that most of the high U/Hf, U/Th and U/(Th + Hf) ratios occur scattered throughout the western two-thirds of the quadrangle. Most of the higher ratio values are found in samples taken at sites underlain by granitic rocks of the Idaho batholith or Tertiary-age plutons

  19. Modeling background radiation using geochemical data: A case study in and around Cameron, Arizona.

    Science.gov (United States)

    Marsac, Kara E; Burnley, Pamela C; Adcock, Christopher T; Haber, Daniel A; Malchow, Russell L; Hausrath, Elisabeth M

    2016-12-01

    This study compares high resolution forward models of natural gamma-ray background with that measured by high resolution aerial gamma-ray surveys. The ability to predict variations in natural background radiation levels should prove useful for those engaged in measuring anthropogenic contributions to background radiation for the purpose of emergency response and homeland security operations. The forward models are based on geologic maps and remote sensing multi-spectral imagery combined with two different sources of data: 1) bedrock geochemical data (uranium, potassium and thorium concentrations) collected from national databases, the scientific literature and private companies, and 2) the low spatial resolution NURE (National Uranium Resource Evaluation) aerial gamma-ray survey. The study area near Cameron, Arizona, is located in an arid region with minimal vegetation and, due to the presence of abandoned uranium mines, was the subject of a previous high resolution gamma-ray survey. We found that, in general, geologic map units form a good basis for predicting the geographic distribution of the gamma-ray background. Predictions of background gamma-radiation levels based on bedrock geochemical analyses were not as successful as those based on the NURE aerial survey data sorted by geologic unit. The less successful result of the bedrock geochemical model is most likely due to a number of factors including the need to take into account the evolution of soil geochemistry during chemical weathering and the influence of aeolian addition. Refinements to the forward models were made using ASTER visualizations to create subunits of similar exposure rate within the Chinle Formation, which contains multiple lithologies and by grouping alluvial units by drainage basin rather than age. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

  20. Equilibrium geochemical modeling of a seasonal thermal energy storage aquifer field test

    Science.gov (United States)

    Stottlemyre, J. S.

    1980-01-01

    A geochemical mathematical modeling study designed to investigate the well plugging problems encountered at the Auburn University experimental field tests is summarized. The results, primarily of qualitative interest, include: (1) loss of injectivity was probably due to a combination of native particulate plugging and clay swelling and dispersion; (2) fluid-fluid incompatibilities, hydrothermal reactions, and oxidation reactions were of insignificant magnitude or too slow to have contributed markedly to the plugging; and (3) the potential for and contributions from temperature-induced dissolved gas solubility reductions, capillary boundary layer viscosity increases, and microstructural deformation cannot be deconvolved from the available data.

  1. EQ3/6 geochemical modeling task plan for Nevada Nuclear Waste Storage Investigations (NNWSI)

    Energy Technology Data Exchange (ETDEWEB)

    Isherwood, D.; Wolery, T.

    1984-04-10

    This task plan outlines work needed to upgrade the EQ3/6 geochemical code and expand the supporting data bases to allow the Nevada Nuclear Waste Storage Investigations (NNWSI) to model chemical processes important to the storage of nuclear waste in a tuff repository in the unsaturated zone. The plan covers the fiscal years 1984 to 1988. The scope of work includes the development of sub-models in the EQ3/6 code package for studying the effects of sorption, precipitation kinetics, redox disequilibrium, and radiolysis on radionuclide speciation and solubility. The work also includes a glass/water interactions model and a geochemical flow model which will allow us to study waste form leaching and reactions involving the waste package. A special emphasis is placed on verification of new capabilities as they are developed and code documentation to meet NRC requirements. Data base expansion includes the addition of elements and associated aqueous species and solid phases that are specific to nuclear waste (e.g., actinides and fission products) and the upgrading and documentation of the thermodynamic data for other species of interest.

  2. Simulation of reactive geochemical transport in groundwater using a semi-analytical screening model

    Science.gov (United States)

    McNab, Walt W.

    1997-10-01

    A reactive geochemical transport model, based on a semi-analytical solution to the advective-dispersive transport equation in two dimensions, is developed as a screening tool for evaluating the impact of reactive contaminants on aquifer hydrogeochemistry. Because the model utilizes an analytical solution to the transport equation, it is less computationally intensive than models based on numerical transport schemes, is faster, and it is not subject to numerical dispersion effects. Although the assumptions used to construct the model preclude consideration of reactions between the aqueous and solid phases, thermodynamic mineral saturation indices are calculated to provide qualitative insight into such reactions. Test problems involving acid mine drainage and hydrocarbon biodegradation signatures illustrate the utility of the model in simulating essential hydrogeochemical phenomena.

  3. Coupled geochemical/hydrogeological modelling to assess the origin of salinity at the Tono area (Japan)

    International Nuclear Information System (INIS)

    Guimera, Jordi; Ruiz, Eduardo; Luna, Miguel; Arcos, David; Jordana, Salvador; Saegusa, Hiromitsu

    2005-01-01

    Numerical models are powerful tools for the characterization of groundwater flow, especially when integrating geochemical and hydrogeological data. This paper describes modeling exercises performed in the area surrounding the Mizunami Underground Research Laboratory (MIU) Construction Site in central Japan. A particular issue being investigated at the MIU Site is the presence of saline water detected at depth in certain boreholes. The main objective of this study is to develop conceptual physical models for the origin of this salinity and to test these conceptual models using numerical modeling techniques. One scenario being investigated is that the saline fluids represent residual Miocene age seawater which has been slightly altered by water-rock interactions. It is likely that during Miocene times, seawater inundated the Tono area. This hypothesis is partially supported by carbon and oxygen isotopic data of the calcite fracture filling materials. (author)

  4. Leaching of chromium from chromium contaminated soil: Speciation study and geochemical modeling

    Directory of Open Access Journals (Sweden)

    Anđelković Darko H.

    2012-01-01

    Full Text Available Distribution of chromium between soil and leachate was monitored. A natural process of percolating rainwater through the soil was simulated in the laboratory conditions and studied with column leaching extraction. Migration of chromium in the soil is conditioned by the level of chromium soil contamination, the soil organic matter content, and rainwater acidity. Chromium (III and chromium(VI were determined by spectrophotometric method with diphenilcarbazide in acidic media. Comparing the results of chromium speciation in leachate obtained by experimental model systems and geochemical modelling calculations using Visual MINTEQ model, a correlation was observed regarding the influence of the tested parameters. Leachate solutions showed that the concentration of Cr depended on the organic matter content. The influence of pH and soil organic matter content is in compliance after its definition through experimental and theoretical way. The computer model - Stockholm Humic Model used to evaluate the leaching results corresponded rather well with the measured values.

  5. The evolution of the magmatic arc of Southern Peru (200-60 Ma), Arequipa area: insight from geochemical modeling

    Science.gov (United States)

    Demouy, S.; Benoit, M.; De Saint Blanquat, M.; Brunet, P.

    2012-12-01

    Cordilleran-type batholiths are built by prolonged arc activity along continental margins and may provide detailed magmatic records of the subduction system evolution. The magmas produced in subduction context involve both mantellic and crustal end members and are subject to various petrological processes. The MASH zones (Hildreth and Moorbath, 1988), at the basis of the continental crust, are the best places for the genesis of such hybrid magmas. The various geochemical signatures observed in the plutonic rocks, may also be attributed to source heterogeneities or generated by subsequent petrological processes. This study has focused in the Arequipa section of the Coastal Batholith of Southern Peru (200-60 Ma), in an area extending over 80x40 km. Major and trace elements as well as Sr and Nd isotopic analyses were performed in a set of 100 samples ranging from gabbro to granite. The obtained data highlight the wide heterogeneity of the geochemical signatures that is not related to the classification of the rocks. In first step, Rb/Sr systematic was used to isolate a set of samples plotting along a Paleocene isochron and defining a cogenetic suite. This suite appears to have evolved by simple fractional crystallization. By using reverse modeling, the parameters controlling the fractional crystallization process were defined, as partition coefficients, initial concentrations and amount of fractional crystallization. The other magmatic suites display a wide range of isotopic and geochemical signatures. To explain this heterogeneity, a model involving competition between fractional crystallization and magma mixing into MASH zones was proposed. A large range of hybrid magma types is potentially generated during the maturation of the system, but this range tends to disappear as fractionation and mixing occurs. Finally the model predicts the genesis of a homogeneous reservoir created at depth, from which magmas may evolve only by fractional crystallization. Therefore

  6. Fluid-rock geochemical interaction for modelling calibration in geothermal exploration in Indonesia

    Science.gov (United States)

    Deon, Fiorenza; Barnhoorn, Auke; Lievens, Caroline; Ryannugroho, Riskiray; Imaro, Tulus; Bruhn, David; van der Meer, Freek; Hutami, Rizki; Sibarani, Besteba; Sule, Rachmat; Saptadij, Nenny; Hecker, Christoph; Appelt, Oona; Wilke, Franziska

    2017-04-01

    Indonesia with its large, but partially unexplored geothermal potential is one of the most interesting and suitable places in the world to conduct geothermal exploration research. This study focuses on geothermal exploration based on fluid-rock geochemistry/geomechanics and aims to compile an overview on geochemical data-rock properties from important geothermal fields in Indonesia. The research carried out in the field and in the laboratory is performed in the framework of the GEOCAP cooperation (Geothermal Capacity Building program Indonesia- the Netherlands). The application of petrology and geochemistry accounts to a better understanding of areas where operating power plants exist but also helps in the initial exploration stage of green areas. Because of their relevance and geological setting geothermal fields in Java, Sulawesi and the sedimentary basin of central Sumatra have been chosen as focus areas of this study. Operators, universities and governmental agencies will benefit from this approach as it will be applied also to new green-field terrains. By comparing the characteristic of the fluids, the alteration petrology and the rock geochemistry we also aim to contribute to compile an overview of the geochemistry of the important geothermal fields in Indonesia. At the same time the rock petrology and fluid geochemistry will be used as input data to model the reservoir fluid composition along with T-P parameters with the geochemical workbench PHREEQC. The field and laboratory data are mandatory for both the implementation and validation of the model results.

  7. A comparison of iron oxide-rich joint coatings and rock chips as geochemical sampling media in exploration for disseminated gold deposits

    Science.gov (United States)

    Crone, W.; Larson, L.T.; Carpenter, R.H.; Chao, T.T.; Sanzolone, R.F.

    1984-01-01

    We evaluated the effectiveness of iron oxide-rich fracture coatings as a geochemical sampling medium for disseminated gold deposits, as compared with conventional lithogeochemical methods, for samples from the Pinson mine and Preble prospect in southeastern Humboldt County, Nevada. That disseminated gold mineralization is associated with Hg, As, and Sb is clearly demonstrated in these deposits for both fracture coatings and rock chip samples. However, the relationship is more pronounced for fracture coatings. Fracture coatings at Pinson contain an average of 3.61, 5.13, 14.37, and 3.42 times more Au, As, Sb and Hg, respectively, than adjacent rock samples. At Preble, fracture coatings contain 3.13, 9.72, 9.18, and 1.85 times more Au, As, Sb and Hg, respectively, than do adjacent rock samples. Geochemical anomalies determined from fracture coatings are thus typically more intense than those determined from rock samples for these elements. The sizes of anomalies indicated by fracture coatings are also somewhat larger, but this is less obvious. In both areas, Sb anomalies are more extensive in fracture coatings. At Preble, some Hg and Au anomalies are also more extensive in fracture coatings. In addition to halos formed by the Hg, As and Sb, high values for Au/Ag and Zn/(Fe + Mn) are closely associated with gold mineralization at the Pinson mine. The large enhancement in geochemical response afforded by fracture coatings indicates a definite potential in the search for buried disseminated gold deposits. ?? 1984.

  8. 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

  9. 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

  10. The EQ3/6 software package for geochemical modeling: Current status

    International Nuclear Information System (INIS)

    Worlery, T.J.; Jackson, K.J.; Bourcier, W.L.; Bruton, C.J.; Viani, B.E.; Knauss, K.G.; Delany, J.M.

    1988-07-01

    EQ3/6 is a software package for modeling chemical and mineralogic interactions in aqueous geochemical systems. The major components of the package are EQ3NR (a speciation-solubility code), EQ6 (a reaction path code), EQLIB (a supporting library), and a supporting thermodynamic data base. EQ3NR calculates aqueous speciation and saturation indices from analytical data. It can also be used to calculate compositions of buffer solutions for use in laboratory experiments. EQ6 computes reaction path models of both equilibrium step processes and kinetic reaction processes. These models can be computed for closed systems and relatively simple open systems. EQ3/6 is useful in making purely theoretical calculations, in designing, interpreting, and extrapolating laboratory experiments, and in testing and developing submodels and supporting data used in these codes. The thermodynamic data base supports calculations over the range 0-300 degree C. 60 refs., 2 figs

  11. The EQ3/6 software package for geochemical modeling: Current status

    Energy Technology Data Exchange (ETDEWEB)

    Wolery, T.J.; Jackson, K.J.; Bourcier, W.L.; Bruton, C.J.; Viani, B.E.; Knauss, K.G.; Delany, J.M.

    1988-07-01

    EQ3/6 is a software package for modeling chemical and mineralogic interactions in aqueous geochemical systems. The major components of the package are EQ3NR (a speciation-solubility code), EQ6 (a reaction path code), EQLIB (a supporting library), and a supporting thermodynamic data base. EQ3NR calculates aqueous speciation and saturation indices from analytical data. It can also be used to calculate compositions of buffer solutions for use in laboratory experiments. EQ6 computes reaction path models of both equilibrium step processes and kinetic reaction processes. These models can be computed for closed systems and relatively simple open systems. EQ3/6 is useful in making purely theoretical calculations, in designing, interpreting, and extrapolating laboratory experiments, and in testing and developing submodels and supporting data used in these codes. The thermodynamic data base supports calculations over the range 0-300{degree}C. 60 refs., 2 figs.

  12. Geochemical study of evaporite and clay mineral-oxyhydroxide samples from the Waste Isolation Pilot Plant site

    International Nuclear Information System (INIS)

    Brookins, D.G.

    1993-06-01

    Samples of clay minerals, insoluble oxyhydroxides, and their host evaporites from the WIPP site have been studied for their major and minor elements abundances, x-ray diffraction characteristics, K-Ar ages, and Rb-Sr ages. This study was undertaken to determine their overall geochemical characteristics and to investigate possible interactions between evaporates and insoluble constituents. The evaporite host material is water-soluble, having Cl/Br ratios typical of marine evaporites, although the Br content is low. Insoluble material (usually a mixture of clay minerals and oxyhydroxide phases) yields very high Cl/Br ratios, possibly because of Cl from admixed halide minerals. This same material yields K/Rb and Th/U ratios in the normal range for shales; suggesting little, if any, effect of evaporite-induced remobilization of U, K, or Rb in the insoluble material. The rare-earth element (REE) data also show normal REE/chondrite (REE/CHON) distribution patterns, supporting the K/Rb and Th/U data. Clay minerals yield K-Ar dates in the range 365 to 390 Ma and a Rb-Sr isochron age of 428 ± 7 Ma. These ages are well in excess of the 220- to 230-Ma formational age of the evaporites, and confirm the detrital origin of the clays. The ages also show that any evaporite or clay mineral reactions that might have occurred at or near the time of sedimentation and diagenesis were not sufficient to reset the K-Ar and Rb-Sr systematics of the clay minerals. Further, x-ray data indicate a normal evaporitic assemblage of clay minerals and Fe-rich oxyhydroxide phases. The clay minerals and other insoluble material appear to be resistant to the destructive effects of their entrapment in the evaporites, which suggests that these insoluble materials would be good getters for any radionuclides (hypothetically) released from the storage of radioactive wastes in the area

  13. Arsenic in groundwater of the Red River floodplain, Vietnam: Controlling geochemical processes and reactive transport modeling

    DEFF Research Database (Denmark)

    Postma, Diederik Jan; Larsen, Flemming; Hue, N.T.M.

    2007-01-01

    The mobilization of arsenic (As) to the groundwater was studied in a shallow Holocene aquifer on the Red River flood plain near Hanoi, Vietnam. The groundwater chemistry was investigated in a transect of 100 piezometers. Results show an anoxic aquifer featuring organic carbon decomposition......(III) but some As(V) is always found. Arsenic correlates well with NH4, relating its release to organic matter decomposition and the source of As appears to be the Fe-oxides being reduced. Part of the produced Fe(II) is apparently reprecipitated as siderite containing less As. Results from sediment extraction...... chemistry over depth is homogeneous and a reactive transport model was constructed to quantify the geochemical processes along the vertical groundwater flow component. A redox zonation model was constructed using the partial equilibrium approach with organic carbon degradation in the sediment as the only...

  14. Geochemical modelling of Na-SO4 type groundwater at Palmottu using a mass balance approach

    International Nuclear Information System (INIS)

    Pitkaenen, P.

    1993-01-01

    The mass balance chemical modelling technique has been applied to the groundwaters at the Palmottu analogue study site (in southwestern Finland) for radioactive waste disposal. The geochemical modelling concentrates on the evolution of Na-SO 4 type groundwater, which is spatially connected to the uranium mineralization. The results calculated along an assumed flow path are consistent with available field data and thermodynamic constraints. The results show that essential production of sulphides is unrealistic in the prevailing conditions. The increasing concentrations of Na, SO 4 and Cl along the evolution trend seem to have the same source and they could originate mainly from the leakage of fluid inclusions. Some mixing of relict sea water is also possible

  15. Thermo-hydro-geochemical modelling of the bentonite buffer. LOT A2 experiment

    Energy Technology Data Exchange (ETDEWEB)

    Sena, Clara; Salas, Joaquin; Arcos, David (Amphos 21 Consulting S.L., Barcelona (Spain))

    2010-12-15

    The Swedish Nuclear Fuel and waste management company (SKB) is conducting a series of long term buffer material (LOT) tests at the Aespoe Hard Rock Laboratory (HRL) to test the behaviour of the bentonite buffer under conditions similar to those expected in a KBS-3 deep geological repository for high level nuclear waste (HLNW). In the present work a numerical model is developed to simulate (i) the thermo-hydraulic, (ii) transport and (iii) geochemical processes that have been observed in the LOT A2 test parcel. The LOT A2 test lasted approximately 6 years, and consists of a 4 m long vertical borehole drilled in diorite rock, from the ground of the Aespoe HRL tunnel. The borehole is composed of a central heater, maintained at 130 deg C in the lower 2 m of the borehole, a copper tube surrounding the heater and a 100 mm thick ring of pre-compacted Wyoming MX-80 bentonite around the copper tube /Karnland et al. 2009/. The numerical model developed here is a 1D axis-symmetric model that simulates the water saturation of the bentonite under a constant thermal gradient; the transport of solutes; and, the geochemical reactions observed in the bentonite blocks. Two cases have been modelled, one considering the highest temperature reached by the bentonite (at 3 m depth in the borehole, where temperatures of 130 and 85 deg C have been recorded near the copper tube and near the granitic host rock, respectively) and the other case assuming a constant temperature of 25 deg C, representing the upper part of borehole, where the bentonite has not been heated. In the LOT A2 test, the initial partially saturated bentonite becomes progressively water saturated, due to the injection of Aespoe granitic groundwater at granite - bentonite interface. The transport of solutes during the bentonite water saturation stage is believed to be controlled by water uptake from the surrounding groundwater to the wetting front and, additionally, in the case of heated bentonite, by a cyclic evaporation

  16. Thermo-hydro-geochemical modelling of the bentonite buffer. LOT A2 experiment

    International Nuclear Information System (INIS)

    Sena, Clara; Salas, Joaquin; Arcos, David

    2010-12-01

    The Swedish Nuclear Fuel and waste management company (SKB) is conducting a series of long term buffer material (LOT) tests at the Aespoe Hard Rock Laboratory (HRL) to test the behaviour of the bentonite buffer under conditions similar to those expected in a KBS-3 deep geological repository for high level nuclear waste (HLNW). In the present work a numerical model is developed to simulate (i) the thermo-hydraulic, (ii) transport and (iii) geochemical processes that have been observed in the LOT A2 test parcel. The LOT A2 test lasted approximately 6 years, and consists of a 4 m long vertical borehole drilled in diorite rock, from the ground of the Aespoe HRL tunnel. The borehole is composed of a central heater, maintained at 130 deg C in the lower 2 m of the borehole, a copper tube surrounding the heater and a 100 mm thick ring of pre-compacted Wyoming MX-80 bentonite around the copper tube /Karnland et al. 2009/. The numerical model developed here is a 1D axis-symmetric model that simulates the water saturation of the bentonite under a constant thermal gradient; the transport of solutes; and, the geochemical reactions observed in the bentonite blocks. Two cases have been modelled, one considering the highest temperature reached by the bentonite (at 3 m depth in the borehole, where temperatures of 130 and 85 deg C have been recorded near the copper tube and near the granitic host rock, respectively) and the other case assuming a constant temperature of 25 deg C, representing the upper part of borehole, where the bentonite has not been heated. In the LOT A2 test, the initial partially saturated bentonite becomes progressively water saturated, due to the injection of Aespoe granitic groundwater at granite - bentonite interface. The transport of solutes during the bentonite water saturation stage is believed to be controlled by water uptake from the surrounding groundwater to the wetting front and, additionally, in the case of heated bentonite, by a cyclic evaporation

  17. 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

  18. Geomechanical/Geochemical Modeling Studies Conducted within the International DECOVALEX Project

    International Nuclear Information System (INIS)

    Birkholzer, J.T.; Rutqvist, J.; Sonnenthal, E.L.; Barr, D.; Chijimatsu, M.; Kolditz, O.; Liu, Q.; Oda, Y.; Wang, W.; Xie, M.; Zhang, C.

    2005-01-01

    The DECOVALEX project is an international cooperative project initiated by SKI, the Swedish Nuclear Power Inspectorate, with participation of about 10 international organizations. The general goal of this project is to encourage multidisciplinary interactive and cooperative research on modeling coupled thermo-hydro-mechanical-chemical (THMC) processes in geologic formations in support of the performance assessment for underground storage of radioactive waste. One of the research tasks, initiated in 2004 by the U.S. Department of Energy (DOE), addresses the long-term impact of geomechanical and geochemical processes on the flow conditions near waste emplacement tunnels. Within this task, four international research teams conduct predictive analysis of the coupled processes in two generic repositories, using multiple approaches and different computer codes. Below, we give an overview of the research task and report its current status

  19. Geomechanical/Geochemical Modeling Studies Conducted Within the International DECOVALEX Project

    International Nuclear Information System (INIS)

    J.T. Birkholzer; J. Rutqvist; E.L. Sonnenthal; D. Barr; M.Chijimatsu; O. Kolditz; Q. Liu; Y. Oda; W. Wang; M. Xie; C. Zhang

    2006-01-01

    The DECOVALEX project is an international cooperative project initiated by SKI, the Swedish Nuclear Power Inspectorate, with participation of about 10 international organizations. The general goal of this project is to encourage multidisciplinary interactive and cooperative research on modeling coupled thermo-hydro-mechanical-chemical (THMC) processes in geologic formations in support of the performance assessment for underground storage of radioactive waste. One of the research tasks, initiated in 2004 by the U.S. Department of Energy (DOE), addresses the long-term impact of geomechanical and geochemical processes on the flow conditions near waste emplacement tunnels. Within this task, four international research teams conduct predictive analysis of the coupled processes in two generic repositories, using multiple approaches and different computer codes. Below, we give an overview of the research task and report its current status

  20. Qualification of Thermodynamic Data for Geochemical Modeling of Mineral-Water Interactions in Dilute Systems

    International Nuclear Information System (INIS)

    T. J. Wolery; C.F. Jove-Colon

    2004-01-01

    The purpose of this analysis report is to qualify the thermochemical database data0.ymp.R2 (DTN: MO0302SPATHDYN.000 [DIRS 161756], qualified by this report) and supporting calculations (DTNs: MO0302SPATHDYN.001 [DIRS 161886], and MO0303SPASPEQ2.000 [DIRS 162278]), which were originally documented in ''Data Qualification: Update and Revision of the Geochemical Thermodynamic Database, Data0.ymp'' (Steinborn et al. 2003 [DIRS 161956]). This original document still serves as the record of development of the data0.ymp.R2 database (DTN: MO0302SPATHDYN.000 [DIRS 161756]). The data0.ymp.R2 thermodynamic database (DTN: MO0302SPATHDYN.000 [DIRS 161756]) was developed for use with software code EQ3/6 (EQ3/6 V8.0, STN: 10813-8.0-00) (BSC 2003 [DIRS 162228]) and software code EQ6 (EQ6 V7.2bLV, STN: 10075-7.2bLV-02) (BSC 2002 [DIRS 159731]) to conduct geochemical modeling of mineral-fluid interactions involving aqueous solutions (ionic strengths of up to one molal; see Section 6.5) and temperatures of up to 300 C along the liquid-vapor saturation curve of pure water. The data0.ymp.R2 database (DTN: MO0302SPATHDYN.000 [DIRS 161756]) is an update of the previously qualified predecessor database data0.ymp.R0 (DTN: MO0009THRMODYN.001 [DIRS 152576]). The scope of this report is limited to qualification of the updates, as well as identification and evaluation of certain errors and discrepancies as discussed

  1. Alligator Rivers Analogue project. Geochemical modelling of present-day groundwaters. Final Report - Volume 12

    Energy Technology Data Exchange (ETDEWEB)

    Sverjensky, D A [The John Hopkins Univ, Dept of Earth and Planetary Sciences, Baltimore (United States)

    1993-12-31

    The main purpose of this report is to summarize geochemical modeling studies of the present-day Koongarra groundwaters. Information on the present-day geochemistry and geochemical processes at Koongarra forms a basis for a present-day analogue for nuclear waste migration. The present-day analogue is built on studies of the mineralogy and petrology of the Koongarra deposit, and chemical analyses of present-day groundwaters from the deposit. The overall approach taken in the present study has been to carry out a series of aqueous speciation and state of saturation calculations, including chemical mass transfer calculations, to address the possible control over the chemistry of the present-day for the groundwaters at Koongarra. The most important implication of the present study for the migration of radionuclides is the strong role played by the water-rock interactions, both above and below the water table, influencing the overall chemical evolution of the groundwaters. Thus, the results show that the chemical evolution of waters is strongly controlled by the initial availability of CO{sub 2} and the mineral assemblage encountered, which together determine the major element evolution of the waters by controlling the pH. The relative rates of evolution of the pH and the oxidation state of the groundwaters are also critical to the mobility of uranium. The shallow Koongarra waters are sufficiently oxidising that they can dissolve and transport uranium even under acidic conditions. Under the more reducing condition of the deep groundwaters, is the pH level that permits uranium transport as carbonate complexes. However, if the oxidation state decreases to much lower levels, it would be expected that uranium become immobile. All the speciation and state of saturation calculations carried out in the present study are available from the author, on request 22 refs., 7 tabs., 18 figs.

  2. Alligator Rivers Analogue project. Geochemical modelling of present-day groundwaters. Final Report - Volume 12

    Energy Technology Data Exchange (ETDEWEB)

    Sverjensky, D. A. [The John Hopkins Univ, Dept of Earth and Planetary Sciences, Baltimore (United States)

    1992-12-31

    The main purpose of this report is to summarize geochemical modeling studies of the present-day Koongarra groundwaters. Information on the present-day geochemistry and geochemical processes at Koongarra forms a basis for a present-day analogue for nuclear waste migration. The present-day analogue is built on studies of the mineralogy and petrology of the Koongarra deposit, and chemical analyses of present-day groundwaters from the deposit. The overall approach taken in the present study has been to carry out a series of aqueous speciation and state of saturation calculations, including chemical mass transfer calculations, to address the possible control over the chemistry of the present-day for the groundwaters at Koongarra. The most important implication of the present study for the migration of radionuclides is the strong role played by the water-rock interactions, both above and below the water table, influencing the overall chemical evolution of the groundwaters. Thus, the results show that the chemical evolution of waters is strongly controlled by the initial availability of CO{sub 2} and the mineral assemblage encountered, which together determine the major element evolution of the waters by controlling the pH. The relative rates of evolution of the pH and the oxidation state of the groundwaters are also critical to the mobility of uranium. The shallow Koongarra waters are sufficiently oxidising that they can dissolve and transport uranium even under acidic conditions. Under the more reducing condition of the deep groundwaters, is the pH level that permits uranium transport as carbonate complexes. However, if the oxidation state decreases to much lower levels, it would be expected that uranium become immobile. All the speciation and state of saturation calculations carried out in the present study are available from the author, on request 22 refs., 7 tabs., 18 figs.

  3. Probabilistic, sediment-geochemical parameterisation of the groundwater compartment of the Netherlands for spatially distributed, reactive transport modelling

    Science.gov (United States)

    Janssen, Gijs; Gunnink, Jan; van Vliet, Marielle; Goldberg, Tanya; Griffioen, Jasper

    2017-04-01

    Pollution of groundwater aquifers with contaminants as nitrate is a common problem. Reactive transport models are useful to predict the fate of such contaminants and to characterise the efficiency of mitigating or preventive measures. Parameterisation of a groundwater transport model on reaction capacity is a necessary step during building the model. Two Dutch, national programs are combined to establish a methodology for building a probabilistic model on reaction capacity of the groundwater compartment at the national scale: the Geological Survey program and the NHI Netherlands Hydrological Instrument program. Reaction capacity is considered as a series of geochemical characteristics that control acid/base condition, redox condition and sorption capacity. Five primary reaction capacity variables are characterised: 1. pyrite, 2. non-pyrite, reactive iron (oxides, siderite and glauconite), 3. clay fraction, 4. organic matter and 5. Ca-carbonate. Important reaction capacity variables that are determined by more than one solid compound are also deduced: 1. potential reduction capacity (PRC) by pyrite and organic matter, 2. cation-exchange capacity (CEC) by organic matter and clay content, 3. carbonate buffering upon pyrite oxidation (CPBO) by carbonate and pyrite. Statistical properties of these variables are established based on c. 16,000 sediment geochemical analyses. The first tens of meters are characterised based on 25 regions using combinations of lithological class and geological formation as strata. Because of both less data and more geochemical uniformity, the deeper subsurface is characterised in a similar way based on 3 regions. The statistical data is used as input in an algoritm that probabilistically calculates the reaction capacity per grid cell. First, the cumulative frequency distribution (cfd) functions are calculated from the statistical data for the geochemical strata. Second, all voxel cells are classified into the geochemical strata. Third, the

  4. Geochemical reanalysis of historical U.S. Geological Survey sediment samples from the Inmachuk, Kugruk, Kiwalik, and Koyuk River drainages, Granite Mountain, and the northern Darby Mountains, Bendeleben, Candle, Kotzebue, and Solomon 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 653 historical USGS sediment samples from the statewide Alaska Geochemical Database Version 2.0 (AGDB2; Granitto and others, 2013). Samples were chosen from an area covering portions of the Inmachuk, Kugruk, Kiwalik, and Koyuk river drainages, Granite Mountain, and the northern Darby Mountains, located in the Bendeleben, Candle, Kotzebue, and Solomon quadrangles of eastern Seward Peninsula, 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

  5. 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.

  6. Geochemical model of uranium and selenium in an aquifer disturbed by in situ uranium mining

    International Nuclear Information System (INIS)

    Johnson, K.; Neumann, M.R.

    1986-01-01

    Restoring ground water to baseline conditions proved to be very difficult, however, and led to the trial of a sodium carbonate/bicarbonate lixiviant. Results of this test indicated the basic lixiviant was unable to address uranium tied up in carbonaceous material. Subsequently, the decision was made to curtail development and restore all affected ground water to the extent achievable through the use of the best practicable technology, such as reverse osmosis. Restoration results, however, were not considered adequate for demonstration of commercial restoration feasibility. Following completion of the restoration effort, regulatory agencies expressed concern as to the long-term fate of certain parameters, such as uranium and selenium, remaining in solution at above baseline levels. Rocky Mountain Energy, through discussions with various consultants, determined that geochemical modeling would be the most appropriate tool for predicting the probable long-term effects. This paper summarizes the results of the subsequent evaluation which was conducted using the PHREEQE computer model. Significant conclusions of the investigation were: (1) the Eh in the ground water decreases regularly after mining activities, as shown by measured Eh values, and (2) the accompanying decrease in uranium and selenium can be predicted by thermodynamic modeling

  7. The use of geochemical speciation modelling to predict the impact of uranium to freshwater biota

    International Nuclear Information System (INIS)

    Markich, S.J.; Brown, P.L.; Jeffree, R.A.

    1996-01-01

    Uranium is the prime potential contaminant in mine waste waters that may be released from the Ranger Uranium Mine (RUM) into the receiving waters of the Magela Creek, Alligator Rivers Region, Northern Australia. The potential ecological impact of the migration of uranium, that would result from an elevation in its concentration above background, in the Magela Creek downstream of the RUM, has been experimentally investigated by integrating biomonitoring with geochemical speciation modelling. The freshwater bivalve Velesunio angasi, abundant throughout the Magela Creek catchment, was exposed to a variety of uranium concentrations in a synthetic Magela Creek water, at four pH levels (5.0, 5.3, 5.5 and 6.0), in the presence (3.05 and 7.50 mg l -1 ) and absence of a model fulvic acid (FA), and its behavioural response was measured. Speciation modelling, using the HARPHRQ code, provided evidence that UO 2+ 2 and UO 2 OH + are the uranium species most responsible (ca. 96%) for eliciting an adverse behavioural response when UO 2+ 2 is assigned twice the toxic effect of UO 2 OH + . This finding rejects the notion that biota respond specifically to the sum total of inorganic uranyl species. (orig.)

  8. Preliminary integrated calculation of radionuclide cation and anion transport at Yucca Mountain using a geochemical model

    International Nuclear Information System (INIS)

    Birdsell, K.H.; Campbell, K.; Eggert, K.G.; Travis, B.J.

    1989-01-01

    This paper presents preliminary transport calculations for radionuclide movement at Yucca Mountain using preliminary data for mineral distributions, retardation parameter distributions, and hypothetical recharge scenarios. These calculations are not performance assessments, but are used to study the effectiveness of the geochemical barriers at the site at mechanistic level. The preliminary calculations presented have many shortcomings and should be viewed only as a demonstration of the modeling methodology. The simulations were run with TRACRN, a finite-difference porous flow and radionuclide transport code developed for the Yucca Mountain Project. Approximately 30,000 finite-difference nodes are used to represent the unsaturated and saturated zones underlying the repository in three dimensions. Sorption ratios for the radionuclides modeled are assumed to be functions of mineralogic assemblages of the underlying rock. These transport calculations present a representative radionuclide cation, 135 Cs and anion, 99 Tc. The effects on transport of many of the processes thought to be active at Yucca Mountain may be examined using this approach. The model provides a method for examining the integration of flow scenarios, transport, and retardation processes as currently understood for the site. It will also form the basis for estimates of the sensitivity of transport calculations to retardation processes. 11 refs., 17 figs., 1 tab

  9. A Geochemical Model of Fluids and Mineral Interactions for Deep Hydrocarbon Reservoirs

    Directory of Open Access Journals (Sweden)

    Jun Li

    2017-01-01

    Full Text Available A mutual solubility model for CO2-CH4-brine systems is constructed in this work as a fundamental research for applications of deep hydrocarbon exploration and production. The model is validated to be accurate for wide ranges of temperature (0–250°C, pressure (1–1500 bar, and salinity (NaCl molality from 0 to more than 6 mole/KgW. Combining this model with PHREEQC functionalities, CO2-CH4-brine-carbonate-sulfate equilibrium is calculated. From the calculations, we conclude that, for CO2-CH4-brine-carbonate systems, at deeper positions, magnesium is more likely to be dissolved in aqueous phase and calcite can be more stable than dolomite and, for CO2-CH4-brine-sulfate systems, with a presence of CH4, sulfate ions are likely to be reduced to S2− and H2S in gas phase could be released after S2− saturated in the solution. The hydrocarbon “souring” process could be reproduced from geochemical calculations in this work.

  10. The Role of Geochemical Modeling in Predicting Quality Evolution of Acid Mine Drainage

    Directory of Open Access Journals (Sweden)

    Andrea Šlesárová

    2004-12-01

    Full Text Available In recent years the massive reduction of raw materials production brings a wide scale of problems. Among the most frequent exposes of mining activities belong besides old spoil heaps and sludge lagoons, also the drainage of acidic and highly mineralized mine waters known as “the Acid Mine Drainage” (thereinafter AMD from old mine workings. The acid mine drainage presents to the surrounding environment a massive problem. These waters are toxic to the plant and animal life, including fishes and aquatic insects. The primary control of the drainage pH and the metal content is the exposure of sulphide minerals to weathering, the availability of atmospheric oxygen, and the sensitivity of non-sulphide minerals to buffer acidity. A geochemical modeling software is increasingly used to solve evolution of the complex chemical systems such as the interaction of acid mine drainage with wall rocks, migration of AMD components. Beyond the better computer facilities it allows to study of thermodynamic properties substances and to enlarge thermodynamic databases. A model is a simplified version of reality based on its observation and experiments. A goal of the modeling process is the tendency to better understand processes taking place inside of the system, the attempt to assume the system’s behaviour in the future or to predict the effect of changed conditions in the system’s environment on the system itself.

  11. Experimental Investigation and Simplistic Geochemical Modeling of CO2 Mineral Carbonation Using the Mount Tawai Peridotite

    Directory of Open Access Journals (Sweden)

    Omeid Rahmani

    2016-03-01

    Full Text Available In this work, the potential of CO2 mineral carbonation of brucite (Mg(OH2 derived from the Mount Tawai peridotite (forsterite based (Mg2SiO4 to produce thermodynamically stable magnesium carbonate (MgCO3 was evaluated. The effect of three main factors (reaction temperature, particle size, and water vapor were investigated in a sequence of experiments consisting of aqueous acid leaching, evaporation to dryness of the slurry mass, and then gas-solid carbonation under pressurized CO2. The maximum amount of Mg converted to MgCO3 is ~99%, which occurred at temperatures between 150 and 175 °C. It was also found that the reduction of particle size range from >200 to <75 µm enhanced the leaching rate significantly. In addition, the results showed the essential role of water vapor in promoting effective carbonation. By increasing water vapor concentration from 5 to 10 vol %, the mineral carbonation rate increased by 30%. This work has also numerically modeled the process by which CO2 gas may be sequestered, by reaction with forsterite in the presence of moisture. In both experimental analysis and geochemical modeling, the results showed that the reaction is favored and of high yield; going almost to completion (within about one year with the bulk of the carbon partitioning into magnesite and that very little remains in solution.

  12. Modeled near-field environment porosity modifications due to coupled thermohydrologic and geochemical processes

    International Nuclear Information System (INIS)

    Glassley, W. E.; Nitao, J. J.

    1998-01-01

    Heat deposited by waste packages in nuclear waste repositories can modify rock properties by instigating mineral dissolution and precipitation along hydrothermal flow pathways. Modeling this reactive transport requires coupling fluid flow to permeability changes resulting from dissolution and precipitation. Modification of the NUFT thermohydrologic (TH) code package to account for this coupling in a simplified geochemical system has been used to model the time- dependent change in porosity, permeability, matrix and fracture saturation, and temperature in the vicinity of waste-emplacement drifts, using conditions anticipated for the potential Yucca Mountain repository. The results show, within a few hundred years, dramatic porosity reduction approximately 10 m above emplacement drifts. Most of this reduction is attributed to deposition of solute load at the boiling front, although some of it also results from decreasing temperature along the flow path. The actual distribution of the nearly sealed region is sensitive to the time- dependent characteristics of the thermal load imposed on the environment and suggests that the geometry of the sealed region can be engineered by managing the waste-emplacement strategy

  13. Genesis and evolution of the fumaroles of vulcano (Aeolian Islands, Italy): a geochemical model

    Science.gov (United States)

    Carapezza, M.; Nuccio, P. M.; Valenza, M.

    1981-09-01

    A geochemical model explaining the presence of fumaroles having different gas composition and temperature at the top of the crater and along the northeastern coast of Vulcano island is proposed. A pressurized biphase (liquid-vapor) reservoir at the depth of about 2 km is hypothesized. Energy and mass balance sheets control P-T conditions in the system. P-T must vary along a boiling curve of brine as liquid is present. The CO2 content in the steam is governed by the thermodynamic properties of the fluids in the H2-NaCl-CO2 system. On the assumption that oxygen fugacity in the system is between the HM-FMQ oxygen buffers, observed SO2/H2S, CO2/CO, CO/CH4 ratios in the fumarolic gases at the Fossa crater appear in equilibrium with a temperature higher than that observed, such as may exist at depth. The more reduced gas phases present on the sea-side may result from re-equilibrium processes in shallower aquifers. The suggested model would help in monitoring changes in volcanic activity by analyzing fumarolic gases.

  14. Flow and geochemical modeling of drainage from Tomitaka mine, Miyazaki, Japan.

    Science.gov (United States)

    Yamaguchi, Kohei; Tomiyama, Shingo; Metugi, Hideya; Ii, Hiroyuki; Ueda, Akira

    2015-10-01

    The chemistry and flow of water in the abandoned Tomitaka mine of Miyazaki, western Japan were investigated. This mine is located in a non-ferrous metal deposit and acid mine drainage issues from it. The study was undertaken to estimate the quantities of mine drainage that needs to be treated in order to avoid acidification of local rivers, taking into account seasonal variations in rainfall. Numerical models aimed to reproduce observed water levels and fluxes and chemical variations of groundwater and mine drainage. Rock-water interactions that may explain the observed variations in water chemistry are proposed. The results show that: (1) rain water infiltrates into the deeper bedrock through a highly permeable zone formed largely by stopes that are partially filled with spoil from excavations (ore minerals and host rocks); (2) the water becomes acidic (pH from 3 to 4) as dissolved oxygen oxidizes pyrite; (3) along the flow path through the rocks, the redox potential of the water becomes reducing, such that pyrite becomes stable and pH of the mine drainage becomes neutral; and (4) upon leaving the mine, the drainage becomes acidic again due to oxidation of pyrite in the rocks. The present numerical model with considering of the geochemical characteristics can simulate the main variations in groundwater flow and water levels in and around the Tomitaka mine, and apply to the future treatment of the mine drainage. Copyright © 2015. Published by Elsevier B.V.

  15. Coupling R and PHREEQC: an interactive and extensible environment for efficient programming of geochemical models

    Science.gov (United States)

    De Lucia, Marco; Kühn, Michael

    2013-04-01

    manipulations and visualization in a powerful high level language, and benefiting from an enormous amount of third-party open source R extensions. The possibility to rapidly prototype complex algorithms involving geochemical modelling is in our opinion a huge advantage. A demonstration is given by the successful evaluation of a strategy to reduce the CPU-time needed to perform reactive transport simulations in a sequential coupling scheme. The idea is the "reduction" of the number of actual chemical simulations to perform at every time step, by searching for "duplicates" of each chemical simulations in the grid: such comparison involves typically a huge number of elements (one chemical simulation for grid element for time step) and a quite large number of variables (concentrations and mineral abundances). However, through the straightforward implementation of the prototype algorithm through the R/PHREEQC interface, we found out that the scan is extremely cost-effective in terms of CPU-time and typically allows a relevant speedup for simulations starting from a homogeneous or zone-homogeneous state. This speedup can even greatily exceed that of parallelization in some favorable but not unfrequent case. This feature should therefore be implemented in reactive transport simulators. References [1] Parkhurst D, Appelo C (1999) Users guide to PHREEQC (version 2). Tech. rep, U.S. Geological Survey. [2] Beyer C, Li D, De Lucia M, Kühn M, Bauer S (2012): Modelling CO2-induced fluid-rock interactions in the Altensalzwedel gas reservoir. Part II: coupled reactive transport simulation. Environ. Earth Sci., 67, 2, 573-588. [3] R Core Team (2012) R: A language and environment for statistical computing. R Foundation for Statistical Computing, Vienna, Austria. ISBN 3-900051-07-0, URL http://www.R-project.org/. [4] Kühn M, Münch U (2012) CLEAN: CO2 Large-Scale Enhanced Gas Recovery. GEOTECHNOLOGIEN Science Report No. 19. Series: Advanced. Technologies in Earth Sciences, 199 p, ISBN 978-3-642-31676-0.

  16. Modeling of the geochemical behaviour and of the radionuclide transport in the presence of colloids

    International Nuclear Information System (INIS)

    Van der Lee, Jan

    1997-01-01

    Over the past ten years, colloids have been introduced in the already complex subject of waste storage safety analysis. They are indeed often considered as rapid carriers for otherwise insoluble radioactive elements, and therefore potentially decrease the effective barrier function of the geological rock surrounding the waste. The problem is therefore to understand colloid behaviour and quantify their stability and reactivity with respect to the radionuclides. The subject reveals three different levels of phenomena: the geochemical mechanisms, the micro-physical and electrostatic behaviour of colloids and the transport mechanisms. The topics of this thesis therefore cover a wide range of disciplines, such as geochemistry, radiochemistry, physics, hydrogeology, mathematics and computer science. Given the complexity of the subject, only strongly simplified models are used for safety assessment including the impact of colloids. Henceforth, the objective of this study is to provide a comprehensive theoretical basis for modelling the impact of colloids according to a deterministic approach, in the hope to pave the road towards predictive modelling of a waste repository performance. This thesis is the result of work carried out in different European Community projects in the framework of the fourth R and D program on 'Management and Storage of Radioactive Waste'. part A, task 4, 'Disposal of Radioactive Waste'. Grateful use has been made of many chemical and hydrogeological experiments carried out by many different laboratories all over Europe. The main results can be classified according to three principal topics: - geochemistry and the chemical behaviour of actinides, lanthanides and fission products; - retention mechanisms of colloidal particles; - transport mechanism in geological medium. The first topic is fundamental: geochemistry forms the basis of e.g. the retention model for aqueous and colloidal species. The principal result of this topic is

  17. Rock–water interactions and pollution processes in the volcanic aquifer system of Guadalajara, Mexico, using inverse geochemical modeling

    International Nuclear Information System (INIS)

    Morán-Ramírez, J.; Ledesma-Ruiz, R.; Mahlknecht, J.; Ramos-Leal, J.A.

    2016-01-01

    In order to understand and mitigate the deterioration of water quality in the aquifer system underlying Guadalajara metropolitan area, an investigation was performed developing geochemical evolution models for assessment of groundwater chemical processes. The models helped not only to conceptualize the groundwater geochemistry, but also to evaluate the relative influence of anthropogenic inputs and natural sources of salinity to the groundwater. Mixing processes, ion exchange, water–rock–water interactions and nitrate pollution and denitrification were identified and confirmed using mass-balance models constraint by information on hydrogeology, groundwater chemistry, lithology and stability of geochemical phases. The water–rock interactions in the volcanic setting produced a dominant Na−HCO_3 water type, followed by Na−Mg−Ca−HCO_3 and Na−Ca−HCO_3. For geochemical evolution modeling, flow sections were selected representing recharge and non-recharge processes and a variety of mixing conditions. Recharge processes are dominated by dissolution of soil CO_2 gas, calcite, gypsum, albite and biotite, and Ca/Na exchange. Non-recharge processes show that the production of carbonic acid and Ca/Na exchange are decreasing, while other minerals such as halite and amorphous SiO_2 are precipitated. The origin of nitrate pollution in groundwater are fertilizers in rural plots and wastewater and waste disposal in the urban area. This investigation may help water authorities to adequately address and manage groundwater contamination. - Highlights: • The Inverse geochemical modeling was used to study to processes occurring in a volcanic aquifer. • Three flow sections were selected to apply inverse hydrogeochemical modeling. • Three main groundwater flows were identified: a local, intermediate and regional flow. • The models show that in the study area that groundwater is mixed with local recharge. • In the south, the aquifer has thermal influence.

  18. Diffuse Volcanism at the Young End of the Walvis Ridge - Tristan - Gough Seamount Province: Geochemical Sampling and Constraints on Plume Dynamics

    Science.gov (United States)

    Class, C.; Koppers, A. A. P.; Sager, W. W.; Schnur, S.

    2014-12-01

    The Walvis Ridge-Tristan/Gough seamount province in the South Atlantic represents 130 Myr of continuous intra-plate volcanism that can be connected to the once conjunct Parana-Etendeka flood basalt province. With this it represents one of the few primary hotspots consistent with the thermal plume model. However, around 60 Ma, the morphological expression of the Walvis Ridge changed drastically from a robust 200 km wide aseismic ridge into a 400 km wide region of diffuse and diminished volcanism. As a result, this part of the plume trail has been described by two subtracks, one ending at Tristan da Cunha and another at Gough Island more than 400 km to the SSE. Where the Walvis Ridge forks into these two tracks there is a center prong. There is also the 39.5°S lineament of seamounts between, but oblique to, the two subtracks, which is parallel to the local fracture zone directions. All these features are at odds with the classical definition of a narrow hotspot track although Rohde et al. (2013) showed that the Tristan and Gough subtracks retain a distinct geochemical signature over 70 Myr and are consistent with a zoned, deep-seated plume. The first Sr-Nd-Hf-Pb isotopic and trace element analyses from the detailed dredge sampling cruise MV1203 show that samples from two prominent seamounts at the western end of the 39.5°S lineament have a Gough-type signature, which makes an upper mantle source for this lineament unlikely but rather indicates that the Gough-type source stretches some 200 km NNW from Gough. Tristan track seamount samples are comparable with published data, however, one new sample has a Gough-type composition suggesting leakage of this component into the Tristan-type plume zone. Seamounts on the middle prong of the Walvis Ridge fork have compositions intermediate to Gough and Tristan domains, suggesting mixing between sources or melts of the two domains. Thus, the Gough-component in the last 60 Myr of plume activity is volumetrically much more

  19. Geochemical modeling and assessment of leaching from carbonated municipal solid waste incinerator (MSWI) fly ash.

    Science.gov (United States)

    Wang, Lei; Chen, Qi; Jamro, Imtiaz Ali; Li, Rundong; Li, Yanlong; Li, Shaobai; Luan, Jingde

    2016-06-01

    Municipal solid waste incinerator (MSWI) fly ashes are characterized by high calcium oxide (CaO) content. Carbon dioxide (CO2) adsorption by MSWI fly ash was discussed based on thermogravimetry (TG)/differential thermal analysis (DTA), minerology analysis, and adapting the Stenoir equation. TG/DTA analysis showed that the weight gain of the fly ash below 440 °C was as high as 5.70 %. An adapted Stenoir equation for MSWI fly ash was discussed. The chloride in MSWI fly ash has a major impact on CO2 adsorption by MSWI fly ash or air pollution control (APC) residues. Geochemical modeling of the critical trace elements copper (Cu), cadmium (Cd), zinc (Zn), lead (Pb), and antimony (Sb) before and after carbonation was performed using a thermodynamic equilibrium model for solubility and a surface complexation model for metal sorption. Leaching of critical trace elements was generally found to be strongly dependent on the degree of carbonation attained, and their solubility appeared to be controlled by several minerals. Adsorption on ferrum (Fe) and aluminum (Al) colloids was also responsible for removal of the trace elements Cd, Pb, and Sb. We used Hakanson's potential ecological risk index (HPERI) to evaluate the risk of trace element leaching in general. The results demonstrate that the ecological risk showed a V-shaped dependency on pH; the optimum pH of the carbonated fly ash was found to be 10.3-11, resulting from the optimum carbonation (liquid-to-solid (L/S) ratio = 0.25, carbonation duration = ∼30-48 h). The dataset and modeling results presented here provide a contribution to assessing the leaching behavior of MSWI fly ash under a wide range of conditions.

  20. Assessment of microbiological development in nuclear waste geological disposal: a geochemical modeling approach

    Energy Technology Data Exchange (ETDEWEB)

    Esnault, Loic [ECOGEOSAFE, Technopole de l' Environnement Arbois-Mediterranee, 13545 Aix en Provence (France); Libert, Marie; Bildstein, Olivier [CEA, DEN, DTN/SMTM/LMTE - 13108 Saint Paul lez Durance (France)

    2013-07-01

    Deep geological environments are very often poor or devoid of biodegradable organic molecules, but hydrogen could be an efficient energetic source to replace organic matter and promote redox processes such as reduction of O{sub 2}, NO{sub 3}{sup -}, Fe{sup 3+}, SO{sub 4}{sup 2-} and CO{sub 2}. Moreover, the accessibility and availability of H{sub 2} and nutrients depend on gas/liquid permeability and their migration in the clay-stone porosity through the excavation damaged zone (EDZ). This study evaluates the spatial and temporal evolution of the geochemical conditions with regard to microbial development. The corrosion process in the argillite is investigated using numerical modeling over a period of 100,000 years. The development of bacterial biomass is estimated using potential redox reactions catalyzed by microorganisms and available nutrients. The simulations show that after the thermal peak (ca. 100-1000 years), physico-chemical conditions are favourable to support bacterial life. Relevant amounts of H{sub 2} and nutrients are released and migrate over the first 2 m of the argillite. Most of the biological redox process are localised close to the container where a high amount of magnetite is produced, providing Fe(III) (electron acceptor) that favours the development of iron-reducing bacteria (IRB). (authors)

  1. Geochemical modelling of grout-groundwater-rock interactions at the seal-rock interface

    International Nuclear Information System (INIS)

    Alcorn, S.; Christian-Frear, T.

    1992-02-01

    Theoretical investigations into the longevity of repository seals have dealt primarily with the development of a methodology to evaluate interactions between portland cement-based grout and groundwater. Evaluation of chemical thermodynamic equilibria among grout, groundwater, and granitic host rock phases using the geochemical codes EQ3NR/EQ6 suggests that a fracture filled with grout and saturated with groundwater will tend to fill and 'tighten' with time. These calculations predict that some grout and rock phases will dissolve, and that there will be precipitation of secondary phases which collectively have a larger overall volume than that of the material dissolved. Model assumptions include sealing of the fracture in a sluggish hydrologic regime (low gradient) characterized by a saline groundwater environment. The results of the calculations suggest that buffering of the fracture seals chemical system by the granitic rock may be important in determining the long-term fate of grout seals and the resulting phase assemblage in the fracture. The similarity of the predicted reaction product phases to those observed in naturally filled fractures suggests that with time equilibrium will be approached and grouted fractures subject to low hydrologic gradients will continue to seal. If grout injected into fractures materially reduces groundwater flux, the approach to chemical equilibrium will likely be accelerated. In light of this, even very thin or imperfectly grouted fractures would tighten in suitable hydrogeologic environments. In order to determine the period of time necessary to approach equilibrium, data on reaction rates are required. (au)

  2. Geochemical modeling of leaching from MSVI air-pollution-control residues

    DEFF Research Database (Denmark)

    Astrup, Thomas; Dijkstra, J.J.; Comans, R.N.J.

    2006-01-01

    This paper provides an improved understanding of the leaching behavior of waste incineration air-pollution-control (APC) residues in a long-term perspective. Leaching was investigated by a series of batch experiments reflecting leaching conditions after initial washout of highly soluble salts from...... residues. Leaching experiments were performed at a range of pH-values using carbonated and noncarbonated versions of two APC residues. The leaching data were evaluated by geochemical speciation modeling and discussed with respect to possible solubility control. The leaching of major elements as well...... of Al, Ba, Ca, Cr, Pb, S, Si, V, and Zn was found influenced by solubility control from Al2O3, Al(OH)3, Ba(S,Cr)O4 solid solutions, BaSO4, Ca6Al2(SO4)3(OH)12â26H2O, CaAl2Si4O12â2H2O, Ca-(OH)2, CaSiO3, CaSO4â2H2O, CaZn2(OH)6â2H2O, KAlSi2O6, PbCO3, PbCrO4, Pb2O3, Pb2V2O7, Pb3(VO4)2, ZnO, Zn2SiO4, and Zn...

  3. Quantitative study of Portland cement hydration by X-Ray diffraction/Rietveld analysis and geochemical modeling

    Science.gov (United States)

    Coutelot, F.; Seaman, J. C.; Simner, S.

    2017-12-01

    In this study the hydration of Portland cements containing blast-furnace slag and type V fly ash were investigated during cement curing using X-ray diffraction, with geochemical modeling used to calculate the total volume of hydrates. The goal was to evaluate the relationship between the starting component levels and the hydrate assemblages that develop during the curing process. Blast furnace-slag levels of 60, 45 and 30 wt.% were studied in blends containing fly ash and Portland cement. Geochemical modelling described the dissolution of the clinker, and predicted quantitatively the amount of hydrates. In all cases the experiments showed the presence of C-S-H, portlandite and ettringite. The quantities of ettringite, portlandite and the amorphous phases as determined by XRD agreed well with the calculated amounts of these phases after different periods of time. These findings show that changes in the bulk composition of hydrating cements can be described by geochemical models. Such a comparison between experimental and modelled data helps to understand in more detail the active processes occurring during cement hydration.

  4. Modeling multicomponent ionic transport in groundwater with IPhreeqc coupling: Electrostatic interactions and geochemical reactions in homogeneous and heterogeneous domains

    DEFF Research Database (Denmark)

    Muniruzzaman, Muhammad; Rolle, Massimo

    2016-01-01

    is coupled with the geochemical code PHREEQC-3 by utilizing the IPhreeqc module, thus enabling to perform the geochemical calculations included in the PHREEQC's reaction package. The multicomponent reactive transport code is benchmarked with different 1-D and 2-D transport problems. Successively...... the electrostatic interactions during transport of charged ions in physically and chemically heterogeneous porous media. The modeling approach is based on the local charge balance and on the description of compound-specific and spatially variable diffusive/dispersive fluxes. The multicomponent ionic transport code......, conservative and reactive transport examples are presented to demonstrate the capability of the proposed model to simulate transport of charged species in heterogeneous porous media with spatially variable physical and chemical properties. The results reveal that the Coulombic cross-coupling between dispersive...

  5. Geochemical monitoring of volcanic lakes. A generalized box model for active crater lakes

    Directory of Open Access Journals (Sweden)

    Franco Tassi

    2011-06-01

    Full Text Available

    In the past, variations in the chemical contents (SO42−, Cl−, cations of crater lake water have not systematically demonstrated any relationships with eruptive activity. Intensive parameters (i.e., concentrations, temperature, pH, salinity should be converted into extensive parameters (i.e., fluxes, changes with time of mass and solutes, taking into account all the internal and external chemical–physical factors that affect the crater lake system. This study presents a generalized box model approach that can be useful for geochemical monitoring of active crater lakes, as highly dynamic natural systems. The mass budget of a lake is based on observations of physical variations over a certain period of time: lake volume (level, surface area, lake water temperature, meteorological precipitation, air humidity, wind velocity, input of spring water, and overflow of the lake. This first approach leads to quantification of the input and output fluxes that contribute to the actual crater lake volume. Estimating the input flux of the "volcanic" fluid (Qf- kg/s –– an unmeasurable subsurface parameter –– and tracing its variations with time is the major focus during crater lake monitoring. Through expanding the mass budget into an isotope and chemical budget of the lake, the box model helps to qualitatively characterize the fluids involved. The (calculated Cl− content and dD ratio of the rising "volcanic" fluid defines its origin. With reference to continuous monitoring of crater lakes, the present study provides tips that allow better calculation of Qf in the future. At present, this study offers the most comprehensive and up-to-date literature review on active crater lakes.

  6. Geochemical modeling (EQ3/6) plan: Office of Civilian Radioactive Waste Management Program

    International Nuclear Information System (INIS)

    McKenzie, W.F.; Wolery, T.J.; Delany, J.M.; Silva, R.J.; Jackson, K.J.; Bourcier, W.L.; Emerson, D.O.

    1986-01-01

    This plan replaces an earlier plan for the Nevada Nuclear Waste Storage Investigations (NNWSI) Project. It includes activities for all repository projects in the Office of Geologic Repositories: NNWSI, the Basalt Waste Isolation Project, the Salt Repository Project, and the Crystalline Project. Each of these projects is part of the Office of Civilian Radioactive Waste Management (OCRWM) Program. The scope of work for fiscal years 1986 to 1992 includes the work required to upgrade the geochemical codes and supporting data bases, to permit modeling of chemical processes associated with nuclear waste repositories in four geological environments: tuff, salt, basalt, and crystalline rock. Planned tasks include theoretical studies and code development to take account of the effects of precipitation kinetics, sorption, solid solutions, glass/water interactions, variable gas fugacities, and simple mass transport. Recent progress has been made in the ability of the codes to account for precipitation kinetics, highly-saline solutions, and solid solutions. Transition state theory was re-examined resulting in new insights that will provide the foundation for further improvements necessary to model chemical kinetics. Currently there is an increased effort that is concentrated on the supporting data base. For aqueous species and solid phases, specific to nuclear waste, requisite thermodynamic values reported in the literature are being evaluated and for cases where essential data is lacking, laboratory measurements will be carried out. Significant modifications and expansions have been made to the data base. During FY86, the total number of species in the data base has almost doubled and many improvements have been made with regard to consistency, organization, user applications, and documentation. Two Ridge computers using a RISC implementation of UNIX were installed; they are completely dedicated EQ3/6 machines

  7. Geochemical modeling (EQ3/6) plan: Office of Civilian Radioactive Waste Management Program

    Energy Technology Data Exchange (ETDEWEB)

    McKenzie, W.F.; Wolery, T.J.; Delany, J.M.; Silva, R.J.; Jackson, K.J.; Bourcier, W.L.; Emerson, D.O.

    1986-08-28

    This plan replaces an earlier plan for the Nevada Nuclear Waste Storage Investigations (NNWSI) Project. It includes activities for all repository projects in the Office of Geologic Repositories: NNWSI, the Basalt Waste Isolation Project, the Salt Repository Project, and the Crystalline Project. Each of these projects is part of the Office of Civilian Radioactive Waste Management (OCRWM) Program. The scope of work for fiscal years 1986 to 1992 includes the work required to upgrade the geochemical codes and supporting data bases, to permit modeling of chemical processes associated with nuclear waste repositories in four geological environments: tuff, salt, basalt, and crystalline rock. Planned tasks include theoretical studies and code development to take account of the effects of precipitation kinetics, sorption, solid solutions, glass/water interactions, variable gas fugacities, and simple mass transport. Recent progress has been made in the ability of the codes to account for precipitation kinetics, highly-saline solutions, and solid solutions. Transition state theory was re-examined resulting in new insights that will provide the foundation for further improvements necessary to model chemical kinetics. Currently there is an increased effort that is concentrated on the supporting data base. For aqueous species and solid phases, specific to nuclear waste, requisite thermodynamic values reported in the literature are being evaluated and for cases where essential data is lacking, laboratory measurements will be carried out. Significant modifications and expansions have been made to the data base. During FY86, the total number of species in the data base has almost doubled and many improvements have been made with regard to consistency, organization, user applications, and documentation. Two Ridge computers using a RISC implementation of UNIX were installed; they are completely dedicated EQ3/6 machines.

  8. Geochemical and flow modelling as tools in monitoring managed aquifer recharge

    International Nuclear Information System (INIS)

    Niinikoski, Paula; Saraperä, Sami; Hendriksson, Nina; Karhu, Juha A.

    2016-01-01

    Due to a growing world population and the effects of anthropogenic climate change, access to clean water is a growing global concern. Managed aquifer recharge (MAR) is a method that can help society's response to this increasing demand for pure water. In MAR, the groundwater resources are replenished and the quality of the recharged surface water is improved through effects such as the removal of organic matter. This removal occurs through mechanisms such as microbial decomposition, which can be monitored by studying the isotopic composition of dissolved inorganic carbon (DIC). Nevertheless, the monitoring can be difficult when there are other factors, like dissolving calcite, affecting the isotopic composition of DIC. The aims of this study were to establish a method for monitoring the decomposition of organic matter (dissolved organic carbon – DOC) in cases where calcite dissolution adds another component to the DIC pool, and to use this method to monitor the beginning and amount of DOC decomposition on a MAR site at Virttaankangas, southwestern Finland. To achieve this, we calculated the mean residence times of infiltrated water in the aquifer and the fractions of this water reaching observation wells. We conducted geochemical modelling, using PHREEQC, to estimate the amount of DOC decomposition and the mineral reactions affecting the quality of the water. - Highlights: • The decomposition of DOC in MAR systems is residence time dependent. • High pH environment can delay the beginning of the decomposition process. • Shortest travel times do not correlate with mean residence times in MAR systems.

  9. Experiments and geochemical modelling of CO{sub 2} sequestration by olivine: Potential, quantification

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, B., E-mail: Bruno.Garcia@ifp.fr [Institut Francais du Petrole, 1 et 4 Avenue du Bois Preau, 92852 Rueil Malmaison (France); Beaumont, V.; Perfetti, E.; Rouchon, V.; Blanchet, D. [Institut Francais du Petrole, 1 et 4 Avenue du Bois Preau, 92852 Rueil Malmaison (France); Oger, P.; Dromart, G. [Universite de Lyon, CNRS, UMR 5570, ENS de Lyon, Site Monod, 15 Parvis Rene Descartes BP 7000, Lyon F-69342 (France); Huc, A.-Y.; Haeseler, F. [Institut Francais du Petrole, 1 et 4 Avenue du Bois Preau, 92852 Rueil Malmaison (France)

    2010-09-15

    Aqueous solutions equilibrated with supercritical CO{sub 2} (150 deg. C and total pressure of 150 bar) were investigated in order to characterize their respective conditions of carbonation. Dissolution of olivine and subsequent precipitation of magnesite with a net consumption of CO{sub 2} were expected. A quantified pure mineral phase (powders with different olivine grain diameter [20-80 {mu}m], [80-125 {mu}m], [125-200 {mu}m] and [>200 {mu}m]), and CO{sub 2} (as dried ice) were placed in closed-batch reactors (soft Au tubes) in the presence of solutions. Different salinities (from 0 to 3400 mM) and different ratios of solution/solid (mineral phase) (from 0.1 to 10) were investigated. Experiments were performed over periods from 2 to 8 weeks. Final solid products were quantified by the Rock-Eval 6 technique, and identified using X-ray diffraction, Raman spectroscopy, electron microprobe and scanning electron microscopy. Gaseous compounds were quantified by a vacuum line equipped with a Toepler pump and identified and measured by gas chromatography (GC). Carbon mass balances were calculated. Olivine reacted completely with CO{sub 2}, trapping up to 57 {+-} 2% (eqC of initial CO{sub 2}) as magnesite; some amorphous silica also formed. Olivine grain diameter and solution/mineral ratios appeared to be the primary controls on the reaction, salinity acting as a second order parameter. During the experiments, fluid analyses may not be performed with approach adopted but, geochemical modelling was attempted to give information about the solution composition. This showed an interesting mineral matrix evolution. Under the experimental conditions, olivine appeared to be a good candidate for CO{sub 2} trapping into a geologically stable carbonate, magnesite. The possible use of mafic and ultramafic rocks for CO{sub 2} sequestration is discussed.

  10. Studying uranium migration in natural environment: experimental approach and geochemical modeling

    International Nuclear Information System (INIS)

    Phrommavanh, V.

    2008-10-01

    The present study deals with characterizing uranium migration in a limited zone of Le Bouchet site, a former uranium ore treatment facility, which is dismantled and the rehabilitation of which is under process. Some wastes are packed in a rehabilitated disposal nearby, called the Itteville site. In the framework of the monitoring of the deposit environment (air, water, sediment) set by prefectorial decrees, a piezometer (PZPK) located downstream to the latter, has shown total dissolved uranium peaks each winter since the 1990's. PZPK collects both the interstitial water of a calcareous peat formation, between the surface and 3 m, and an alluvial aquifer near 6 m of depth. Firstly, a hydrogeochemical characterization of the site has evidenced the uranium source term, which is present in the peat soil near 0.8 m, hence excluding any leaching from the waste disposal. Actually, a few microparticles of uranium oxide and mixed uranium-thorium oxide have been detected, but they do not represent the major part of the source term. Secondly, water chemistry of the peat soil water and PZPK has been monitored every two months from 2004 to 2007 in order to understand the reasons of the seasonal fluctuations of [U]tot.diss.. Completed with geochemical modeling and a bacterial identification by 16S rDNA sequence analysis, water chemistry data showed an important sulfate-reducing bacterial activity in summertime, leading to reducing conditions and therefore, a total dissolved uranium content limited by the low solubility of uraninite U IV O 2 (s). In wintertime, the latter bacterial activity being minimal and the effective pluviometry more important, conditions are more oxidant, which favors U(VI), more soluble, notably as the Ca 2 UO 2 (CO 3 ) 3 (aq) complex, evidenced by TRLFS. Finally, bacterial activity has been reproduced in laboratory in order to better characterize its impact on uranium solubility in the peat soil. Various parameters were tested (C sources, temperature

  11. 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

  12. Preliminary modelling study of geochemical interactions between a used-fuel disposal vault and the surrounding geosphere

    International Nuclear Information System (INIS)

    McMurry, J.

    1995-10-01

    In the Environmental Impact Statement (EIS) and the related documents that describe the Canadian nuclear fuel waste disposal concept (AECL 1994), it has been assumed that a disposal vault would have no significant geochemical impact on the geosphere, and so no such effects were included explicitly in the postclosure assessment model. The purpose of this study was to estimate the general magnitude and significance of vault-induced geochemical changes over an expected range of temperatures. The results of the preliminary modelling are used broadly to evaluate the implications of these changes for the migration of radionuclides through the geosphere. The geochemical modelling program PHREEQE was used to calculate the changes in mineral solubilities that would result from the transfer of aqueous species from the vault to the geosphere or that would result from groundwater-granite interactions enhanced by vault-derived elevated temperatures. Twelve representative vault water compositions, derived from predicted interactions with buffer material and backfill over a range of temperatures up to 95 deg C, were used in the modelling. For the conditions modelled it was determined that the interactions of the geosphere with dissolved vault constituents, and the relatively modest maximum increase in groundwater temperature produced by a vault, would have a limited impact on the geosphere. The conclusions of this preliminary study are qualified by some of the simplifying assumptions used in the modelling. More realistic modelling of natural systems requires a more detailed representation of water-solid interactions with a variety of vault materials at elevated temperatures. (author) 48 refs., 13 tabs, 4 figs

  13. 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

  14. Influence of organic matter on the solubility of ThO2 and geochemical modeling

    International Nuclear Information System (INIS)

    Liu Dejun; Luo Tian; Maes, N.; Bruggeman, C.

    2014-01-01

    Thorium (IV) is widely considered in laboratory experiments as a suitable chemical analogue for long-lived tetravalent actinides. Th (IV) is redox-insensitive, as an analogue for U (IV) to study the influence of natural organic matter on the solubility. The solubility of crystalline ThO 2 (cr) has been measured under geochemical conditions representative for the Boom Clay using Real Boom Clay Water containing organic matter to assess its influence on the ThO 2 (cr) solubility. For the purpose of comparison, Aldrich Humic Acid was also investigated. Solubility measurements of ThO 2 (cr) were approached from under-saturation in an anaerobic glove box with a controlled Ar0.4%CO 2 atmosphere. Th concentration is determined after 30000 MWCO, 300000 MWCO, and 0.45 μm filtration to distinguish solid (0.45 μm), larger colloids (300000 MWCO), and small dissolved species(30000 MWCO). X-ray diffraction was carried out to investigate the transformation of ThO 2 (cr) phase during the contact with Boom Clay Water. In Synthetic Boom Clay Water (without organic matter) the concentrations of Th (IV) are 5 × l0 -ll mol/L, 4 × lO -10 mol/L, and 8 × lO -8 mol/L after 30000 MWCO, 300000 MWCO, and 0. 45 μm filtration, respectively. It indicated the existence of inorganic colloids in solution. The increase of the total Th solution concentration with increasing organic matter concentration revealed a complexation-like interaction between Th and organic matter. All the experimental data could be modeled by Tipping humic ion-binding model VI using a combination of solubility calculations and complexation reactions between Th (IV) and organic matter functional groups. Similar to the investigation of Eu 3+ solubility, the affinity of organic matter for Th was higher for Aldrich humic acid compared to Boom Clay organic matter. However, Boom Clay organic matter with different size had the similar complexation affinity with Th (IV). (authors)

  15. Modeling coupled thermal, flow, transport and geochemical processes controlling near field long-term evolution

    International Nuclear Information System (INIS)

    Zhou, W.; Arthur, R.; Xu, T.; Pruess, K.

    2005-01-01

    precipitation/dissolution and solute transport. Preliminary results show that during the early heating phase, reactions strongly depend on the magnitude of the temperature gradient across the buffer. As the temperature gradient diminishes, reactions are increasingly dominated by groundwater solutes diffusing into the bentonite pore water from the host rock. Bentonite effective diffusion coefficient plays an important role to long-term solute transport. [1] Arthur, R., W. Zhou, and B. Stromberg, (2003), 'THC modeling of the non-isothermal phase of near-field evolution' in Proceedings of the 10. International High-Level Radioactive Waste Management Conference, March 30-April 2, 2003, Las Vegas, Nevada, USA. [2] Hoekmark, H. and B. Faelth, (2003), Thermal dimensioning of the deep repository, SKB TR-03- 09, Swedish Nuclear Fuel and Waste Management Co., Stockholm, Sweden. [3] Bruno, J. D. Arcos, and L. Duro, (1999), Processes and features affecting the near field hydro-chemistry, SKB TR-99-29, Swedish Nuclear Fuel and Waste Management Co., Stockholm, Sweden. [4] Xu, T., E. Sonnenthal, N. Spycher, and K. Pruess, (2003), TOUGHREACT User's Guide: A Simulation Program for Non-isothermal Multiphase Reactive Geochemical Transport in Variably Saturated Geologic Media, LBNL-55460, Lawrence Berkeley National Laboratory, Berkeley, California, USA. (authors)

  16. 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

  17. Geochemical modeling of orogenic gold deposit using PCANN hybrid method in the Alut, Kurdistan province, Iran

    Science.gov (United States)

    Mohammadzadeh, Mohammadjafar; Nasseri, Aynur

    2018-03-01

    In this paper stream sediments based geochemical exploration program with the aim of delineating potentially promising areas by a comprehensive stepwise optimization approach from univariate statistics, PCA, ANN, and fusion method PCANN were under taken for an orogenic gold deposit located in the Alut, Kurdistan province, NW of Iran. At first the data were preprocessed and then PCA were applied to determine the maximum variability directions of elements in the area. Subsequently the artificial neural network (ANN) was used for quick estimation of elemental concentration, as well as discriminating anomalous populations and intelligent determination of internal structure among the data. However, both the methods revealed constraints for modeling. To overcome the deficiency and shortcoming of each individual method a new methodology is presented by integration of both "PCA & ANN" referred as PCANN method. For integrating purpose, the detected PCs pertinent to ore mineralization selected and intruded to neural network structure, as a result different MLPs with various algorithms and structures were produced. The resulting PCANN maps suggest that the gold mineralization and its pathfinder elements (Au, Mo, W, Bi, Sb, Cu, Pb, Ag & As) are associated with metamorphic host rocks intruded by granite bodies in the Alut area. In addition, more concealed and distinct Au anomalies with higher intensity were detected, confirming the privileges of the method in evaluating susceptibility of the area in delineating new hidden potential zones. The proposed method demonstrates simpler network architecture, easy computational implementation, faster training speed, as well as no need to consider any primary assumption about the behavior of data and their probability distribution type, with more satisfactory predicting performance for generating gold potential map of the area. Comparing the results of three methods (PCA, ANN and PCANN), representing the higher efficiency and more

  18. Speciation of magnesium in monohydrocalcite: XANES, ab initio and geochemical modeling

    Science.gov (United States)

    Fukushi, Keisuke; Suzuki, Yuma; Kawano, Jun; Ohno, Takeshi; Ogawa, Masahiro; Yaji, Toyonari; Takahashi, Yoshio

    2017-09-01

    Monohydrocalcite (MHC: CaCO3·H2O), a rare carbonate mineral formed under surface conditions, is usually observed in nature as containing a variable amount of Mg, with a 0.007-0.45 Mg/Ca mole ratio. The variable Mg composition in MHC is anticipated as a promising proxy to assess paleo-hydrochemistry especially in saline lakes. Although the roles of Mg on the formation and stability of MHC have been studied intensively, the Mg speciation in MHC has remained unclear and controversial. This study examined Mg speciation in MHC using X-ray absorption near edge structure (XANES), ab initio molecular simulation, and geochemical modeling. Mg-XANES spectra of MHC with different Mg/Ca ratios prepared from mixing solutions of Na2CO3, CaCl2 and MgCl2 revealed that the Mg in MHC is a mixture of amorphous Mg carbonate (AMC) and other Mg containing phase. The contribution of AMC to total Mg is negatively correlated to the crystallinity of MHC. Results show that AMC might play a protective role in the crystallization and the transformation to stable calcium carbonates. Ab initio calculation of Mg2+ substitution into MHC showed that a limited amount of Mg2+ can be incorporated into the MHC structure. Six-fold coordination of Mg2+ is substituted for eight-fold coordination of Ca2+ in the MHC structure. The other type of Mg in MHC revealed from the XANES analyses most likely corresponds to the structural Mg in MHC. The contribution of the structural Mg is almost constant at 0.06 in Mg/Ca, representing the limit of solid solubility of Mg in MHC. The solubility products of the MHC with the limit of solid solubility of Mg and the AMC associated with MHC were estimated from the reacted solution compositions. Prediction of the Mg/Ca ratio as a function of the initial solution conditions using solubility reasonably reproduces the observed apparent Mg/Ca ratios in MHC from the present study and earlier studies. The apparent Mg/Ca ratio of MHC is useful to elucidate water chemistry

  19. Geochemical modeling of reactions and partitioning of trace metals and radionuclides during titration of contaminated acidic sediments.

    Science.gov (United States)

    Zhang, Fan; Luo, Wensui; Parker, Jack C; Spalding, Brian P; Brooks, Scott C; Watson, David B; Jardine, Philip M; Gu, Baohua

    2008-11-01

    Many geochemical reactions that control aqueous metal concentrations are directly affected by solution pH. However, changes in solution pH are strongly buffered by various aqueous phase and solid phase precipitation/dissolution and adsorption/desorption reactions. The ability to predict acid-base behavior of the soil-solution system is thus critical to predict metal transport under variable pH conditions. This studywas undertaken to develop a practical generic geochemical modeling approach to predict aqueous and solid phase concentrations of metals and anions during conditions of acid or base additions. The method of Spalding and Spalding was utilized to model soil buffer capacity and pH-dependent cation exchange capacity by treating aquifer solids as a polyprotic acid. To simulate the dynamic and pH-dependent anion exchange capacity, the aquifer solids were simultaneously treated as a polyprotic base controlled by mineral precipitation/ dissolution reactions. An equilibrium reaction model that describes aqueous complexation, precipitation, sorption and soil buffering with pH-dependent ion exchange was developed using HydroGeoChem v5.0 (HGC5). Comparison of model results with experimental titration data of pH, Al, Ca, Mg, Sr, Mn, Ni, Co, and SO4(2-) for contaminated sediments indicated close agreement suggesting that the model could potentially be used to predictthe acid-base behavior of the sediment-solution system under variable pH conditions.

  20. 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.

  1. Modelling of long term geochemical evolution and study of mechanical perturbation of bentonite buffer of a KBS-3 repository

    Energy Technology Data Exchange (ETDEWEB)

    Marsal, Francois; Pellegrini, Delphine; Deleruyelle, Frederic; Serres, Christophe (French Inst. for Radiological Protection and Nuclear Safety (IRSN), Fontenay-aux-Roses (FR)); Windt, Laurent de (Ecole des Mines de Paris, Paris (FR))

    2008-03-15

    simulated intrusion of oxidizing waters lead to a limited perturbation, i.e. localized within bentonite near the fracture plane level. Actually, the calculated evolutions are relatively slow, so that in some cases the buffer remains in a transient stage over the whole simulation period and thus could turn heterogeneous in geochemical properties. Regarding the effect of temperature, a heterogeneous evolution is again observed, with moderate to slight dissolution-precipitation reactions either on the inner or outer border of the buffer (warmer and cooler zones) depending on the accessory minerals. These main trends in bentonite geochemical evolutions are in good agreement with the results presented in SR-Can and in Arcos et al., though some discrepancies have been pointed out, that can be explained by differences in modelling input data (mainly regarding log K values). Finally, issues in terms of processes and data would worth being further investigated as they might have a significant influence on bentonite evolutions, such as the thermohydraulic coupling of processes during the initial transient phase or the stability of montmorillonite. PART II: Elements of the SR-Can project relative to piping and erosion phenomena of bentonite components of a KBS-3 repository are analysed with regard to the experience feedback available at IRSN and consisting in experimental results obtained on samples at the UJF-Grenoble between 2000 and 2004. A synthesis of these tests is presented, with a closer attention to the Argillite/Bentonite tests during which phenomena of erosion occurred. The reference evolution of a KBS-3 repository, the resaturation and swelling kinetics of backfills and buffers and the possibility for a buffer to swell upwards the backfill have been considered. According to the reviewed documents, IRSN notes that the SR-Can project tackles the piping and erosion phenomena with local modellings and 'rough estimates', the latter being based on 3 &apos

  2. Geochemical modeling of the influence of silicate mineral alteration on alkalinity production and carbonate precipitation

    Science.gov (United States)

    Herda, Gerhard; Kraemer, Stephan M.; Gier, Susanne; Meister, Patrick

    2016-04-01

    High CO2 partial pressure (pCO2) in deep rock reservoirs causes acidification of the porefluid. Such conditions occur during injection and subsurface storage of CO2 (to prevent the release of greenhouse gas) but also naturally in zones of strong methanogenic microbial activity in organic matter-rich ocean margin sediments. The acidic fluids are corrosive to carbonates and bear the risk of leakage of CO2 gas to the surface. Porefluid acidification may be moderated by processes that increase the alkalinity, i.e. that produce weak acid anions capable of buffering the acidification imposed by the CO2. Often, alkalinity increases as a result of anaerobic microbial activity, such as anaerobic oxidation of methane. However, on a long term the alteration of silicates, in particular, clay minerals, may be a more efficient mechanism of alkalinity production. Under altered temperature, pressure and porefluid composition at depth, clay minerals may change to thermodynamically more stable states, thereby increasing the alkalinity of the porefluid by partial leaching of Mg-(OH)2 and Ca-(OH)2 (e.g. Wallmann et al., 2008; Mavromatis et al., 2014). This alteration may even be enhanced by a high pCO2. Thus, silicate alteration can be essential for a long-term stabilization of volatile CO2 in the form of bicarbonate or may even induce precipitation of carbonate minerals, but these processes are not fully understood yet. The goal of this study is to simulate the alkalinity effect of silicate alteration under diagenetic conditions and high pCO2 by geochemical modeling. We are using the program PHREEQC (Parkhurst and Appelo, 2013) to generate high rock/fluid ratio characteristics for deep subsurface rock reservoirs. Since we are interested in the long-term evolution of diagenetic processes, over millions of years, we do not consider kinetics but calculate the theoretically possible equilibrium conditions. In a first step we are calculating the saturation state of different clay minerals

  3. Modeling geochemical stability of cement formulations for use as shaft liner and sealing components at Yucca Mountain

    International Nuclear Information System (INIS)

    Gardiner, M.A.; Myers, J.; Hinkebein, T.E.

    1990-01-01

    The geochemical modeling codes EQ3NR/EQ6 were used to model the interaction of cementitious materials with ground water from the Yucca Mountain proposed nuclear waste repository site in Nevada. This paper presents a preliminary estimate of the compositional changes caused by these interactions in the ground water and in the cement-based compounds proposed for use as sealing and shaft liner materials at the Yucca Mountain site. The geochemical speciation/solubility/reaction path codes EQ3NR/EQ6 were used to model the interaction of cementitious materials and water. Interaction of water with a cementitious material will result in dissolution of certain cement phases and changes in the water chemistry. These changes in the water chemistry may further lead to the precipitation of minerals either in the concrete or in the surrounding tuff at the Yucca Mountain Site (YMS). As part of a larger scoping study, a range of water, cement, and tuff compositions, temperatures, and reaction path modes were used. This paper presents a subset of that study by considering the interaction of three different cement formulations at 25 degree C with J-13 water using the ''closed'' reaction path mode. This subset was chosen as a base case to answer important questions in selecting the compositions of cementitious materials for use in the proposed repository. 8 refs., 1 fig., 3 tabs

  4. Tools and data for the geochemical modeling. Thermodynamic data for sulfur species and background salts and tools for the uncertainty analysis; WEDA. Werkzeuge und Daten fuer die Geochemische Modellierung. Thermodynamische Daten fuer Schwefelspezies und Hintergrundsalze sowie Tools zur Unsicherheitsanalyse

    Energy Technology Data Exchange (ETDEWEB)

    Hagemann, Sven; Schoenwiese, Dagmar; Scharge, Tina

    2015-07-15

    The report on tools and data for the geochemical modeling covers the following issues: experimental methods and theoretical models, design of a thermodynamic model for reduced sulfur species, thermodynamic models for background salts, tools for the uncertainty and sensitivity analyses of geochemical equilibrium modeling.

  5. 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

  6. Geochemical Investigations of Groundwater Stability

    International Nuclear Information System (INIS)

    Bath, Adrian

    2006-05-01

    palaeohydrogeological conditions. It is likely that inland areas have had longer durations of post-glacial fresh water infiltration than coastal areas, possibly causing greater degrees of dilution and dispersion of preexisting groundwaters and thus overprinting their hydrochemical and isotopic 'fingerprints'. Lower post-glacial hydraulic gradients relative to inland sites may account for the occurrence of more relict cold-climate water at coastal sites. Some general observations are based on rather thin evidence and therefore speculative. Firstly, it seems that glacial melt water penetrated many hundreds of metres and in some places to at least 1,000 m depth. However the low remaining proportions of melt water and of much older saline Shield water suggest that melt water flux did not fully displace pre-existing groundwaters at these depths. Secondly, where there has been post-glacial infiltration of palaeo-Baltic sea water, the density stratification or compartmentalisation effect coupled with low hydraulic gradient has reduced rates of subsequent fresh water circulation after shoreline recession. There are many uncertainties in interpreting these geochemical indicators in terms of the penetration depths of glacial melt waters and the degree to which they replace preexisting groundwaters, of other aspects of groundwater stability, and of comparisons between inland and coastal groundwater systems. Uncertainties derive partly from the reliability of groundwater samples as being representative of in situ conditions, and partly from the non-uniqueness of interpretative models. Future investigations using these approaches need to improve sampling, to make conjunctive use of geochemical and isotopic indicators which have varying timescales and sensitivities, and to integrate these indicators with palaeohydrogeological modelling to support the development of reliable groundwater flow and solute transport models for Performance Assessment

  7. Geochemical Investigations of Groundwater Stability

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-05-15

    local palaeohydrogeological conditions. It is likely that inland areas have had longer durations of post-glacial fresh water infiltration than coastal areas, possibly causing greater degrees of dilution and dispersion of preexisting groundwaters and thus overprinting their hydrochemical and isotopic 'fingerprints'. Lower post-glacial hydraulic gradients relative to inland sites may account for the occurrence of more relict cold-climate water at coastal sites. Some general observations are based on rather thin evidence and therefore speculative. Firstly, it seems that glacial melt water penetrated many hundreds of metres and in some places to at least 1,000 m depth. However the low remaining proportions of melt water and of much older saline Shield water suggest that melt water flux did not fully displace pre-existing groundwaters at these depths. Secondly, where there has been post-glacial infiltration of palaeo-Baltic sea water, the density stratification or compartmentalisation effect coupled with low hydraulic gradient has reduced rates of subsequent fresh water circulation after shoreline recession. There are many uncertainties in interpreting these geochemical indicators in terms of the penetration depths of glacial melt waters and the degree to which they replace preexisting groundwaters, of other aspects of groundwater stability, and of comparisons between inland and coastal groundwater systems. Uncertainties derive partly from the reliability of groundwater samples as being representative of in situ conditions, and partly from the non-uniqueness of interpretative models. Future investigations using these approaches need to improve sampling, to make conjunctive use of geochemical and isotopic indicators which have varying timescales and sensitivities, and to integrate these indicators with palaeohydrogeological modelling to support the development of reliable groundwater flow and solute transport models for Performance Assessment.

  8. A comparison of geochemical exploration techniques and sample media within accretionary continental margins: an example from the Pacific Border Ranges, Southern Alaska, U.S.A.

    Science.gov (United States)

    Sutley, S.J.; Goldfarb, R.J.; O'Leary, R. M.; Tripp, R.B.

    1990-01-01

    The Pacific Border Ranges of the southern Alaskan Cordillera are composed of a number of allochthonous tectonostratigraphic terranes. Within these terranes are widespread volcanogenic, massive sulfide deposits in and adjacent to portions of accreted ophiolite complexes, bands and disseminations of chromite in accreted island-arc ultramafic rocks, and epigenetic, gold-bearing quartz veins in metamorphosed turbidite sequences. A geochemical pilot study was undertaken to determine the most efficient exploration strategy for locating these types of mineral deposits within the Pacific Border Ranges and other typical convergent continental margin environments. High-density sediment sampling was carried out in first- and second-order stream channels surrounding typical gold, chromite and massive sulfide occurrences. At each site, a stream-sediment and a panned-concentrate sample were collected. In the laboratory, the stream sediments were sieved into coarse-sand, fine- to medium-sand, and silt- to clay-size fractions prior to analysis. One split of the panned concentrates was retained for analysis; a second split was further concentrated by gravity separation in heavy liquids and then divided into magnetic, weakly magnetic and nonmagnetic fractions for analysis. A number of different techniques including atomic absorption spectrometry, inductively coupled plasma atomic emission spectrometry and semi-quantitative emission spectrography were used to analyze the various sample media. Comparison of the various types of sample media shows that in this tectonic environment it is most efficient to include a silt- to clay-size sediment fraction and a panned-concentrate sample. Even with the relatively low detection limits for many elements by plasma spectrometry and atomic absorption spectrometry, anomalies reflecting the presence of gold veins could not be identified in any of the stream-sediment fractions. Unseparated panned-concentrate samples should be analyzed by emission

  9. Selenium isotope studies in plants. Development and validation of a novel geochemical tool and its application to organic samples

    Energy Technology Data Exchange (ETDEWEB)

    Banning, Helena

    2016-03-12

    Selenium (Se), being an essential nutrient and a toxin, enters the food chain mainly via plants. Selenium isotope signatures were proved to be an excellent redox tracer, making it a promising tool for the exploration of the Se cycle in plants. The analytical method is sensitive on organic samples and requires particular preparation methods, which were developed and validated in this study. Plant cultivation setups revealed the applicability of these methods to trace plant internal processes.

  10. Interaction between shallow and deep aquifers in the Tivoli Plain (Central Italy) enhanced by groundwater extraction: A multi-isotope approach and geochemical modeling

    International Nuclear Information System (INIS)

    Carucci, Valentina; Petitta, Marco; Aravena, Ramon

    2012-01-01

    In the Tivoli Plain (Rome, Central Italy) the interaction between shallow and deep groundwater flow systems enhanced by groundwater extraction has been investigated using isotopic and chemical tracers. A conceptual model of the groundwater flowpaths has been developed and verified by geochemical modeling. A combined hydrogeochemical and isotopic investigation using ion relationships such as DIC/Cl − , Ca/(Ca + Mg)/SO 4 /(SO 4 + HCO 3 ), and environmental isotopes (δ 18 O, δ 2 H, 87 Sr/ 86 Sr, δ 34 S and δ 13 C) was carried out in order to determine the sources of recharge of the aquifer, the origin of solutes and the mixing processes in groundwater of Tivoli Plain. Multivariate statistical methods such as principal component analysis and Cluster analyses have confirmed the existence of different geochemical facies and the role of mixing in the chemical composition of the groundwater. Results indicate that the hydrochemistry of groundwater is characterized by mixing between end-members coming directly from carbonate recharge areas and to groundwater circulating in a deeply buried Meso-Cenozoic carbonate sequence. The travertine aquifer is fed by both flow systems, but a local contribution by direct input in the Plain has also been recognized. The stable isotope data ( 18 O, 2 H, 13 C and 34 S) supports the flow system conceptual model inferred from the geochemical data and represents key data to quantify the geochemical mixing in the different groundwaters of the Plain. The results of numerical modeling (PHREEQC) are consistent with the flowpaths derived from the hydrogeochemical conceptual model. The inverse models performed generated the main geochemical processes occurring in the groundwater flow system, which also included mixing. Geochemical and isotope modeling demonstrate an increasing influence of groundwater from the deeply buried aquifer in the travertine aquifer, enhanced by lowering of the travertine aquifer water table due to quarry pumping.

  11. Geochemical Modeling of Trivalent Chromium Migration in Saline-Sodic Soil during Lasagna Process: Impact on Soil Physicochemical Properties

    Science.gov (United States)

    Bukhari, Alaadin; Al-Malack, Muhammad H.; Mu'azu, Nuhu D.; Essa, Mohammed H.

    2014-01-01

    Trivalent Cr is one of the heavy metals that are difficult to be removed from soil using electrokinetic study because of its geochemical properties. High buffering capacity soil is expected to reduce the mobility of the trivalent Cr and subsequently reduce the remedial efficiency thereby complicating the remediation process. In this study, geochemical modeling and migration of trivalent Cr in saline-sodic soil (high buffering capacity and alkaline) during integrated electrokinetics-adsorption remediation, called the Lasagna process, were investigated. The remedial efficiency of trivalent Cr in addition to the impacts of the Lasagna process on the physicochemical properties of the soil was studied. Box-Behnken design was used to study the interaction effects of voltage gradient, initial contaminant concentration, and polarity reversal rate on the soil pH, electroosmotic volume, soil electrical conductivity, current, and remedial efficiency of trivalent Cr in saline-sodic soil that was artificially spiked with Cr, Cu, Cd, Pb, Hg, phenol, and kerosene. Overall desirability of 0.715 was attained at the following optimal conditions: voltage gradient 0.36 V/cm; polarity reversal rate 17.63 hr; soil pH 10.0. Under these conditions, the expected trivalent Cr remedial efficiency is 64.75 %. PMID:25152905

  12. Kinetic and thermodynamic modelling of geochemical effects of a nuclear waste storage in granitic environment

    International Nuclear Information System (INIS)

    Made, B.; Fritz, B.

    1993-01-01

    In the world, various experimental sites are selected to study the behavior of different types of source rocks under nuclear waste storage influence. The surrounding rock tested to receive the waste storage must be a stable geological formation. In France, four geological formations are preselected for the feasibility study of repository for spent nuclear fuel at long term: shale, salt, clay and granite. At present time, numerous studies are carried out in Europe (Germany, Belgium, Sweden, Switzerland, United-Kingdom...), in North America (U.S.A. and Canada) and in Japan. Water-rock interactions control the most of rock transformations near the surface of the earth. The rock forming minerals react with the aqueous solutions, the primary minerals dissolution releases ionic species in solution and secondary minerals precipitate if equilibrium or oversaturation is reached. The weathering processes (hydrothermal or not) are always very complicated thus, geochemical codes has been developed to simulate the water-rock interactions. The first generation of codes is based on purely thermodynamic laws without reference to the time dependence of chemical reactions and then the dissolution path calculation refer to the irreversible dissolution of reactants and reversible precipitation of products ([1] to [4]). The system evolution is followed according to the reaction progress ξ which has been introduced in chemical system by Gibbs. Since few years, the experimental studies on the kinetics of minerals dissolution have allowed to take into account of dissolution rates data for the major minerals (silicates, carbonates...). More recently, a new geochemical codes generation appears based on thermodynamic potential and kinetic laws ([5] to [8]). The system evolution is followed according to the reaction time. (authors). 8 figs., 4 tabs., 24 refs

  13. The interpretation of geochemical logs from the oceanic basement: mineral modelling in Ocean Drilling Program (ODP) Hole 735B

    International Nuclear Information System (INIS)

    Harvey, P.K.; Lovell, M.A.; Bristow, J.F.

    1991-01-01

    Leg 118 of the Ocean Drilling Program was carried out in the vicinity of the Southwest Indian Ridge. Of the boreholes drilled, by far the most important and scientifically spectacular is Hole 735B which was located on a shallow platform adjacent to the Atlantis II Transform. This hole penetrates some 500 m of gabbroic rocks representing Layer 3 of the oceanic crust. The recovered gabbros show considerable variation both in mineralogy and in the degree of deformation. Core recovery averages 87% and there is excellent control and correlation between the core and the wide range of logs obtained. Mineralogy logs are derived and presented using both core sample data and downhole geochemical logs for Hole 735B. The problems of transforming these data for the particular mineralogy encountered are discussed. (Author)

  14. Targeting of Gold Deposits in Amazonian Exploration Frontiers using Knowledge- and Data-Driven Spatial Modeling of Geophysical, Geochemical, and Geological Data

    Science.gov (United States)

    Magalhães, Lucíola Alves; Souza Filho, Carlos Roberto

    2012-03-01

    This paper reports the application of weights-of-evidence, artificial neural networks, and fuzzy logic spatial modeling techniques to generate prospectivity maps for gold mineralization in the neighborhood of the Amapari Au mine, Brazil. The study area comprises one of the last Brazilian mineral exploration frontiers. The Amapari mine is located in the Maroni-Itaicaiúnas Province, which regionally hosts important gold, iron, manganese, chromite, diamond, bauxite, kaolinite, and cassiterite deposits. The Amapari Au mine is characterized as of the orogenic gold deposit type. The highest gold grades are associated with highly deformed rocks and are concentrated in sulfide-rich veins mainly composed of pyrrhotite. The data used for the generation of gold prospectivity models include aerogeophysical and geological maps as well as the gold content of stream sediment samples. The prospectivity maps provided by these three methods showed that the Amapari mine stands out as an area of high potential for gold mineralization. The prospectivity maps also highlight new targets for gold exploration. These new targets were validated by means of detailed maps of gold geochemical anomalies in soil and by fieldwork. The identified target areas exhibit good spatial coincidence with the main soil geochemical anomalies and prospects, thus demonstrating that the delineation of exploration targets by analysis and integration of indirect datasets in a geographic information system (GIS) is consistent with direct prospecting. Considering that work of this nature has never been developed in the Amazonian region, this is an important example of the applicability and functionality of geophysical data and prospectivity analysis in regions where geologic and metallogenetic information is scarce.

  15. Scientific fundamentals of the exploration and calculability of a waste repository. Project part III, sub-project 2: Validity and applicability of geochemical models

    International Nuclear Information System (INIS)

    Baumann, J.

    1991-04-01

    The thermodynamic computer models WATEQF, PHREEQE, EQ3NR/EQ6, and SOLMINEQ 88 have been verified for their applicability to describe geochemical processes in the system salt stock/cap rock/ground water, i.e. processes such as dissolution, sedimentation, exchange and redox reactions. To begin with, the hydrochemical data obtained by the hydrogeological survey at the Gorleben site have been evaluated to thus form a reference data base. Then, these data have been used to derive the essential conditions and benchmark data to establish a geochemical model. (HP) [de

  16. 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.)

  17. The flotation tailings of the former Pb-Zn mine of Touiref (NW Tunisia): mineralogy, mine drainage prediction, base-metal speciation assessment and geochemical modeling.

    Science.gov (United States)

    Othmani, Mohamed Ali; Souissi, Fouad; Bouzahzah, Hassan; Bussière, Bruno; da Silva, Eduardo Ferreira; Benzaazoua, Mostafa

    2015-02-01

    The underground extraction of Pb-Zn mineralization in the Touiref area stopped in 1958. A large volume of flotation tailings (more than 500 Mt) containing sulfides were deposited in a tailings impoundment. The goals of this study are to evaluate the neutralization capacity of the unoxidized and oxidized tailings, to assess the speciation of metals between the different components of the tailings material, and to assess the mobility of metals and the secondary minerals' precipitation in pore waters using geochemical modeling. To accomplish these objectives, representative samples from both fresh and oxidized zones were collected along a vertical profile through the tailings pile. Physical, chemical (ICP-MS), and mineralogical characterization (X-ray diffraction (XRD), reflected light microscopy, scanning electron microscope (SEM)) of these samples was performed. Grain size analysis shows that the tailings are dominated by silt- to sand-sized fractions. The microscopic observation highlights the presence of pyrite, marcasite, galena, and sphalerite as primary minerals in a carbonated matrix. The study reveals also the presence of secondary minerals represented by cerussite, smithsonite, anglesite, and Fe oxi-hydroxides as important scavengers for trace elements. The static tests show that the presence of calcite in the tailing samples ensures acid-neutralizing capacity (ANC), which is significantly greater than the acidity potential (PA). The geochemical characterization of the unoxidized samples shows higher Cd, Pb, and Zn concentrations than the oxidized samples containing the highest values for Fe and SO4. Sequential extraction tests show that significant percentages of metals are distributed between the acid-soluble fractions (Cd, Pb, and Zn) and the reducible one (Zn). Pore water analysis indicates that Ca is the dominant cation (8,170 and 6,200 mg L(-1), respectively), whereas sulfate is the principal anion (6,900 and 5,100 mg L(-1), respectively). Saturation

  18. Geochemical modelling and speciation studies of metal pollutants present in selected water systems in South Africa

    Science.gov (United States)

    Magu, M. M.; Govender, P. P.; Ngila, J. C.

    2016-04-01

    Metal pollutants in water poses great threats to living beings and hence requires to be monitored regularly to avoid loss of lives. Various analytical methods are available to monitor these pollutants in water and can be improved with time. Modelling of metal pollutants in any water system helps chemists, engineers and environmentalists to greatly understand the various chemical processes in such systems. Water samples were collected from waste water treatment plant and river from highlands close to its source all the way to the ocean as it passing through areas with high anthropogenic activities. Pre-concentration of pollutants in the samples was done through acid digestion and metal pollutants were analysed using inductively coupled plasma-optical emission spectra (ICP-OES) to determine the concentration levels. Metal concentrations ranged between 0.1356-0.4658 mg/L for Al; 0.0031-0.0050 mg/L for Co, 0.0019-0.0956 mg/L for Cr; 0.0028-0.3484 mg/L for Cu; 0.0489-0.3474 mg/L for Fe; 0.0033-0.0285 mg/L for Mn; 0.0056-0.0222 mg/L for Ni; 0.0265-0.4753 mg/L for Pb and 0.0052-0.5594 mg/L for Zn. Modelling work was performed using PHREEQC couple with Geochemist's workbench (GWB) to determine speciation dynamics and bioavailability of these pollutants. Modelling thus adds value to analytical methods and hence a better complementary tool to laboratory-based experimental studies.

  19. 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

  20. An integrated geochemical, geophysical and mineralogical study of river sediments in alpine area and soil samples near steel plant, in Austria

    Science.gov (United States)

    Irfan, M. I.; Meisel, T.

    2012-04-01

    Concentration of nickel and chromium in any part of the ecosystem is important for environmental concerns in particular human health due to the reason that some species of them can cause health problem e.g. dermatitis and cancer. Sediment samples collected form a river Vordernberger Bach (Leoben, Austria) in an alpine region and soil samples collected in an area adjacent to steel production unit in same narrow valley were investigated. In previous studies a correlation between magnetic susceptibility values and concentration of nickel and chromium showed that a magnetic susceptibility meter can be used to point out the contaminated areas as in-situ device. The purpose of the whole study is to understand the real (point or diffuse, anthropogenic or geogenic) sources of contamination of soils, water and river sediments through heavy metal deposition. Unseparated, magnetic and non-magnetic fractions of soil samples were investigated for geochemical and mineralogical aspects with XRF, ICP-MS, EMPA, Multi-Functional Kappabridge (MFK1) and laser ablation coupled with ICP-MS. Mineralogical study of sediment samples for several sampling points with higher Ni and Cr content was performed. Sediment samples were sieved below 1.4 mm and then a concentrate of heavy minerals was prepared in the field through panning. Concentrated heavy minerals were then subjected for heavy liquid separation in the laboratory. Separated magnetic and non-magnetic fractions below 0.71/0.1 mm and density greater than 2.9 g/cm3 were selected for mineralogical investigation. The abundance of typical anthropogenic particles, e.g., spherical, tinder, roasted ores, iron and steel mill slag was observed under the microscope. Magnetite (mostly anthropogenic), maghemite, chromspinel, chromite (type I & II), (Ca,Al)-ferrite, wustite, apatite (anthropogenic), olivine mixed crystals, calcium silicate and spinel (anthropogenic) are found in magnetic fraction. Non-magnetic fractions contain hematite, siderite

  1. Predictive geochemical modeling of uranium and other contaminants in laboratory columns in relatively oxidizing, carbonate-rich solutions

    International Nuclear Information System (INIS)

    Longmire, P.; Turney, W.R.; Mason, C.F.V.

    1994-01-01

    Carbonate heap leaching of uranium-contaminated soils and sediments represents a viable, cost-effective remediation technology. Column experiments have been conducted using 0.1, 0.25, and 0.5 M Na 2 CO 3 /NaHCO 3 solutions for leaching uranium from soils located adjacent to an incinerator at the Fernald Environmental Management Project (FEMP) site. Results from column experiments and geochemical modeling are used to quantitatively evaluate the effectiveness of heap leaching. Leach efficiencies of up to 72 wt.% of total uranium in CaO-agglomerated soil result from dissolution of uranium (U(VI)-dominated) minerals, formation of the soluble complex UO 2 (CO 3 ) 3 4- , and uranium desorption from clay minerals, ferric hydroxides, and humic acids. Parameters that control the extent of uranium extraction include pH, Eh, temperature, carbonate concentration, lixiviant-flow rate, pore-solution chemistry, solid phases, and soil texture

  2. 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

  3. Sample sizes and model comparison metrics for species distribution models

    Science.gov (United States)

    B.B. Hanberry; H.S. He; D.C. Dey

    2012-01-01

    Species distribution models use small samples to produce continuous distribution maps. The question of how small a sample can be to produce an accurate model generally has been answered based on comparisons to maximum sample sizes of 200 observations or fewer. In addition, model comparisons often are made with the kappa statistic, which has become controversial....

  4. Performance of a Zerovalent Iron Reactive Barrier for the Treatment of Arsenic in Groundwater: Part 2. Geochemical Modeling and Solid Phase Studies

    Science.gov (United States)

    Arsenic uptake processes were evaluated in a zerovalent iron reactive barrier installed at a lead smelting facility using geochemical modeling, solid-phase analysis, and X-ray absorption spectroscopy techniques. Aqueous speciation of arsenic plays a key role in directing arsenic...

  5. Sampling, Probability Models and Statistical Reasoning Statistical

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 1; Issue 5. Sampling, Probability Models and Statistical Reasoning Statistical Inference. Mohan Delampady V R Padmawar. General Article Volume 1 Issue 5 May 1996 pp 49-58 ...

  6. 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.

  7. Uncertainty in geochemical modelling of CO2 and calcite dissolution in NaCl solutions due to different modelling codes and thermodynamic databases

    International Nuclear Information System (INIS)

    Haase, Christoph; Dethlefsen, Frank; Ebert, Markus; Dahmke, Andreas

    2013-01-01

    Highlights: • CO 2 and calcite dissolution is calculated. • The codes PHREEQC, Geochemist’s Workbench, EQ3/6, and FactSage are used. • Comparison with Duan and Li (2008) shows lowest deviation using phreeqc.dat and wateq4f.dat. • Using Pitzer databases does not improve accurate calculations. • Uncertainty in dissolved CO 2 is largest using the geochemical models. - Abstract: A prognosis of the geochemical effects of CO 2 storage induced by the injection of CO 2 into geologic reservoirs or by CO 2 leakage into the overlaying formations can be performed by numerical modelling (non-invasive) and field experiments. Until now the research has been focused on the geochemical processes of the CO 2 reacting with the minerals of the storage formation, which mostly consists of quartzitic sandstones. Regarding the safety assessment the reactions between the CO 2 and the overlaying formations in the case of a CO 2 leakage are of equal importance as the reactions in the storage formation. In particular, limestone formations can react very sensitively to CO 2 intrusion. The thermodynamic parameters necessary to model these reactions are not determined explicitly through experiments at the total range of temperature and pressure conditions and are thus extrapolated by the simulation code. The differences in the calculated results lead to different calcite and CO 2 solubilities and can influence the safety issues. This uncertainty study is performed by comparing the computed results, applying the geochemical modelling software codes The Geochemist’s Workbench, EQ3/6, PHREEQC and FactSage/ChemApp and their thermodynamic databases. The input parameters (1) total concentration of the solution, (2) temperature and (3) fugacity are varied within typical values for CO 2 reservoirs, overlaying formations and close-to-surface aquifers. The most sensitive input parameter in the system H 2 O–CO 2 –NaCl–CaCO 3 for the calculated range of dissolved calcite and CO 2 is the

  8. Simulation of the effects of phosphate on adsorption of arsenite and arsenate on ferrihydrite matrix using a geochemical equilibrium model

    International Nuclear Information System (INIS)

    Kassenga, G.R.

    2005-01-01

    Arsenic is of environmental concern because of its toxicity to plants, animals, and human beings. Iron oxides, including the poorly crystalline (amorphous) iron oxides, e.g., ferrihydrite, have a strong affinity for both arsenite and arsenate (the most toxic species of arsenic). In view of this, adsorption on ferrihydrite matrix is the main process of immobilization of arsenic in groundwater. The presence of phosphate in groundwater may however limit adsorption of arsenic on iron oxides due to competition for adsorption sites, resulting in higher aqueous concentrations in some environments. This paper analyses the effects of phosphate on aqueous concentration of arsenic at different pH using a geochemical equilibrium simulation model. It specifically focuses on arsenite and arsenate, the most toxic forms of arsenic. A general description of the occurrence of arsenic in the environment, its toxicity, and health hazards is first given. The paper discusses sources and geochemical processes that control arsenic mobility in aquifers. Adsorption and desorption reactions of arsenic on ferrihydrite and the factors that affect them are described. Modeling of adsorption/desorption processes is then discussed. Finally, the effects of phosphate on adsorption and desorption processes of arsenic on ferrihydrite as a function of pH are analyzed using PHREEQC Version 2, a computer program for simulating chemical reactions and transport processes in natural and polluted water. The model is applied in a case study formulated on the basis of a realistic hydrogeochemical setting to demonstrate how the use of arsenical pesticides and phosphate fertilizers may pose potential public health problems in areas where groundwater is used for domestic purposes. The modeling results have shown that aqueous concentration of arsenic increases with increasing phosphate-phosphorus concentration for pH values less than 10 assuming that ferrihydrite concentration and other hydrogeochemical conditions

  9. Development of a Model of Geophysical and Geochemical Controls on Abiotic Carbon Cycling on Earth-Like Planets

    Science.gov (United States)

    Neveu, M.; Felton, R.; Domagal-Goldman, S. D.; Desch, S. J.; Arney, G. N.

    2017-12-01

    About 20 Earth-sized planets (0.6-1.6 Earth masses and radii) have now been discovered beyond our solar system [1]. Although such planets are prime targets in the upcoming search for atmospheric biosignatures, their composition, geology, and climate are essentially unconstrained. Yet, developing an understanding of how these factors influence planetary evolution through time and space is essential to establishing abiotic backgrounds against which any deviations can provide evidence for biological activity. To this end, we are building coupled geophysical-geochemical models of abiotic carbon cycling on such planets. Our models are controlled by atmospheric factors such as temperature and composition, and compute interior inputs to atmospheric species. They account for crustal weathering, ocean-atmosphere equilibria, and exchange with the deep interior as a function of planet composition and size (and, eventually, age).Planets in other solar systems differ from the Earth not only in their bulk physical properties, but also likely in their bulk chemical composition [2], which influences key parameters such as the vigor of mantle convection and the near-surface redox state. Therefore, simulating how variations in such parameters affect carbon cycling requires us to simulate the above processes from first principles, rather than by using arbitrary parameterizations derived from observations as is often done with models of carbon cycling on Earth [3] or extrapolations thereof [4]. As a first step, we have developed a kinetic model of crustal weathering using the PHREEQC code [5] and kinetic data from [6]. We will present the ability of such a model to replicate Earth's carbon cycle using, for the time being, parameterizations for surface-interior-atmosphere exchange processes such as volcanism (e.g., [7]).[1] exoplanet.eu, 7/28/2017.[2] Young et al. (2014) Astrobiology 14, 603-626.[3] Lerman & Wu (2008) Kinetics of Global Geochemical Cycles. In Kinetics of Water

  10. Hydrogeological modeling constraints provided by geophysical and geochemical mapping of a chlorinated ethenes plume in northern France

    Science.gov (United States)

    Razafindratsima, Stephen; Guérin, Roger; Bendjoudi, Hocine; de Marsily, Ghislain

    2014-09-01

    A methodological approach is described which combines geophysical and geochemical data to delineate the extent of a chlorinated ethenes plume in northern France; the methodology was used to calibrate a hydrogeological model of the contaminants' migration and degradation. The existence of strong reducing conditions in some parts of the aquifer is first determined by measuring in situ the redox potential and dissolved oxygen, dissolved ferrous iron and chloride concentrations. Electrical resistivity imaging and electromagnetic mapping, using the Slingram method, are then used to determine the shape of the pollutant plume. A decreasing empirical exponential relation between measured chloride concentrations in the water and aquifer electrical resistivity is observed; the resistivity formation factor calculated at a few points also shows a major contribution of chloride concentration in the resistivity of the saturated porous medium. MODFLOW software and MT3D99 first-order parent-daughter chain reaction and the RT3D aerobic-anaerobic model for tetrachloroethene (PCE)/trichloroethene (TCE) dechlorination are finally used for a first attempt at modeling the degradation of the chlorinated ethenes. After calibration, the distribution of the chlorinated ethenes and their degradation products simulated with the model approximately reflects the mean measured values in the observation wells, confirming the data-derived image of the plume.

  11. Tissue Sampling Guides for Porcine Biomedical Models.

    Science.gov (United States)

    Albl, Barbara; Haesner, Serena; Braun-Reichhart, Christina; Streckel, Elisabeth; Renner, Simone; Seeliger, Frank; Wolf, Eckhard; Wanke, Rüdiger; Blutke, Andreas

    2016-04-01

    This article provides guidelines for organ and tissue sampling adapted to porcine animal models in translational medical research. Detailed protocols for the determination of sampling locations and numbers as well as recommendations on the orientation, size, and trimming direction of samples from ∼50 different porcine organs and tissues are provided in the Supplementary Material. The proposed sampling protocols include the generation of samples suitable for subsequent qualitative and quantitative analyses, including cryohistology, paraffin, and plastic histology; immunohistochemistry;in situhybridization; electron microscopy; and quantitative stereology as well as molecular analyses of DNA, RNA, proteins, metabolites, and electrolytes. With regard to the planned extent of sampling efforts, time, and personnel expenses, and dependent upon the scheduled analyses, different protocols are provided. These protocols are adjusted for (I) routine screenings, as used in general toxicity studies or in analyses of gene expression patterns or histopathological organ alterations, (II) advanced analyses of single organs/tissues, and (III) large-scale sampling procedures to be applied in biobank projects. Providing a robust reference for studies of porcine models, the described protocols will ensure the efficiency of sampling, the systematic recovery of high-quality samples representing the entire organ or tissue as well as the intra-/interstudy comparability and reproducibility of results. © The Author(s) 2016.

  12. Investigating the Geochemical Model for Molybdenum Mineralization in the JEB Tailings Management Facility at McClean Lake, Saskatchewan: An X-ray Absorption Spectroscopy Study.

    Science.gov (United States)

    Blanchard, Peter E R; Hayes, John R; Grosvenor, Andrew P; Rowson, John; Hughes, Kebbi; Brown, Caitlin

    2015-06-02

    The geochemical model for Mo mineralization in the JEB Tailings Management Facility (JEB TMF), operated by AREVA Resources Canada at McClean Lake, Saskatchewan, was investigated using X-ray Absorption Near-Edge Spectroscopy (XANES), an elemental-specific technique that is sensitive to low elemental concentrations. Twenty five samples collected during the 2013 sampling campaign from various locations and depths in the TMF were analyzed by XANES. Mo K-edge XANES analysis indicated that the tailings consisted primarily of Mo(6+) species: powellite (CaMoO4), ferrimolybdite (Fe2(MoO4)3·8H2O), and molybdate adsorbed on ferrihydrite (Fe(OH)3 - MoO4). A minor concentration of a Mo(4+) species in the form of molybdenite (MoS2) was also present. Changes in the Mo mineralization over time were inferred by comparing the relative amounts of the Mo species in the tailings to the independently measured aqueous Mo pore water concentration. It was found that ferrimolybdite and molybdate adsorbed on ferrihydrite initially dissolves in the TMF and precipitates as powellite.

  13. Geochemical and Pb isotopic characterization of soil, groundwater, human hair, and corn samples from the Domizio Flegreo and Agro Aversano area (Campania region, Italy)

    Science.gov (United States)

    Rezza, Carmela; Albanese, Stefano; Ayuso, Robert A.; Lima, Annamaria; Sorvari, Jaana; De Vivo, Benedetto

    2018-01-01

    A geochemical survey was carried out to investigate metal contamination in the Domizio Littoral and Agro Aversano area (Southern Italy) by means of soil, groundwater, human hair and corn samples. Pb isotope ratios were also determined to identify the sources of metals. Specifically, the investigation focused on topsoils (n = 1064), groundwater (n = 26), 25 human hair (n = 24) and corn samples (n = 13). Topsoils have been sampled and analysed in a previous study for 53 elements (including potentially harmful ones), and determined by ICP-MS after dissolving with aqua regia. Groundwater was analysed for 72 elements by ICP-MS and by ICP-ES. Samples of human hair were prepared and analysed for 16 elements by ICP-MS. Dried corn collected at several farms were also analysed for 53 elements by ICP-MS. The isotopic ratios of 206Pb/207Pb and 208Pb/207Pb in selected topsoil (n = 24), groundwater (n = 9), human hair (n = 9) and corn (n = 4) samples were analysed from both eluates and residues to investigate possible anthropogenic contamination and geogenic contributions. All data were processed and mapped by ArcGis software to produce interpolated maps and contamination factor maps of potentially harmful elements, in accordance with Italian Environmental Law (Legislative Decree 152/06). Results show that soil sampling sites are characterized by As, Cd, Co, Cr, Cu, Hg, Pb, Se, and Zn contents exceeding the action limits established for residential land use (RAL) and, in some cases, also the action limits for industrial land use (IAL) as established by Legislative Decree 152/06. A map of contamination factors and a map showing the degrees of contamination indicate that the areas in the municipalities of Acerra, Casoria and Giugliano have been affected by considerable anthropogenic-related pollution. To interpret the isotopic data and roughly estimate proportion of Pb from an anthropogenic source we broadly defined possible natural and anthropogenic Pb end

  14. 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.

  15. Modelling of long term geochemical evolution and study of mechanical perturbation of bentonite buffer of a KBS-3 repository

    Energy Technology Data Exchange (ETDEWEB)

    Marsal, Francois; Pellegrini, Delphine; Deleruyelle, Frederic; Serres, Christophe (French Institute for Radiological Protection and Nuclear Safety (IRSN) (FR)); Windt, Laurent de (Paris School of Mines (ENSMP) (FR))

    2008-03-15

    The Swedish Nuclear Fuel and Waste Management Co. (SKB) has recently completed a safety assessment project named SR-Can, related to the KBS-3 disposal concept. In this concept, the waste packages are surrounded by a buffer made of either MX-80 or Deponit CA-N bentonite. Interactions between the buffer and groundwater may modify the buffer composition and thus its containment properties. The Swedish Radiation Protection Authorities (SSI) requested the French Institute for Radiological Protection and Nuclear Safety (IRSN) to perform the present study in support of SSI review of the SR-Can report. The purpose is to assess the geochemical evolution of both potential buffer materials due to the intrusion of different types of groundwater, with a similar modelling layout to that reported in SR-Can. Three main categories of water inflows via a fracture intersecting a deposition hole are considered: the Forsmark reference groundwater, a high-salinity groundwater to account for up-rise of deep-seated brines and a diluted water representing ice-melting derived groundwater. In addition to this, the redox buffering capacity of Deponit CA-N bentonite and the thermal effect on MX-80 bentonite geochemistry have been assessed. This modelling work has been performed using the reactive transport modelling code HYTEC. The main outcome of the present study is that the intrusion of the considered groundwaters should not affect drastically the geochemistry of neither the Deponit CA-N nor the MX-80 bentonite on the long-term (100,000 y). Bentonite pH may reach high values (up to 10.5) in some cases but does not reach SKB criterion value related to bentonite chemical stability. Dissolution-precipitation of accessory minerals is not significant enough to induce important porosity changes (rise by maximum 2 %). Globally, the montmorillonite exchanger undergoes Na by Ca partial replacement, which may decrease the swelling pressure of the bentonite. The simulated intrusion of oxidizing waters

  16. Modelling of long term geochemical evolution and study of mechanical perturbation of bentonite buffer of a KBS-3 repository

    International Nuclear Information System (INIS)

    Marsal, Francois; Pellegrini, Delphine; Deleruyelle, Frederic; Serres, Chris tophe; Windt, Laurent de

    2008-03-01

    The Swedish Nuclear Fuel and Waste Management Co. (SKB) has recently completed a safety assessment project named SR-Can, related to the KBS-3 disposal concept. In this concept, the waste packages are surrounded by a buffer made of either MX-80 or Deponit CA-N bentonite. Interactions between the buffer and groundwater may modify the buffer composition and thus its containment properties. The Swedish Radiation Protection Authorities (SSI) requested the French Institute for Radiological Protection and Nuclear Safety (IRSN) to perform the present study in support of SSI review of the SR-Can report. The purpose is to assess the geochemical evolution of both potential buffer materials due to the intrusion of different types of groundwater, with a similar modelling layout to that reported in SR-Can. Three main categories of water inflows via a fracture intersecting a deposition hole are considered: the Forsmark reference groundwater, a high-salinity groundwater to account for up-rise of deep-seated brines and a diluted water representing ice-melting derived groundwater. In addition to this, the redox buffering capacity of Deponit CA-N bentonite and the thermal effect on MX-80 bentonite geochemistry have been assessed. This modelling work has been performed using the reactive transport modelling code HYTEC. The main outcome of the present study is that the intrusion of the considered groundwaters should not affect drastically the geochemistry of neither the Deponit CA-N nor the MX-80 bentonite on the long-term (100,000 y). Bentonite pH may reach high values (up to 10.5) in some cases but does not reach SKB criterion value related to bentonite chemical stability. Dissolution-precipitation of accessory minerals is not significant enough to induce important porosity changes (rise by maximum 2 %). Globally, the montmorillonite exchanger undergoes Na by Ca partial replacement, which may decrease the swelling pressure of the bentonite. The simulated intrusion of oxidizing waters

  17. Solid phase evolution in the Biosphere 2 hillslope experiment as predicted by modeling of hydrologic and geochemical fluxes

    Directory of Open Access Journals (Sweden)

    K. Dontsova

    2009-12-01

    Full Text Available A reactive transport geochemical modeling study was conducted to help predict the mineral transformations occurring over a ten year time-scale that are expected to impact soil hydraulic properties in the Biosphere 2 (B2 synthetic hillslope experiment. The modeling sought to predict the rate and extent of weathering of a granular basalt (selected for hillslope construction as a function of climatic drivers, and to assess the feedback effects of such weathering processes on the hydraulic properties of the hillslope. Flow vectors were imported from HYDRUS into a reactive transport code, CrunchFlow2007, which was then used to model mineral weathering coupled to reactive solute transport. Associated particle size evolution was translated into changes in saturated hydraulic conductivity using Rosetta software. We found that flow characteristics, including velocity and saturation, strongly influenced the predicted extent of incongruent mineral weathering and neo-phase precipitation on the hillslope. Results were also highly sensitive to specific surface areas of the soil media, consistent with surface reaction controls on dissolution. Effects of fluid flow on weathering resulted in significant differences in the prediction of soil particle size distributions, which should feedback to alter hillslope hydraulic conductivities.

  18. The relationship of the Yucca Mountain repository block to the regional ground-water system: A geochemical model

    International Nuclear Information System (INIS)

    Matuska, N.A.; Hess, J.W.

    1989-08-01

    Yucca Mountain, in southern Nevada, is being studied by the Department of Energy and the State of Nevada as the site of a high-level nuclear waste repository. Geochemical and isotopic modeling were used in this study to define the relationship of the volcanic tuff aquifers and aquitards to the underlying regional carbonate ground-water system. The chemical evolution of a ground water as it passes through a hypothetical tuffaceous aquifer was developed using computer models PHREEQE, WATEQDR and BALANCE. The tuffaceous system was divided into five parts, with specific mineralogies, reaction steps and temperatures. The initial solution was an analysis of a soil water from Rainier Mesa. The ending solution in each part became the initial solution in the next part. Minerals consisted of zeolites, smectites, authigenic feldspars and quartz polymorphs from described diagentic mineral zones. Reaction steps were ion exchange with zeolites. The solution from the final zone, Part V, was chosen as most representative, in terms of pH, element molalities and mineral solubilities, of tuffaceous water. This hypothetical volcanic water from Part V was mixed with water from the regional carbonate aquifer, and the results compared to analyses of Yucca Mountain wells. Mixing and modeling attempts were conducted on wells in which studies indicated upward flow

  19. Use of multiple attributes decision-making Technique for Order Preference by Similarity to Ideal Solution (TOPSIS for Ghare-Gheshlagh calcite in determination of optimum geochemical sampling sites

    Directory of Open Access Journals (Sweden)

    Mansour Rezaei Azizi

    2015-04-01

    Full Text Available Introduction Several valuable calcite deposits are located in Ghare-Gheshlagh, south basin of Urmia Lake, NW Iran. Ghare-Gheshlagh area is situated in the northern part of tectono-sedimentary unit, forming NW part of Tertiary Sanandaj-Sirjan geological belt (Stocklin and Nabavi, 1972. The predominant rock types of the area include light color limestones (Qom Formation and Quaternary alluviums and underlined dolomite in depth (Eftekharnejhad, 1973. The thickness of these units varies between 10 cm and 6 meters and up to some hundred meters in length. In the present study, the effect of geochemical parameters responsible for precipitating calcite from the carbonate aqueous fluids is interpreted by the TOPSIS method to find the most preferable sampling sites and geochemical data. Materials and Methods A total of 20 samples were taken from a NE-SW trending profile including 15 calcites of fresh surface outcrops (5 samples per each colored calcite units in order to determine the nature of the rocks. The mineral assemblages were analyzed by optical methods in combination with XRD powder diffraction analysis. Major elements were determined by X-Ray Fluorescence Spectrometry (XRF, trace and rare earth elements were determined by Inductively Coupled Plasma Mass Spectrometry (ICP-MS in Geological Survey of Iran. Results The abundances of trace elements were normalized to the continental crust values (Taylor and McLennan, 1981. The green calcite revealed enrichment in Rb and Sr, while green and white calcite were enriched in U. The U enrichment in the green calcite indicates the reduction condition of deposition. Incompatible elements such as Ba, Th, Nb and P depleted in all calcites. Varying the Sr/Ba value between 3.18 and 5.21% indicates the continental deposition environment and non-magmatic waters as well (Cheng et al., 2013. The Sr2+ content of calcites varies from 123 to 427 ppm, indicates suitable condition for calcite precipitation. Eu anomalies

  20. A review of single-sample-based models and other approaches for radiocarbon dating of dissolved inorganic carbon in groundwater

    Science.gov (United States)

    Han, L. F; Plummer, Niel

    2016-01-01

    Numerous methods have been proposed to estimate the pre-nuclear-detonation 14C content of dissolved inorganic carbon (DIC) recharged to groundwater that has been corrected/adjusted for geochemical processes in the absence of radioactive decay (14C0) - a quantity that is essential for estimation of radiocarbon age of DIC in groundwater. The models/approaches most commonly used are grouped as follows: (1) single-sample-based models, (2) a statistical approach based on the observed (curved) relationship between 14C and δ13C data for the aquifer, and (3) the geochemical mass-balance approach that constructs adjustment models accounting for all the geochemical reactions known to occur along a groundwater flow path. This review discusses first the geochemical processes behind each of the single-sample-based models, followed by discussions of the statistical approach and the geochemical mass-balance approach. Finally, the applications, advantages and limitations of the three groups of models/approaches are discussed.The single-sample-based models constitute the prevailing use of 14C data in hydrogeology and hydrological studies. This is in part because the models are applied to an individual water sample to estimate the 14C age, therefore the measurement data are easily available. These models have been shown to provide realistic radiocarbon ages in many studies. However, they usually are limited to simple carbonate aquifers and selection of model may have significant effects on 14C0 often resulting in a wide range of estimates of 14C ages.Of the single-sample-based models, four are recommended for the estimation of 14C0 of DIC in groundwater: Pearson's model, (Ingerson and Pearson, 1964; Pearson and White, 1967), Han & Plummer's model (Han and Plummer, 2013), the IAEA model (Gonfiantini, 1972; Salem et al., 1980), and Oeschger's model (Geyh, 2000). These four models include all processes considered in single-sample-based models, and can be used in different ranges of

  1. Enzyme leaching of surficial geochemical samples for detecting hydromorphic trace-element anomalies associated with precious-metal mineralized bedrock buried beneath glacial overburden in northern Minnesota

    Science.gov (United States)

    Clark, Robert J.; Meier, A.L.; Riddle, G.; ,

    1990-01-01

    One objective of the International Falls and Roseau, Minnesota, CUSMAP projects was to develop a means of conducting regional-scale geochemical surveys in areas where bedrock is buried beneath complex glacially derived overburden. Partial analysis of B-horizon soils offered hope for detecting subtle hydromorphic trace-element dispersion patterns. An enzyme-based partial leach selectively removes metals from oxide coatings on the surfaces of soil materials without attacking their matrix. Most trace-element concentrations in the resulting solutions are in the part-per-trillion to low part-per-billion range, necessitating determinations by inductively coupled plasma/mass spectrometry. The resulting data show greater contrasts for many trace elements than with other techniques tested. Spatially, many trace metal anomalies are locally discontinuous, but anomalous trends within larger areas are apparent. In many instances, the source for an anomaly seems to be either basal till or bedrock. Ground water flow is probably the most important mechanism for transporting metals toward the surface, although ionic diffusion, electrochemical gradients, and capillary action may play a role in anomaly dispersal. Sample sites near the Rainy Lake-Seine River fault zone, a regional shear zone, often have anomalous concentrations of a variety of metals, commonly including Zn and/or one or more metals which substitute for Zn in sphalerite (Cd, Ge, Ga, and Sn). Shifts in background concentrations of Bi, Sb, and As show a trend across the area indicating a possible regional zoning of lode-Au mineralization. Soil anomalies of Ag, Co, and Tl parallel basement structures, suggesting areas that may have potential for Cobalt/Thunder Baytype silver viens. An area around Baudette, Minnesota, which is underlain by quartz-chlorite-carbonate-altered shear zones, is anomalous in Ag, As, Bi, Co, Mo, Te, Tl, and W. Anomalies of Ag, As, Bi, Te, and W tend to follow the fault zones, suggesting potential

  2. Geochemical characterization of fluoride in water, table salt, active sediment, rock and soil samples, and its possible relationship with the prevalence of enamel fluorosis in children in four municipalities of the department of Huila (Colombia).

    Science.gov (United States)

    Martignon, Stefania; Opazo-Gutiérrez, Mario Omar; Velásquez-Riaño, Möritz; Orjuela-Osorio, Iván Rodrigo; Avila, Viviana; Martinez-Mier, Esperanza Angeles; González-Carrera, María Clara; Ruiz-Carrizosa, Jaime Alberto; Silva-Hermida, Blanca Cecilia

    2017-06-01

    Fluoride is an element that affects teeth and bone formation in animals and humans. Though the use of systemic fluoride is an evidence-based caries preventive measure, excessive ingestion can impair tooth development, mainly the mineralization of tooth enamel, leading to a condition known as enamel fluorosis. In this study, we investigated the geochemical characterization of fluoride in water, table salt, active sediment, rock and soil samples in four endemic enamel fluorosis sentinel municipalities of the department of Huila, Colombia (Pitalito, Altamira, El Agrado and Rivera), and its possible relationship with the prevalence of enamel fluorosis in children. The concentration of fluoride in drinking water, table salt, active sediment, rock, and soil was evaluated by means of an ion selective electrode and the geochemical analyses were performed using X-ray fluorescence. Geochemical analysis revealed fluoride concentrations under 15 mg/kg in active sediment, rock and soil samples, not indicative of a significant delivery to the watersheds studied. The concentration of fluoride in table salt was found to be under the inferior limit (less than 180 μg/g) established by the Colombian regulations. Likewise, exposure doses for fluoride water intake did not exceed the recommended total dose for all ages from 6 months. Although the evidence does not point out at rocks, soils, fluoride-bearing minerals, fluoridated salt and water, the hypothesis of these elements as responsible of the current prevalence of enamel fluorosis cannot be discarded since, aqueducts might have undergone significant changes overtime.

  3. Geochemical modelling study on the age and evolution of the groundwater at the Romuvaara site

    Energy Technology Data Exchange (ETDEWEB)

    Pitkaenen, P; Vuorinen, U; Leino-Forsman, H [Technical Research Centre of Finland, Espoo (Finland); Snellman, M [Imatran Voima Oy, Helsinki (Finland)

    1996-09-01

    The objective of the study was to interpret the processes and factors which control the hydrogeochemistry (e.g. pH and redox conditions) in the radioactive waste disposal environment. A model of the hydrogeochemical evolution and the chemical flowpaths in different parts of the bedrock at the Romuvaara (in Finland) site has been created. The significance of chemical reactions along different flowpaths is calculated. Furthermore, the consistency of the hydrogeochemical model and the hydrogeological model is examined. (107 refs.).

  4. Geochemical modelling study on the age and evolution of the groundwater at the Romuvaara site

    International Nuclear Information System (INIS)

    Pitkaenen, P.; Vuorinen, U.; Leino-Forsman, H.; Snellman, M.

    1996-09-01

    The objective of the study was to interpret the processes and factors which control the hydrogeochemistry (e.g. pH and redox conditions) in the radioactive waste disposal environment. A model of the hydrogeochemical evolution and the chemical flowpaths in different parts of the bedrock at the Romuvaara (in Finland) site has been created. The significance of chemical reactions along different flowpaths is calculated. Furthermore, the consistency of the hydrogeochemical model and the hydrogeological model is examined. (107 refs.)

  5. Geologic Mapping and Paired Geochemical-Paleomagnetic Sampling of Reference Sections in the Grande Ronde Basalt: An Example from the Bingen Section, Columbia River Gorge, Washington

    Science.gov (United States)

    Sawlan, M.; Hagstrum, J. T.; Wells, R. E.

    2011-12-01

    We have completed comprehensive geochemical (GC) and paleomagnetic (PM) sampling of individual lava flows from eight reference stratigraphic sections in the Grande Ronde Basalt (GRB), Columbia River Basalt Group [Hagstrum et al., 2009, GSA Ann. Mtg, Portland (abst); Hagstrum et al., 2010, AGU Fall Mtg, San Francisco (abst)]. These sections, distributed across the Columbia Plateau and eastern Columbia River Gorge, contain as many as 30 flows, are up to 670 m thick, span upper magneto-stratigraphic zones R2 and N2, and, in some locations, also contain one or more N1 flows. In concert with GC and PM sampling, we have carried out detailed geologic mapping of these sections, typically at a scale of 1:3,000 to 1:5,000, using GPS, digital imagery from the National Aerial Imagery Program (NAIP), and compilation in GIS. GRB member and informal unit names of Reidel et al. [1989, GSA Sp. Paper 239] generally have been adopted, although two new units are identified and named within the N2 zone. Notably, a distinctive PM direction for intercalated lavas of several lower N2 units indicates coeval eruption of compositionally distinct units; this result contrasts with the scenario of serial stratigraphic succession of GRB units proposed by Reidel et al. [1989]. Our objectives in the mapping include: Confirming the integrity of the stratigraphic sequences by documenting flow contacts and intraflow horizons (changes in joint patterns or vesicularity); assessing fault displacements; and, establishing precisely located samples in geologic context such that selected sites can be unambiguously reoccupied. A geologic map and GC-PM data for the Bingen section, along the north side of the Columbia River, are presented as an example of our GRB reference section mapping and sampling. One of our thicker sections (670 m) along which 30 flows are mapped, the Bingen section spans 7 km along WA State Hwy 14, from near the Hood River Bridge ESE to Locke Lake. This section cuts obliquely through a

  6. Sampling, Probability Models and Statistical Reasoning -RE ...

    Indian Academy of Sciences (India)

    random sampling allows data to be modelled with the help of probability ... g based on different trials to get an estimate of the experimental error. ... research interests lie in the .... if e is indeed the true value of the proportion of defectives in the.

  7. Addendum to: Derivation of in situ opalinus clay porewater compositions from experimental and geochemical modelling studies

    International Nuclear Information System (INIS)

    Bradbury, M.H.; Baeyens; Pearson, F.J.; Berner, U.

    1998-01-01

    As part of the synthesis of water chemistry studies within the hydrochemical program at Mont Terri (Switzerland), a reexamination of the modelling method showed that it should lead to a range of water compositions rather than to a single composition. The single composition resulted from two compensating oversights, a theoretical one and a modelling one. These are discussed in this Addendum. (author)

  8. Lattice Boltzmann based multicomponent reactive transport model coupled with geochemical solver for scale simulations

    NARCIS (Netherlands)

    Patel, R.A.; Perko, J.; Jaques, D.; De Schutter, G.; Ye, G.; Van Breugel, K.

    2013-01-01

    A Lattice Boltzmann (LB) based reactive transport model intended to capture reactions and solid phase changes occurring at the pore scale is presented. The proposed approach uses LB method to compute multi component mass transport. The LB multi-component transport model is then coupled with the

  9. Exact sampling hardness of Ising spin models

    Science.gov (United States)

    Fefferman, B.; Foss-Feig, M.; Gorshkov, A. V.

    2017-09-01

    We study the complexity of classically sampling from the output distribution of an Ising spin model, which can be implemented naturally in a variety of atomic, molecular, and optical systems. In particular, we construct a specific example of an Ising Hamiltonian that, after time evolution starting from a trivial initial state, produces a particular output configuration with probability very nearly proportional to the square of the permanent of a matrix with arbitrary integer entries. In a similar spirit to boson sampling, the ability to sample classically from the probability distribution induced by time evolution under this Hamiltonian would imply unlikely complexity theoretic consequences, suggesting that the dynamics of such a spin model cannot be efficiently simulated with a classical computer. Physical Ising spin systems capable of achieving problem-size instances (i.e., qubit numbers) large enough so that classical sampling of the output distribution is classically difficult in practice may be achievable in the near future. Unlike boson sampling, our current results only imply hardness of exact classical sampling, leaving open the important question of whether a much stronger approximate-sampling hardness result holds in this context. The latter is most likely necessary to enable a convincing experimental demonstration of quantum supremacy. As referenced in a recent paper [A. Bouland, L. Mancinska, and X. Zhang, in Proceedings of the 31st Conference on Computational Complexity (CCC 2016), Leibniz International Proceedings in Informatics (Schloss Dagstuhl-Leibniz-Zentrum für Informatik, Dagstuhl, 2016)], our result completes the sampling hardness classification of two-qubit commuting Hamiltonians.

  10. Modelling uranium solubilities in aqueous solutions: Validation of a thermodynamic data base for the EQ3/6 geochemical codes

    International Nuclear Information System (INIS)

    Puigdomenech, I.; Bruno, J.

    1988-01-01

    Experimental solubilities of U 4+ and UO 2 2+ that are reported in the literature have been collected. Data on oxides, hydroxides and carbonates have been selected for this work. They include results both at 25 degrees C and at higher temperatures. The literature data have been compared with calculated uranium solubilities obtained with the EQ3/6 geochemical modelling programs and an uranium thermodynamic data base selected for the Swedish nuclear waste management program. This verification/validiation exercise has shown that more experimental data is needed to determine the chemical composition of anionic uranyl hydroxo complexes as well as their equilibrium constants of formation. There is also a need for more solubility data on well characterised alkaline or alkaline-earth uranates. For the uranyl carbonate system, the calculated results agree reasonably well with the experimental literature values, which span over a wide range of pH, (CO 3 2- ) T , CO 2 (g)-pressure, and T. The experimental solubility of UO 2 (s) agrees also well with the EQ3/6 calculations for pH greater than 6. However, in more acidic solutions the experimental solubilities are higher than the calculated values. This is due to the formation of polynuclear hydroxo complexes of uranium, which are not well characterised, and are not included in the thermodynamic data base used in this study. (authors)

  11. Structural and geochemical techniques for the hydrogeological characterisation and stochastic modelling of fractured media

    International Nuclear Information System (INIS)

    Vela, A.; Elorza, F.J.; Florez, F.; Paredes, C.; Mazadiego, L.; Llamas, J.F.; Perez, E.; Vives, L.; Carrera, J.; Munoz, A.; De Vicente, G.; Casquet, C.

    1999-01-01

    Safety analysis of radioactive waste storage systems require fractured rock studies. The performance assessment studies of this type of problems include the development of radionuclide flow and transport models to predict the evolution of possible contaminants released from the repository to the biosphere. The methodology developed in the HIDROBAP project and some results obtained with its application in El Berrocal granite batholith are presented. It integrates modern tools belonging to different disciplines. A Discrete Fracture Network model (DFT) was selected to simulate the fractured medium and a 3D finite element flow and transport model that includes the inverse problem techniques has been coupled to the DFT model to simulate the water movement trough the fracture network system. Preliminary results show that this integrated methodology can be very useful for the hydrogeological characterisation of rock fractured media. (author)

  12. 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)

  13. Geochemical thermodynamic and kinetic modeling that take into account the mass transfer phenomena in saturated porous medium

    International Nuclear Information System (INIS)

    Gerard, Frederic

    1996-01-01

    The mass transport mechanisms (advection. mechanical dispersion and molecular diffusion) have been introduced into the thermodynamic and kinetic geochemical code KINDIS. This innovative approach to couple chemical and transport mass transfers has allowed us to develop a reactive transport or hydrochemical code named KIRMAT, which naturally preserve the comprehensive geochemical functions of KINDIS. Mass transport phenomena through the total connected porosity of a water-saturated porous medium are solved over one spatial dimension (ID). The finite difference method is used. An explicit or forward time scheme is computed. The advective finite difference expression may be either centered or upstream weighted. Thus, ail of the hydrodynamic conditions may be modeled (from the pure advection to pure diffusion). The mass transport and geochemical flux are solved simultaneously (one-step algorithm). Moreover. the code KIRMAT is designed to quantify reactive mass transport through a double or dual porosity medium, in which the flow porosity (filled by free water) and the diffusion porosity (containing stagnant water) are viewed as two distinct sub mediums or Systems. Under some given conditions, the need to solve one or the other mass transport equation is a function of the water-rock System size. The accuracy of the kinetic constraint has been improved in KIRMAT. Two new kinetic rate laws have been introduced for the dissolution of the most abundant silicates (alkali feldspars, silica. etc.). These rate laws integrate the quantitatively important inhibitor and catalytic effects involved with some dissolved chemical elements that are ubiquitous in natural aqueous solutions. The basic step. the numerical verification of the code, has been tackled with two complementary approaches. The numerical results from KIRMAT have been compared to those calculated from an exact solution and a new method has been developed and used. We have compared the numerical results of KIRMAT in

  14. Geochemical models of the precipitation of halite (NaCl) in gas fields

    International Nuclear Information System (INIS)

    Lombana O, Jose L; Jaramillo, Elizabeth A; Alzate E, Guillermo A

    2005-01-01

    The reservoir modeling is a tool that every day takes more importance in the petroleum industry due to multiple problems presented an also that can be afforded by it during the production of reservoir fluids from the porous media in petroleum reservoir. One of these is the formation damage which is reflected as a petrophysic properties change, caused among other factors by the scale precipitation of halite (NaCl) as a consequence of the original state alteration and thermodynamic balance disruption between the porous media and the fluids inside by the gas flow. By the gas flow over the connate water, the porous media reduce its water saturation due to water transferring from liquid to gas state. In this study, a numeric model is developed to model the formation damage for halite precipitation. The model covers one-dimensional monophasic and iso thermic gas flow and evaluates the porosity and permeability changes of porous media due to halite precipitation. The model application for different conditions of temperature, connate water salinity, water saturation,and porosity indicates the following: the biggest damage is caused to the beginning of the porous media,temperature influences considerably the water vaporization rate and therefore the amount of halite precipitation, the lower the porosity of the porous media the bigger the formation damage degree, and finally, higher salinity and water saturation for the connate water in the porous media higher the formation damage degree is reached by the gas flow.

  15. MININR: a geochemical computer program for inclusion in water flow models - an application study

    Energy Technology Data Exchange (ETDEWEB)

    Felmy, A.R.; Reisenauer, A.E.; Zachara, J.M.; Gee, G.W.

    1984-02-01

    MININR is a reduced form of the computer program MINTEQ which calculates equilibrium precipitation/dissolution of solid phases, aqueous speciation, adsorption, and gas phase equilibrium. The user-oriented features in MINTEQ were removed to reduce the size and increase the computational speed. MININR closely resembles the MINEQL computer program developed by Westall (1976). The main differences between MININR and MINEQL involve modifications to accept an initial starting mass of solid and necessary changes for linking with a water flow model. MININR in combination with a simple water flow model which considers only dilution was applied to a laboratory column packed with retorted oil shale and percolated with distilled water. Experimental and preliminary model simulation results are presented for the constituents K/sup +/, Na/sup +/, SO/sub 4//sup 2 -/, Mg/sup 2 +/, Ca/sup 2 +/, CO/sub 3//sup 2 -/ and pH.

  16. Status of geochemical modeling of groundwater evolution at the Tono in-situ tests site, Japan

    International Nuclear Information System (INIS)

    Sasamoto, Hiroshi; Yui, Mikazu; Arthur, R.C.

    1999-12-01

    Hydrochemical investigation of Tertiary sedimentary rocks at JNC's Tono in-situ tests site indicate the groundwaters are: meteoric in origin, chemically reducing at depths greater than a few tens of meters in the sedimentary rock, relatively old [carbon-14 ages of groundwaters collected from the lower part of the sedimentary sequence range from 13,000 to 15,000 years BP (before present)]. Ca-Na-HCO 3 type solutions near the surface, changing to Na-HCO 3 type groundwaters with increasing depth. The chemical evolution of the groundwaters is modeled assuming local equilibrium for selected mineral-fluid reactions, taking into account the rainwater origin of these solutions. Results suggest it is possible to interpret approximately the 'real' groundwater chemistry (i.e., pH, Eh, total dissolved concentrations of Si, Na, Ca, K, Al, carbonate and sulfate) if the following assumptions are adopted: CO 2 concentration in the gas phase contacting pore solutions in the overlying soil zone=10 -1 bar, minerals in the rock zone that control the solubility of respective elements in the groundwater include; chalcedony (Si), albite (Na), kaolinite (Al), calcite (Ca and carbonate), muscovite (K) and pyrite (Eh and sulfate). It is noted, however, that the available field data may not be sufficient to adequately constrain parameters in the groundwater evolution model. In particular, more detailed information characterizing certain site properties (e.g., the actual mineralogy of 'plagioclase', 'clay' and 'zeolite') are needed to improve the model. Alternative conceptual models of key reactions may also be necessary. For this reason, a model that accounts for ion-exchange reactions among clay minerals, and which is based on the results of laboratory experiments, has also been evaluated in the present study. Further improvements of model considering ion-exchange reactions are needed in future, however. (author)

  17. Comparison of U-spatial statistics and C-A fractal models for delineating anomaly patterns of porphyry-type Cu geochemical signatures in the Varzaghan district, NW Iran

    Science.gov (United States)

    Ghezelbash, Reza; Maghsoudi, Abbas

    2018-05-01

    The delineation of populations of stream sediment geochemical data is a crucial task in regional exploration surveys. In this contribution, uni-element stream sediment geochemical data of Cu, Au, Mo, and Bi have been subjected to two reliable anomaly-background separation methods, namely, the concentration-area (C-A) fractal and the U-spatial statistics methods to separate geochemical anomalies related to porphyry-type Cu mineralization in northwest Iran. The quantitative comparison of the delineated geochemical populations using the modified success-rate curves revealed the superiority of the U-spatial statistics method over the fractal model. Moreover, geochemical maps of investigated elements revealed strongly positive correlations between strong anomalies and Oligocene-Miocene intrusions in the study area. Therefore, follow-up exploration programs should focus on these areas.

  18. Estimation of microbial respiration rates in groundwater by geochemical modeling constrained with stable isotopes

    International Nuclear Information System (INIS)

    Murphy, E.M.

    1998-01-01

    Changes in geochemistry and stable isotopes along a well-established groundwater flow path were used to estimate in situ microbial respiration rates in the Middendorf aquifer in the southeastern United States. Respiration rates were determined for individual terminal electron acceptors including O 2 , MnO 2 , Fe 3+ , and SO 4 2- . The extent of biotic reactions were constrained by the fractionation of stable isotopes of carbon and sulfur. Sulfur isotopes and the presence of sulfur-oxidizing microorganisms indicated that sulfate is produced through the oxidation of reduced sulfur species in the aquifer and not by the dissolution of gypsum, as previously reported. The respiration rates varied along the flow path as the groundwater transitioned between primarily oxic to anoxic conditions. Iron-reducing microorganisms were the largest contributors to the oxidation of organic matter along the portion of the groundwater flow path investigated in this study. The transition zone between oxic and anoxic groundwater contained a wide range of terminal electron acceptors and showed the greatest diversity and numbers of culturable microorganisms and the highest respiration rates. A comparison of respiration rates measured from core samples and pumped groundwater suggests that variability in respiration rates may often reflect the measurement scales, both in the sample volume and the time-frame over which the respiration measurement is averaged. Chemical heterogeneity may create a wide range of respiration rates when the scale of the observation is below the scale of the heterogeneity

  19. Modeling geochemical datasets for source apportionment: Comparison of least square regression and inversion approaches.

    Digital Repository Service at National Institute of Oceanography (India)

    Tripathy, G.R.; Das, Anirban.

    used methods, the Least Square Regression (LSR) and Inverse Modeling (IM), to determine the contributions of (i) solutes from different sources to global river water, and (ii) various rocks to a glacial till. The purpose of this exercise is to compare...

  20. Incorporating Geochemical And Microbial Kinetics In Reactive Transport Models For Generation Of Acid Rock Drainage

    Science.gov (United States)

    Andre, B. J.; Rajaram, H.; Silverstein, J.

    2010-12-01

    Acid mine drainage, AMD, results from the oxidation of metal sulfide minerals (e.g. pyrite), producing ferrous iron and sulfuric acid. Acidophilic autotrophic bacteria such as Acidithiobacillus ferrooxidans and Leptospirillum ferrooxidans obtain energy by oxidizing ferrous iron back to ferric iron, using oxygen as the electron acceptor. Most existing models of AMD do not account for microbial kinetics or iron geochemistry rigorously. Instead they assume that oxygen limitation controls pyrite oxidation and thus focus on oxygen transport. These models have been successfully used for simulating conditions where oxygen availability is a limiting factor (e.g. source prevention by capping), but have not been shown to effectively model acid generation and effluent chemistry under a wider range of conditions. The key reactions, oxidation of pyrite and oxidation of ferrous iron, are both slow kinetic processes. Despite being extensively studied for the last thirty years, there is still not a consensus in the literature about the basic mechanisms, limiting factors or rate expressions for microbially enhanced oxidation of metal sulfides. An indirect leaching mechanism (chemical oxidation of pyrite by ferric iron to produce ferrous iron, with regeneration of ferric iron by microbial oxidation of ferrous iron) is used as the foundation of a conceptual model for microbially enhanced oxidation of pyrite. Using literature data, a rate expression for microbial consumption of ferrous iron is developed that accounts for oxygen, ferrous iron and pH limitation. Reaction rate expressions for oxidation of pyrite and chemical oxidation of ferrous iron are selected from the literature. A completely mixed stirred tank reactor (CSTR) model is implemented coupling the kinetic rate expressions, speciation calculations and flow. The model simulates generation of AMD and effluent chemistry that qualitatively agrees with column reactor and single rock experiments. A one dimensional reaction

  1. Modeling reactive geochemical transport of concentrated aqueous solutions in variably saturated media

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Guoxiang; Zheng, Zuoping; Wan, Jiamin

    2004-01-28

    Concentrated aqueous solutions (CAS) have unique thermodynamic and physical properties. Chemical components in CAS are incompletely dissociated, especially those containing divalent or polyvalent ions. The problem is further complicated by the interaction between CAS flow processes and the naturally heterogeneous sediments. As the CAS migrates through the porous media, the composition may be altered subject to fluid-rock interactions. To effectively model reactive transport of CAS, we must take into account ion-interaction. A combination of the Pitzer ion-interaction and the ion-association model would be an appropriate way to deal with multiple-component systems if the Pitzer' parameters and thermodynamic data of dissolved components and the related minerals are available. To quantify the complicated coupling of CAS flow and transport, as well as the involved chemical reactions in natural and engineered systems, we have substantially extended an existing reactive biogeochemical transport code, BIO-CORE{sup 2D}{copyright}, by incorporating a comprehensive Pitzer ion-interaction model. In the present paper, the model, and two test cases against measured data were briefly introduced. Finally we present an application to simulate a laboratory column experiment studying the leakage of the high alkaline waste fluid stored in Hanford (a site of the U.S. Department of Energy, located in Washington State, USA). With the Pitzer ion-interaction ionic activity model, our simulation captures measured pH evolution. The simulation indicates that all the reactions controlling the pH evolution, including cation exchanges, mineral precipitation and dissolution, are coupled.

  2. EARLY GUIDANCE FOR ASSIGNING DISTRIBUTION PARAMETERS TO GEOCHEMICAL INPUT TERMS TO STOCHASTIC TRANSPORT MODELS

    International Nuclear Information System (INIS)

    Kaplan, D; Margaret Millings, M

    2006-01-01

    Stochastic modeling is being used in the Performance Assessment program to provide a probabilistic estimate of the range of risk that buried waste may pose. The objective of this task was to provide early guidance for stochastic modelers for the selection of the range and distribution (e.g., normal, log-normal) of distribution coefficients (K d ) and solubility values (K sp ) to be used in modeling subsurface radionuclide transport in E- and Z-Area on the Savannah River Site (SRS). Due to the project's schedule, some modeling had to be started prior to collecting the necessary field and laboratory data needed to fully populate these models. For the interim, the project will rely on literature values and some statistical analyses of literature data as inputs. Based on statistical analyses of some literature sorption tests, the following early guidance was provided: (1) Set the range to an order of magnitude for radionuclides with K d values >1000 mL/g and to a factor of two for K d values of sp values -6 M and to a factor of two for K d values of >10 -6 M. This decision is based on the literature. (3) The distribution of K d values with a mean >1000 mL/g will be log-normally distributed. Those with a K d value <1000 mL/g will be assigned a normal distribution. This is based on statistical analysis of non-site-specific data. Results from on-going site-specific field/laboratory research involving E-Area sediments will supersede this guidance; these results are expected in 2007

  3. Discussion on geochemical characteristics, mechanism and prospecting model of gluey type sandstone uranium mineralization--taking Redwell uranium deposit as an example

    International Nuclear Information System (INIS)

    Wang Jinping

    1998-01-01

    Redwell uranium deposit hosted in the red clastic rock formation, is a typical example of gluey type uranium mineralization, which has not been reported so far in China. Based on the study of geochemical characteristics of Redwell deposit, the author discusses the genetic mechanism of this type deposits, and proposes the prospecting model of 4 in 1 of red bed-fault-oil gas-uranium source

  4. Adding geochemical and isotope tracers to models of hillslope evolution: valuable constraints or monumental headache?

    Science.gov (United States)

    Mudd, S. M.; Yoo, K.; Hurst, M. D.; Weinman, B. A.; Maher, K.

    2011-12-01

    Landscapes evolve through time, both in terms of their geomorphology and their geochemistry. Past studies have highlighted that topography suffers from the problem of equifinality: the topographic configuration of landscapes can be the result of many different, yet equally plausible, erosion histories. In hillslope soils the properties and chemistry of the soils themselves could provide additional constraints on landscape evolution. Here we present results from a combination of modelling and field studies that seek to quantify the co-evolution of hillslope morphology and the solid state chemistry of hillslope soils. The models follow large numbers of individual particles as they are entrained into a physically mobile soil layer, weathered, and accumulate isotopes such as 10Be and 21Ne. We demonstrate that multiple hillslope properties mitigate (but do not eliminate) the problem of equifinality and demonstrate the importance of accounting for individual particle residence times and ages in interpretation of both isotope and weathering data.

  5. Predictive modeling of CO2 sequestration in deep saline sandstone reservoirs: Impacts of geochemical kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Balashov, Victor N.; Guthrie, George D.; Hakala, J. Alexandra; Lopano, Christina L.; Rimstidt, J. Donald; Brantley, Susan L.

    2013-03-01

    One idea for mitigating the increase in fossil-fuel generated CO{sub 2} in the atmosphere is to inject CO{sub 2} into subsurface saline sandstone reservoirs. To decide whether to try such sequestration at a globally significant scale will require the ability to predict the fate of injected CO{sub 2}. Thus, models are needed to predict the rates and extents of subsurface rock-water-gas interactions. Several reactive transport models for CO{sub 2} sequestration created in the last decade predicted sequestration in sandstone reservoirs of ~17 to ~90 kg CO{sub 2} m{sup -3|. To build confidence in such models, a baseline problem including rock + water chemistry is proposed as the basis for future modeling so that both the models and the parameterizations can be compared systematically. In addition, a reactive diffusion model is used to investigate the fate of injected supercritical CO{sub 2} fluid in the proposed baseline reservoir + brine system. In the baseline problem, injected CO{sub 2} is redistributed from the supercritical (SC) free phase by dissolution into pore brine and by formation of carbonates in the sandstone. The numerical transport model incorporates a full kinetic description of mineral-water reactions under the assumption that transport is by diffusion only. Sensitivity tests were also run to understand which mineral kinetics reactions are important for CO{sub 2} trapping. The diffusion transport model shows that for the first ~20 years after CO{sub 2} diffusion initiates, CO{sub 2} is mostly consumed by dissolution into the brine to form CO{sub 2,aq} (solubility trapping). From 20-200 years, both solubility and mineral trapping are important as calcite precipitation is driven by dissolution of oligoclase. From 200 to 1000 years, mineral trapping is the most important sequestration mechanism, as smectite dissolves and calcite precipitates. Beyond 2000 years, most trapping is due to formation of aqueous HCO{sub 3}{sup -}. Ninety-seven percent of the

  6. Modelling the geochemical fate and transport of wastewater-derived phosphorus in contrasting groundwater systems

    Science.gov (United States)

    Spiteri, Claudette; Slomp, Caroline P.; Regnier, Pierre; Meile, Christof; Van Cappellen, Philippe

    2007-06-01

    A 1D reactive transport model (RTM) is used to obtain a mechanistic understanding of the fate of phosphorus (P) in the saturated zone of two contrasting aquifer systems. We use the field data from two oxic, electron donor-poor, wastewater-impacted, sandy Canadian aquifers, (Cambridge and Muskoka sites) as an example of a calcareous and non-calcareous groundwater system, respectively, to validate our reaction network. After approximately 10 years of wastewater infiltration, P is effectively attenuated within the first 10 m downgradient of the source mainly through fast sorption onto calcite and Fe oxides. Slow, kinetic sorption contributes further to P removal, while precipitation of phosphate minerals (strengite, hydroxyapatite) is quantitatively unimportant in the saturated zone. Nitrogen (N) dynamics are also considered, but nitrate behaves essentially as a conservative tracer in both systems. The model-predicted advancement of the P plume upon continued wastewater discharge at the calcareous site is in line with field observations. Model results suggest that, upon removal of the wastewater source, the P plume at both sites will persist for at least 20 years, owing to desorption of P from aquifer solids and the slow rate of P mineral precipitation. Sensitivity analyses for the non-calcareous scenario (Muskoka) illustrate the importance of the sorption capacity of the aquifer solids for P in modulating groundwater N:P ratios in oxic groundwater. The model simulations predict the breakthrough of groundwater with high P concentrations and low N:P ratios after 17 years at 20 m from the source for an aquifer with low sorption capacity (< 0.02% w/w Fe(OH) 3). In this type of system, denitrification plays a minor role in lowering the N:P ratios because it is limited by the availability of labile dissolved organic matter.

  7. On sampling and modeling complex systems

    International Nuclear Information System (INIS)

    Marsili, Matteo; Mastromatteo, Iacopo; Roudi, Yasser

    2013-01-01

    The study of complex systems is limited by the fact that only a few variables are accessible for modeling and sampling, which are not necessarily the most relevant ones to explain the system behavior. In addition, empirical data typically undersample the space of possible states. We study a generic framework where a complex system is seen as a system of many interacting degrees of freedom, which are known only in part, that optimize a given function. We show that the underlying distribution with respect to the known variables has the Boltzmann form, with a temperature that depends on the number of unknown variables. In particular, when the influence of the unknown degrees of freedom on the known variables is not too irregular, the temperature decreases as the number of variables increases. This suggests that models can be predictable only when the number of relevant variables is less than a critical threshold. Concerning sampling, we argue that the information that a sample contains on the behavior of the system is quantified by the entropy of the frequency with which different states occur. This allows us to characterize the properties of maximally informative samples: within a simple approximation, the most informative frequency size distributions have power law behavior and Zipf’s law emerges at the crossover between the under sampled regime and the regime where the sample contains enough statistics to make inferences on the behavior of the system. These ideas are illustrated in some applications, showing that they can be used to identify relevant variables or to select the most informative representations of data, e.g. in data clustering. (paper)

  8. Geochemical modelling of the long-term dissolution behaviour of the French nuclear glass R7T7

    International Nuclear Information System (INIS)

    Michaux, L.; Mouche, E.; Petit, J.-C.; Fritz, B.

    1992-01-01

    The long-term dissolution behaviour of the French nuclear reference glass R7T7 was studied by means of the geochemical code DISSOL. New experimental data which support some of the assumptions of DISSOL are presented: namely, that the dissolution is congruent and that the altered layer can be considered as an assemblage of secondary phases. At 100 o C the main results of modelling are that the altered layer is essentially formed of a pure siliceous phase (amorphous silica or chalcedony) associated with smectites and zeolites. This sequence of secondary minerals is closely linked to the chemical composition of the glass. For high degrees of reaction, corresponding to high B concentration, the ionic strength reaches 1 and the pH varies from 9 to 10 depending on the CO 2 fugacity; B,Li and Na are essentially found in solution and their concentrations depend on the amount of dissolved glass. By contrast Fe,Al and Zn have low solution concentrations which are controlled by solubility products of secondary minerals. Silicon and Ca have an intermediate behaviour which depends on the choice of selected secondary minerals. The total volume of the secondary phases is always lower than that of the corresponding dissolved glass. The results of modelling compared to static leaching experimental results show only minor differences which can be explained by kinetic control or colloid formation. It is concluded that the altered layer is not a barrier to diffusion. The consequences of this work for actinide solubility are also discussed. (author)

  9. Media Exposure: How Models Simplify Sampling

    DEFF Research Database (Denmark)

    Mortensen, Peter Stendahl

    1998-01-01

    In media planning, the distribution of exposures to more ad spots in more media (print, TV, radio) is crucial to the evaluation of the campaign. If such information should be sampled, it would only be possible in expensive panel-studies (eg TV-meter panels). Alternatively, the distribution...... of exposures may be modelled statistically, using the Beta distribution combined with the Binomial Distribution. Examples are given....

  10. Robust inference in sample selection models

    KAUST Repository

    Zhelonkin, Mikhail; Genton, Marc G.; Ronchetti, Elvezio

    2015-01-01

    The problem of non-random sample selectivity often occurs in practice in many fields. The classical estimators introduced by Heckman are the backbone of the standard statistical analysis of these models. However, these estimators are very sensitive to small deviations from the distributional assumptions which are often not satisfied in practice. We develop a general framework to study the robustness properties of estimators and tests in sample selection models. We derive the influence function and the change-of-variance function of Heckman's two-stage estimator, and we demonstrate the non-robustness of this estimator and its estimated variance to small deviations from the model assumed. We propose a procedure for robustifying the estimator, prove its asymptotic normality and give its asymptotic variance. Both cases with and without an exclusion restriction are covered. This allows us to construct a simple robust alternative to the sample selection bias test. We illustrate the use of our new methodology in an analysis of ambulatory expenditures and we compare the performance of the classical and robust methods in a Monte Carlo simulation study.

  11. Robust inference in sample selection models

    KAUST Repository

    Zhelonkin, Mikhail

    2015-11-20

    The problem of non-random sample selectivity often occurs in practice in many fields. The classical estimators introduced by Heckman are the backbone of the standard statistical analysis of these models. However, these estimators are very sensitive to small deviations from the distributional assumptions which are often not satisfied in practice. We develop a general framework to study the robustness properties of estimators and tests in sample selection models. We derive the influence function and the change-of-variance function of Heckman\\'s two-stage estimator, and we demonstrate the non-robustness of this estimator and its estimated variance to small deviations from the model assumed. We propose a procedure for robustifying the estimator, prove its asymptotic normality and give its asymptotic variance. Both cases with and without an exclusion restriction are covered. This allows us to construct a simple robust alternative to the sample selection bias test. We illustrate the use of our new methodology in an analysis of ambulatory expenditures and we compare the performance of the classical and robust methods in a Monte Carlo simulation study.

  12. Optimal time points sampling in pathway modelling.

    Science.gov (United States)

    Hu, Shiyan

    2004-01-01

    Modelling cellular dynamics based on experimental data is at the heart of system biology. Considerable progress has been made to dynamic pathway modelling as well as the related parameter estimation. However, few of them gives consideration for the issue of optimal sampling time selection for parameter estimation. Time course experiments in molecular biology rarely produce large and accurate data sets and the experiments involved are usually time consuming and expensive. Therefore, to approximate parameters for models with only few available sampling data is of significant practical value. For signal transduction, the sampling intervals are usually not evenly distributed and are based on heuristics. In the paper, we investigate an approach to guide the process of selecting time points in an optimal way to minimize the variance of parameter estimates. In the method, we first formulate the problem to a nonlinear constrained optimization problem by maximum likelihood estimation. We then modify and apply a quantum-inspired evolutionary algorithm, which combines the advantages of both quantum computing and evolutionary computing, to solve the optimization problem. The new algorithm does not suffer from the morass of selecting good initial values and being stuck into local optimum as usually accompanied with the conventional numerical optimization techniques. The simulation results indicate the soundness of the new method.

  13. Use of stratigraphic, petrographic, hydrogeologic and geochemical information for hydrogeologic modelling based on geostatistical simulation

    International Nuclear Information System (INIS)

    Rohlig, K.J.; Fischer, H.; Poltl, B.

    2004-01-01

    This paper describes the stepwise utilization of geologic information from various sources for the construction of hydrogeological models of a sedimentary site by means of geostatistical simulation. It presents a practical application of aquifer characterisation by firstly simulating hydrogeological units and then the hydrogeological parameters. Due to the availability of a large amount of hydrogeological, geophysical and other data and information, the Gorleben site (Northern Germany) has been used for a case study in order to demonstrate the approach. The study, which has not yet been completed, tries to incorporate as much as possible of the available information and to characterise the remaining uncertainties. (author)

  14. KEMOD: A mixed chemical kinetic and equilibrium model of aqueous and solid phase geochemical reactions

    International Nuclear Information System (INIS)

    Yeh, G.T.; Iskra, G.A.

    1995-01-01

    This report presents the development of a mixed chemical Kinetic and Equilibrium MODel in which every chemical species can be treated either as a equilibrium-controlled or as a kinetically controlled reaction. The reaction processes include aqueous complexation, adsorption/desorption, ion exchange, precipitation/dissolution, oxidation/reduction, and acid/base reactions. Further development and modification of KEMOD can be made in: (1) inclusion of species switching solution algorithms, (2) incorporation of the effect of temperature and pressure on equilibrium and rate constants, and (3) extension to high ionic strength

  15. Metal availability in a highly contaminated, dredged-sediment disposal site: field measurements and geochemical modeling.

    Science.gov (United States)

    Lions, Julie; Guérin, Valérie; Bataillard, Philippe; van der Lee, Jan; Laboudigue, Agnès

    2010-09-01

    Two complementary approaches were used to characterize arsenic and metal mobilizations from a dredged-sediment disposal site: a detailed field study combined with hydrogeochemical modeling. Contaminants in sediments were found to be mainly present as sulfides subject to oxidation. Secondary phases (carbonates, sulfates, (hydr)oxides) were also observed. Oxidative processes occurred at different rates depending on physicochemical conditions and contaminant contents in the sediment. Two distinct areas were identified on the site, each corresponding to a specific contaminant mobility behavior. In a reducing area, Fe and As were highly soluble and illustrated anoxic behavior. In well-oxygenated material, groundwater was highly contaminated in Zn, Cd and Pb. A third zone in which sediments and groundwater were less contaminated was also characterized. This study enabled us to prioritize remediation work, which should aim to limit infiltration and long-term environmental impact. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

  16. Influence of ammonia on leaching behaviors of incineration fly ash and its geochemical modeling

    DEFF Research Database (Denmark)

    Astrup, Thomas Fruergaard; Guan, Zhen Zhen; Chen, De Zhen

    2013-01-01

    Incineration fly ash could be contaminated with NH3 that was slipped from the ammonia-based selective non-catalytic reduction(SNCR) process and from evaporation of municipal solid wastes' leachate involved in the wastes. This research was conducted to investigate the impacts of ammonia on leaching....... It was proved that at pH>9, the leaching of DOC increased significantly in the presence of high concentrations of ammonia (≥1357 mg·L-1), but there was little effect when the ammonia level in eluates was not higher than 537 mg·L-1. At pH12, for Cd, Cu, Ni and Zn, their leaching species were predominantly...... by precipitation/dissolution and surface complexation/precipitation processes; Visual MINTEQ modeling could well describe the leaching behaviors of Al, Cu, Pb and Zn from incineration fly ash....

  17. Multiscale sampling model for motion integration.

    Science.gov (United States)

    Sherbakov, Lena; Yazdanbakhsh, Arash

    2013-09-30

    Biologically plausible strategies for visual scene integration across spatial and temporal domains continues to be a challenging topic. The fundamental question we address is whether classical problems in motion integration, such as the aperture problem, can be solved in a model that samples the visual scene at multiple spatial and temporal scales in parallel. We hypothesize that fast interareal connections that allow feedback of information between cortical layers are the key processes that disambiguate motion direction. We developed a neural model showing how the aperture problem can be solved using different spatial sampling scales between LGN, V1 layer 4, V1 layer 6, and area MT. Our results suggest that multiscale sampling, rather than feedback explicitly, is the key process that gives rise to end-stopped cells in V1 and enables area MT to solve the aperture problem without the need for calculating intersecting constraints or crafting intricate patterns of spatiotemporal receptive fields. Furthermore, the model explains why end-stopped cells no longer emerge in the absence of V1 layer 6 activity (Bolz & Gilbert, 1986), why V1 layer 4 cells are significantly more end-stopped than V1 layer 6 cells (Pack, Livingstone, Duffy, & Born, 2003), and how it is possible to have a solution to the aperture problem in area MT with no solution in V1 in the presence of driving feedback. In summary, while much research in the field focuses on how a laminar architecture can give rise to complicated spatiotemporal receptive fields to solve problems in the motion domain, we show that one can reframe motion integration as an emergent property of multiscale sampling achieved concurrently within lamina and across multiple visual areas.

  18. Assessment of the oxygen consumption in the backfill. Geochemical modelling in a saturated backfill

    International Nuclear Information System (INIS)

    Grandia, Fidel; Domenech, Cristina; Arcos, David; Duro, Lara

    2006-11-01

    The consumption of oxygen in the deep disposal is a major concern due to the ability of this element to corrode the canisters where high level nuclear wastes (HLNW) are disposed. The anoxic conditions initially present in a deep geologic environment are disturbed by the excavation of the repository facilities. After sealing the deposition holes and tunnels using clay-based materials, oxygen remains dissolved in porewater or as a gas phase in the unsaturated pores. The main mechanisms of oxygen depletion that can be considered in the backfill materials are: (1) diffusion into the surrounding rock and (2) kinetic reactions with accessory minerals and organic matter existing in the backfill. In this report, a set of numerical simulations are carried out in one and two dimensions in order to test the effect on the oxygen concentration in the pore water of all these mechanisms. The backfill considered is a 0/70 mixture of MX-80 bentonite and crushed material from the excavation itself. In addition to organic matter, the solid phases with reducing capacity in the backfill are Fe(II)-bearing minerals: pyrite (FeS 2 ) and siderite (FeCO) (as accessory minerals in the bentonite) and Fe-biotite (from the crushed granite). In the simulations, other chemical processes like cation exchange and surface complexation onto clay surfaces, and thermodynamic equilibrium with calcite, gypsum and quartz are considered. Initial composition of porewater is obtained by equilibrating the Forsmark groundwater with the backfill material. The 1D simulation consists of a number of cells with no reactive minerals or organic matter representing granite. The central cell, however, contains oxygen and reactive minerals resembling a backfill. Oxygen is allowed to move only by diffusion. The 2D model simulates the interaction with a backfill of a granitic groundwater flowing through a fracture. Like in the 1D model, the backfill contains oxygen and reactive solids. The results are very similar in

  19. Assessment of the oxygen consumption in the backfill. Geochemical modelling in a saturated backfill

    Energy Technology Data Exchange (ETDEWEB)

    Grandia, Fidel; Domenech, Cristina; Arcos, David; Duro, Lara [Enviros Spain S.L., Barcelona (Spain)

    2006-11-15

    The consumption of oxygen in the deep disposal is a major concern due to the ability of this element to corrode the canisters where high level nuclear wastes (HLNW) are disposed. The anoxic conditions initially present in a deep geologic environment are disturbed by the excavation of the repository facilities. After sealing the deposition holes and tunnels using clay-based materials, oxygen remains dissolved in porewater or as a gas phase in the unsaturated pores. The main mechanisms of oxygen depletion that can be considered in the backfill materials are: (1) diffusion into the surrounding rock and (2) kinetic reactions with accessory minerals and organic matter existing in the backfill. In this report, a set of numerical simulations are carried out in one and two dimensions in order to test the effect on the oxygen concentration in the pore water of all these mechanisms. The backfill considered is a 0/70 mixture of MX-80 bentonite and crushed material from the excavation itself. In addition to organic matter, the solid phases with reducing capacity in the backfill are Fe(II)-bearing minerals: pyrite (FeS{sub 2}) and siderite (FeCO) (as accessory minerals in the bentonite) and Fe-biotite (from the crushed granite). In the simulations, other chemical processes like cation exchange and surface complexation onto clay surfaces, and thermodynamic equilibrium with calcite, gypsum and quartz are considered. Initial composition of porewater is obtained by equilibrating the Forsmark groundwater with the backfill material. The 1D simulation consists of a number of cells with no reactive minerals or organic matter representing granite. The central cell, however, contains oxygen and reactive minerals resembling a backfill. Oxygen is allowed to move only by diffusion. The 2D model simulates the interaction with a backfill of a granitic groundwater flowing through a fracture. Like in the 1D model, the backfill contains oxygen and reactive solids. The results are very similar in

  20. Intercomparison of Cement Solid-Solution Models. Issues Affecting the Geochemical Evolution of Repositories for Radioactive Waste

    International Nuclear Information System (INIS)

    Benbow, Steven; Savage, David; Walker, Colin

    2007-05-01

    Many concepts for the geological storage of radioactive waste incorporate cement based materials, which act to provide a chemical barrier, impede groundwater flow or provide structural integrity of the underground structures. Thus, it is important to understand the long-term behaviour of these materials when modelling scenarios for the potential release and migration of radionuclides. In the presence of invasive groundwater, the chemical and physical properties of cement, such as its pH buffering capacity, resistance to flow, and its mechanical properties, are expected to evolve with time. Modelling the degradation of cement is complicated by the fact that the long term pH buffer is controlled by the incongruent dissolution behaviour of calcium-silicate-hydrate (C-S-H) gel. It has been previously shown (SKI Report 2005:64) that it is possible to simulate the long term evolution of both the physical and chemical properties of cement based materials in an invasive groundwater using a fully coupled geochemical transport model. The description of the incongruent dissolution of C-S-H gel was based on a binary solid solution aqueous solution (SSAS) between end-member components portlandite (Ca(OH) 2 ) and a C-S-H gel composition expressed by its component oxides (CaH 2 SiO 4 ). The models considered a range of uncertainties including different groundwater compositions, parameterised couplings between the evolution of porosity with permeability and diffusivity and alternative secondary mineral assemblages. The results of the modelling suggested that alternative evolutions were possible under these different conditions. The focus of this report is to address the uncertainty regarding the choice of model for the C-S-H gel dissolution. We compare two alternative C-S-H SSAS models with the one that was used in the previous report, with an emphasis on a direct comparison of the model predictions. Thus we have chosen one simple simulated experimental model based on those in the

  1. Depositional models of the shallow marine carbonates in the geochemical cycle. Busshitsu junkan ni okeru asaumi tansan'engan no taiseki model

    Energy Technology Data Exchange (ETDEWEB)

    Nakamori, T [Tohoku University, Sendai (Japan). Institute of Geology and Paleontology

    1993-06-15

    This paper summarizes depositional models of carbonates related to carbon circulation on the earth surface. The paper lists the following examples of modelling the Recent coral reefs: A model that divides coral reefs into several boxes corresponding to geographies, and estimates organic and inorganic carbon production in each box; and a model that discusses seawater flows to estimate fluxes of organic and inorganic carbons between the boxes and between the reefs and open seas. Carbon circulation in a time scale of the Quaternary may be described appropriately by the box model corresponding to the condition of deposition and dissolution of the carbonate rocks. Several examples of modelling oceans and coral reefs are described briefly. The paper lists a model by Berner et al. that notes migration of carbon, Ca, and Mg among five boxes of Ca-Mg silicate, ocean, atmosphere, calcite, and dolomite regarding the geochemical cycle during about 600 million years in the Phanerozoic era. It also explains a model developed from the former model. 39 refs., 1 fig.

  2. Modeling of geochemical processes related to uranium mobilization in the groundwater of a uranium mine

    International Nuclear Information System (INIS)

    Gomez, P.; Garralon, A.; Buil, B.; Turrero, Ma.J.; Sanchez, L.; Cruz, B. de la

    2006-01-01

    This paper describes the processes leading to uranium distribution in the groundwater of five boreholes near a restored uranium mine (dug in granite), and the environmental impact of restoration work in the discharge area. The groundwater uranium content varied from < 1 μg/L in reduced water far from the area of influence of the uranium ore-containing dyke, to 104 μg/L in a borehole hydraulically connected to the mine. These values, however, fail to reflect a chemical equilibrium between the water and the pure mineral phases. A model for the mobilization of uranium in this groundwater is therefore proposed. This involves the percolation of oxidized waters through the fractured granite, leading to the oxidation of pyrite and arsenopyrite and the precipitation of iron oxyhydroxides. This in turn leads to the dissolution of the primary pitchblende and, subsequently, the release of U(VI) species to the groundwater. These U(VI) species are retained by iron hydroxides. Secondary uranium species are eventually formed as reducing conditions are re-established due to water-rock interactions

  3. 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.

  4. Study of (U,Pu)O2 spent fuel matrix alteration under geological disposal conditions: Experimental approach and geochemical modeling

    International Nuclear Information System (INIS)

    Odorowski, Melina

    2015-01-01

    To assess the performance of direct disposal of spent fuel in a nuclear waste repository, researches are performed on the long-term behavior of spent fuel (UO x and MO x ) under environmental conditions close to those of the French disposal site. The objective of this study is to determine whether the geochemistry of the Callovian-Oxfordian (CO x ) clay geological formation and the steel overpack corrosion (producing iron and hydrogen) have an impact on the oxidative dissolution of the (U,Pu)O 2 matrix under alpha radiolysis of water. Leaching experiments have been performed with UO 2 pellets doped with alpha emitters (Pu) and MIMAS MO x fuel (un-irradiated or spent fuel) to study the effect of the CO x groundwater and of the presence of metallic iron upon the oxidative dissolution of these materials induced by the radiolysis of water. Results indicate an inhibiting effect of the CO x water on the oxidative dissolution. In the presence of iron, two different behaviors are observed. Under alpha irradiation as the one expected in the geological disposal, the alteration of UO 2 matrix and MO x fuel is very strongly inhibited because of the consumption of radiolytic oxidative species by iron in solution leading to the precipitation of Fe(III)-hydroxides on the pellets surface. On the contrary, under a strong beta/gamma irradiation field, alteration tracers indicate that the oxidative dissolution goes on and that uranium concentration in solution is controlled by the solubility of UO 2 (am,hyd). This is explained by the shifting of the redox front from the fuel surface to the bulk solution not protecting the fuel anymore. The developed geochemical (CHESS) and reactive transport (HYTEC) models correctly represent the main results and occurring mechanisms. (author) [fr

  5. 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

  6. Alligator Rivers Analogue project. Geochemical modelling of secondary uranium ore formation. Final Report - Volume 11

    International Nuclear Information System (INIS)

    Sverjensky, D.; Bennett, D.G.; Read, D.

    1992-01-01

    The purpose of the present study was to establish how the uranyl phosphate zone at the Koongarra site was formed. The overall approach taken in the present study employed theoretical chemical mass transfer calculations and models that permit investigation and reconstruction of the kinds of waters that could produce the uranyl phosphate zone. These calculations have used the geological and mineralogical data for the Koongarra weathered zone (Volumes 2, 8, and 9 of this series), to constrain the initial compositions and reactions undergone by groundwater during the formation of the uranyl phosphate zone. In carrying out these calculations the present-day analyses of Koongarra waters are used only as a guide to the possible initial composition of the fluids associated with the formation of the phosphate zone. Aqueous speciation, saturation state and chemical mass transfer calculations were carried out using the computer programs EQ3NR and EQ6 (Wolery, 1983; Wolery et al., 1984) and a thermodynamic database generated at The Johns Hopkins University over the last eight years which is tabulated in the Appendix 1 to Volume 12 of this series. Despite uncertainties in the thermodynamic characterisation of species, all the above calculations suggest that the uranyl phosphate zone at Koongarra has not formed from present-day groundwaters (Volume 12 of this series). The present-day groundwaters in the weathered zone (eg. at 13 m depth) appear to be undersaturated with respect to saleeite. Furthermore, as present-day groundwaters descend below the water table they rapidly lose their atmospheric oxygen imprint, as is typical of most groundwaters, and become even more reducing in character. Under these circumstances, the groundwaters become more undersaturated with respect to saleeite than the shallow groundwaters. Because much of the phosphate zone is currently below the water table, under saturated zone conditions, it is suggested in the present study that the uranyl phosphate

  7. Alligator Rivers Analogue project. Geochemical modelling of secondary uranium ore formation. Final Report - Volume 11

    Energy Technology Data Exchange (ETDEWEB)

    Sverjensky, D [The John Hopkins Univ, Dept of Earth and Planetary Sciences, Baltimore (United States); Bennett, D G; Read, D [W.S. Atkins Science and Technology, Epsom Surrey, (United Kingdom)

    1993-12-31

    The purpose of the present study was to establish how the uranyl phosphate zone at the Koongarra site was formed. The overall approach taken in the present study employed theoretical chemical mass transfer calculations and models that permit investigation and reconstruction of the kinds of waters that could produce the uranyl phosphate zone. These calculations have used the geological and mineralogical data for the Koongarra weathered zone (Volumes 2, 8, and 9 of this series), to constrain the initial compositions and reactions undergone by groundwater during the formation of the uranyl phosphate zone. In carrying out these calculations the present-day analyses of Koongarra waters are used only as a guide to the possible initial composition of the fluids associated with the formation of the phosphate zone. Aqueous speciation, saturation state and chemical mass transfer calculations were carried out using the computer programs EQ3NR and EQ6 (Wolery, 1983; Wolery et al., 1984) and a thermodynamic database generated at The Johns Hopkins University over the last eight years which is tabulated in the Appendix 1 to Volume 12 of this series. Despite uncertainties in the thermodynamic characterisation of species, all the above calculations suggest that the uranyl phosphate zone at Koongarra has not formed from present-day groundwaters (Volume 12 of this series). The present-day groundwaters in the weathered zone (eg. at 13 m depth) appear to be undersaturated with respect to saleeite. Furthermore, as present-day groundwaters descend below the water table they rapidly lose their atmospheric oxygen imprint, as is typical of most groundwaters, and become even more reducing in character. Under these circumstances, the groundwaters become more undersaturated with respect to saleeite than the shallow groundwaters. Because much of the phosphate zone is currently below the water table, under saturated zone conditions, it is suggested in the present study that the uranyl phosphate

  8. Alligator Rivers Analogue project. Geochemical modelling of secondary uranium ore formation. Final Report - Volume 11

    Energy Technology Data Exchange (ETDEWEB)

    Sverjensky, D. [The John Hopkins Univ, Dept of Earth and Planetary Sciences, Baltimore (United States); Bennett, D.G.; Read, D. [W.S. Atkins Science and Technology, Epsom Surrey, (United Kingdom)

    1992-12-31

    The purpose of the present study was to establish how the uranyl phosphate zone at the Koongarra site was formed. The overall approach taken in the present study employed theoretical chemical mass transfer calculations and models that permit investigation and reconstruction of the kinds of waters that could produce the uranyl phosphate zone. These calculations have used the geological and mineralogical data for the Koongarra weathered zone (Volumes 2, 8, and 9 of this series), to constrain the initial compositions and reactions undergone by groundwater during the formation of the uranyl phosphate zone. In carrying out these calculations the present-day analyses of Koongarra waters are used only as a guide to the possible initial composition of the fluids associated with the formation of the phosphate zone. Aqueous speciation, saturation state and chemical mass transfer calculations were carried out using the computer programs EQ3NR and EQ6 (Wolery, 1983; Wolery et al., 1984) and a thermodynamic database generated at The Johns Hopkins University over the last eight years which is tabulated in the Appendix 1 to Volume 12 of this series. Despite uncertainties in the thermodynamic characterisation of species, all the above calculations suggest that the uranyl phosphate zone at Koongarra has not formed from present-day groundwaters (Volume 12 of this series). The present-day groundwaters in the weathered zone (eg. at 13 m depth) appear to be undersaturated with respect to saleeite. Furthermore, as present-day groundwaters descend below the water table they rapidly lose their atmospheric oxygen imprint, as is typical of most groundwaters, and become even more reducing in character. Under these circumstances, the groundwaters become more undersaturated with respect to saleeite than the shallow groundwaters. Because much of the phosphate zone is currently below the water table, under saturated zone conditions, it is suggested in the present study that the uranyl phosphate

  9. Hydro-geochemical paths of multi-layer groundwater system in coal mining regions - Using multivariate statistics and geochemical modeling approaches.

    Science.gov (United States)

    Liu, Pu; Hoth, Nils; Drebenstedt, Carsten; Sun, Yajun; Xu, Zhimin

    2017-12-01

    Groundwater is an important drinking water resource that requires protection in North China. Coal mining industry in the area may influence the water quality evolution. To provide primary characterization of the hydrogeochemical processes and paths that control the water quality evolution, a complex multi-layer groundwater system in a coal mining area is investigated. Multivariate statistical methods involving hierarchical cluster analysis (HCA) and principal component analysis (PCA) are applied, 6 zones and 3 new principal components are classified as major reaction zones and reaction factors. By integrating HCA and PCA with hydrogeochemical correlations analysis, potential phases, reactions and connections between various zones are presented. Carbonates minerals, gypsum, clay minerals as well as atmosphere gases - CO 2 , H 2 O and NH 3 are recognized as major reactants. Mixtures, evaporation, dissolution/precipitation of minerals and cation exchange are potential reactions. Inverse modeling is finally used, and it verifies the detailed processes and diverse paths. Consequently, 4 major paths are found controlling the variations of groundwater chemical properties. Shallow and deep groundwater is connected primarily by the flow of deep groundwater up through fractures and faults into the shallow aquifers. Mining does not impact the underlying aquifers that represent the most critical groundwater resource. But controls should be taken to block the mixing processes from highly polluted mine water. The paper highlights the complex hydrogeochemical evolution of a multi-layer groundwater system under mining impact, which could be applied to further groundwater quality management in the study area, as well as most of the other coalfields in North China. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. 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

  11. Modeling the geochemical distribution of rare earth elements (REEs using multivariate statistics in the eastern part of Marvast placer, the Yazd province

    Directory of Open Access Journals (Sweden)

    Amin Hossein Morshedy

    2017-07-01

    Full Text Available Introduction Nowadays, exploration of rare earth element (REE resources is considered as one of the strategic priorities, which has a special position in the advanced and intelligent industries (Castor and Hedrick, 2006. Significant resources of REEs are found in a wide range of geological settings, including primary deposits associated with igneous and hydrothermal processes (e.g. carbonatite, (per alkaline-igneous rocks, iron-oxide breccia complexes, scarns, fluorapatite veins and pegmatites, and secondary deposits concentrated by sedimentary processes and weathering (e.g. heavy-mineral sand deposits, fluviatile sandstones, unconformity-related uranium deposits, and lignites (Jaireth et al., 2014. Recent studies on various parts of Iran led to the identification of promising potential of these elements, including Central Iran, alkaline rocks in the Eslami Peninsula, iron and apatite in the Hormuz Island, Kahnouj titanium deposit, granitoid bodies in Yazd, Azerbaijan, and Mashhad and associated dikes, and finally placers related to the Shemshak formation in Marvast, Kharanagh, and Ardekan indicate high concentration of REE in magmatogenic iron–apatite deposits in Central Iran and placers in Marvast area in Yazd (Ghorbani, 2013. Materials and methods In the present study, the geochemical behavior of rare earth elements is modeled by using multivariate statistical methods in the eastern part of the Marvast placer. Marvast is located 185 km south of the city of Yazd in central Iran between Yazd and Mehriz. This area lies within the southeastern part of the Sanandaj-Sirjan Zone (Alipour-Asll et al., 2012. The samples of 53 wells were analyzed for Whole-rock trace-element concentrations (including REE by inductively coupled plasma-mass spectrometry (ICP-MS (GSI, 2004. The clustering techniques such as multivariate statistical analysis technique can be employed to find appropriate groups in data sets. One of the main objectives of data clustering

  12. 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

  13. 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)

  14. 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.

  15. Iron corrosion in an anoxic soil: Comparison between thermodynamic modelling and ferrous archaeological artefacts characterised along with the local in situ geochemical conditions

    Energy Technology Data Exchange (ETDEWEB)

    Saheb, M.; Neff, D.; Michelin, A.; Dillmann, P. [CEA Saclay, CNRS, LAPA SIS2M, UMR3299, 91 - Gif-sur-Yvette (France); Saheb, M. [ANDRA, F-92298 Chatenay Malabry (France); Descostes, M. [CEA Saclay, DEN DANS DPC SECR, Lab Radionuclides Migrat Measurements and Modelling, 91 - Gif-sur-Yvette (France); Descostes, M. [Univ Evry, CEA, CNRS, UMR 8587, Evry (France); Dillmann, P. [CNRS, Inst Rech Archeomat, UMR 5060, F-75700 Paris (France)

    2010-07-01

    This article is part of an ongoing study on the long-term corrosion behaviour of ferrous archaeological artefacts. The aim of this study is to correlate the corrosion products formed on ancient artefacts in an anoxic medium to the environmental data using thermodynamic modelling. For this purpose, measurement campaigns have been conducted on the archaeological site of Glinet (16. century, High Normandy (Seine-Maritime), France) where the evolution of the pore water chemistry has been recorded for a period of one year. Three evolution steps have been distinguished after the oxidizing perturbation which was induced by the piezometers installation. The first step was related to an oxidizing environment in which pore water was in equilibrium with a Fe(III) precipitated phase: ferri-hydrite (FeOOH center dot 0.4 H{sub 2}O). The second step was considered as an intermediate step and Fe speciation had evolved; equilibrium was achieved between ferri-hydrite and a Fe(II) carbonate phase: siderite (Fe(II)CO{sub 3}). The last step of the evolution was related to a reducing stage where pore water was in equilibrium with magnetite (Fe(II, III){sub 3}O{sub 4}) and with chukanovite (Fe(II){sub 2}(OH){sub 2}CO{sub 3}). As these phases were present in the corrosion layers formed on the archaeological samples, it is possible to conclude that the thermodynamic approach was helpful in developing a better understanding of the effect of geochemical conditions on the composition and mineralogy of the corrosion products formed on archaeological artefacts. This work could be used as a reference for further corrosion studies, especially on long-term corrosion processes applied to nuclear waste disposal. (authors)

  16. 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.

  17. 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

  18. 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.

  19. Pairing Coral Geochemical Analyses with an Ecosystem Services Model to Assess Drivers and Impacts of Sediment Delivery within Micronesia's Largest Estuary, Ngeremeduu Bay

    Science.gov (United States)

    Lewis, S.; Dunbar, R. B.; Mucciarone, D.; Barkdull, M.

    2017-12-01

    Scientific tools assessing impacts to watershed and coastal ecosystem services, like those from land-use land conversion (LULC), are critical for sustainable land management strategies. Small island nations are particularly vulnerable to LULC threats, especially sediment delivery, given their small spatial size and reliance on natural resources. In the Republic of Palau, a small Pacific island country, three major land-use activities—construction, fires, and agriculture— have increased sediment delivery to important estuarine and coastal habitats (i.e., rivers, mangroves, coral reefs) over the past 30 years. This project examines the predictive capacity of an ecosystem services model, Natural Capital Project's InVEST, for sediment delivery using historic land-use and coral geochemical analysis. These refined model projections are used to assess ecosystem services tradeoffs under different future land development and management scenarios. Coral cores (20-41cm in length) were sampled along a high-to-low sedimentation gradient (i.e., near major rivers (high-impact) and ocean (low-impact)) in Micronesia's largest estuary, Ngeremeduu Bay. Isotopic indicators of seasonality (δ18O and δ13C values (% VPDB)) were used to construct the age model for each core. Barium, Manganese, and Yttrium were used as trace metal proxies for sedimentation and measured in each core using a laser ablation ICP-MS. Finally, the Natural Capital Project's InVEST sediment delivery model was paired with Geospatial data to examine the drivers of sediment delivery (i.e., construction, farms and fires) within these two watersheds. A thirty-year record of trace metal to calcium ratios in coral skeletons show a peak in sedimentation during 2006 and 2007, and in 2012. These results suggest historic peaks in sediment delivery correlating to large-scale road construction and support previous findings that Ngeremeduu Bay has reached a tipping point of retaining sediment. Natural Capital's project In

  20. Quest to identify geochemical risk factors associated with chronic kidney disease of unknown etiology (CKDu) in an endemic region of Sri Lanka-a multimedia laboratory analysis of biological, food, and environmental samples.

    Science.gov (United States)

    Levine, Keith E; Redmon, Jennifer Hoponick; Elledge, Myles F; Wanigasuriya, Kamani P; Smith, Kristin; Munoz, Breda; Waduge, Vajira A; Periris-John, Roshini J; Sathiakumar, Nalini; Harrington, James M; Womack, Donna S; Wickremasinghe, Rajitha

    2016-10-01

    The emergence of a new form of chronic kidney disease of unknown etiology (CKDu) in Sri Lanka's North Central Province (NCP) has become a catastrophic health crisis. CKDu is characterized as slowly progressing, irreversible, and asymptomatic until late stages and, importantly, not attributed to diabetes, hypertension, or other known risk factors. It is postulated that the etiology of CKDu is multifactorial, involving genetic predisposition, nutritional and dehydration status, exposure to one or more environmental nephrotoxins, and lifestyle factors. The objective of this limited geochemical laboratory analysis was to determine the concentration of a suite of heavy metals and trace element nutrients in biological samples (human whole blood and hair) and environmental samples (drinking water, rice, soil, and freshwater fish) collected from two towns within the endemic NCP region in 2012 and 2013. This broad panel, metallomics/mineralomics approach was used to shed light on potential geochemical risk factors associated with CKDu. Based on prior literature documentation of potential nephrotoxins that may play a role in the genesis and progression of CKDu, heavy metals and fluoride were selected for analysis. The geochemical concentrations in biological and environmental media areas were quantified. Basic statistical measurements were subsequently used to compare media against applicable benchmark values, such as US soil screening levels. Cadmium, lead, and mercury were detected at concentrations exceeding US reference values in many of the biological samples, suggesting that study participants are subjected to chronic, low-level exposure to these elements. Within the limited number of environmental media samples, arsenic was determined to exceed initial risk screening and background concentration values in soil, while data collected from drinking water samples reflected the unique hydrogeochemistry of the region, including the prevalence of hard or very hard water, and

  1. Combination of a crop model and a geochemical model as a new approach to evaluate the sustainability of an intensive agriculture system.

    Science.gov (United States)

    Mohammed, Gihan; Trolard, Fabienne; Gillon, Marina; Cognard-Plancq, Anne-Laure; Chanzy, André; Bourrié, Guilhem

    2017-10-01

    By combining a crop model (STICS) and a geochemical model (PHREEQC), a new approach to assess the sustainability of agrosystems is proposed. It is based upon aqueous geochemistry and the stepwise modifications of soil solution during its transfer from the surface till aquifer. Meadows of Crau (SE France), irrigated since the 16th century, were field monitored (2012-2015) and modelled. Except for N, the mineral requirements of hay are largely covered by dissolved elements brought by irrigation water with only slight deficits in K and P, which are compensated by P-K fertilizers and the winter pasture by sheep. N cycle results in a very small nitrate leakage. The main determinants of the chemical composition changes of water are: concentration by evaporation, equilibration with soil pCO 2 , mineral nutrition of plants, input of fertilizers, sheep grazing, mineral-solution interactions in superficial formations till the aquifer, including ion exchange. Inverse modelling with PHREEQC allows for quantifying these processes. For groundwater, measured composition fit statistically very well with those computed, validating thus this approach. This long-term established agrosystem protects both soil and water resources: soil nutritional status remains constant with even some P and (minor) K fixation in soils; long-term decarbonatation occurs but it is greatly slowed by saturation of irrigation water by carbonate; P fixation in soil protects groundwater from eutrophication. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Visualization and modeling of sub-populations of compositional data: statistical methods illustrated by means of geochemical data from fumarolic fluids

    Science.gov (United States)

    Pawlowsky-Glahn, Vera; Buccianti, Antonella

    In the investigation of fluid samples of a volcanic system, collected during a given period of time, one of the main goals is to discover cause-effect relationships that allow us to explain changes in the chemical composition. They might be caused by physicochemical factors, such as temperature, pressure, or non-conservative behavior of some chemical constituents (addition or subtraction of material), among others. The presence of subgroups of observations showing different behavior is evidence of unusually complex situations, which might render even more difficult the analysis and interpretation of observed phenomena. These cases require appropriate statistical techniques as well as sound a priori hypothesis concerning underlying geological processes. The purpose of this article is to present the state of the art in the methodology for a better visualization of compositional data, as well as for detecting statistically significant sub-populations. The scheme of this article is to present first the application, and then the underlying methodology, with the aim of the first motivating the second. Thus, the first part has the goal to illustrate how to understand and interpret results, whereas the second is devoted to expose how to perform a study of this kind. The case study is related to the chemical composition of a fumarole of Vulcano Island (southern Italy), called F14. The volcanic activity at Vulcano Island is subject to a continuous program of geochemical surveillance from 1978 up to now and the large data set of observations contains the main chemical composition of volcanic gases as well as trace element concentrations in the condensates of fumarolic gases. Out of the complete set of measured components, the variables H2S, HF and As, determined in samples collected from 1978 to 1993 (As is not available in recent samples) are used to characterize two groups in the original population, which proved to be statistically distinct. The choice of the variables is

  3. 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

  4. 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)

  5. Reaction of Topopah Spring tuff with J-13 water: a geochemical modeling approach using the EQ3/6 reaction path code

    Energy Technology Data Exchange (ETDEWEB)

    Delany, J.M.

    1985-11-25

    EQ3/6 geochemical modeling code package was used to investigate the interaction of the Topopah Spring Tuff and J-13 water at high temperatures. EQ3/6 input parameters were obtained from the results of laboratory experiments using USW G-1 core and J-13 water. Laboratory experiments were run at 150 and 250{sup 0}C for 66 days using both wafer-size and crushed tuff. EQ3/6 modeling reproduced results of the 150{sup 0}C experiments except for a small increase in the concentration of potassium that occurs in the first few days of the experiments. At 250{sup 0}C, the EQ3/6 modeling reproduced the major water/rock reactions except for a small increase in potassium, similar to that noted above, and an overall increase in aluminum. The increase in potassium concentration cannot be explained at this time, but the increase in A1 concentration is believed to be caused by the lack of thermodynamic data in the EQ3/6 data base for dachiardite, a zeolite observed as a run product at 250{sup 0}C. The ability to reproduce the majority of the experimental rock/water interactions at 150{sup 0}C validates the use of EQ3/6 as a geochemical modeling tool that can be used to theoretically investigate physical/chemical environments in support of the Waste Package Task of NNWSI.

  6. Reaction of Topopah Spring tuff with J-13 water: a geochemical modeling approach using the EQ3/6 reaction path code

    International Nuclear Information System (INIS)

    Delany, J.M.

    1985-01-01

    EQ3/6 geochemical modeling code package was used to investigate the interaction of the Topopah Spring Tuff and J-13 water at high temperatures. EQ3/6 input parameters were obtained from the results of laboratory experiments using USW G-1 core and J-13 water. Laboratory experiments were run at 150 and 250 0 C for 66 days using both wafer-size and crushed tuff. EQ3/6 modeling reproduced results of the 150 0 C experiments except for a small increase in the concentration of potassium that occurs in the first few days of the experiments. At 250 0 C, the EQ3/6 modeling reproduced the major water/rock reactions except for a small increase in potassium, similar to that noted above, and an overall increase in aluminum. The increase in potassium concentration cannot be explained at this time, but the increase in A1 concentration is believed to be caused by the lack of thermodynamic data in the EQ3/6 data base for dachiardite, a zeolite observed as a run product at 250 0 C. The ability to reproduce the majority of the experimental rock/water interactions at 150 0 C validates the use of EQ3/6 as a geochemical modeling tool that can be used to theoretically investigate physical/chemical environments in support of the Waste Package Task of NNWSI

  7. 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

  8. 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

  9. [Study on the method for the determination of trace boron, molybdenum, silver, tin and lead in geochemical samples by direct current arc full spectrum direct reading atomic emission spectroscopy (DC-Arc-AES)].

    Science.gov (United States)

    Hao, Zhi-hong; Yao, Jian-zhen; Tang, Rui-ling; Zhang, Xue-mei; Li, Wen-ge; Zhang, Qin

    2015-02-01

    The method for the determmation of trace boron, molybdenum, silver, tin and lead in geochemical samples by direct current are full spectrum direct reading atomic emission spectroscopy (DC-Arc-AES) was established. Direct current are full spectrum direct reading atomic emission spectrometer with a large area of solid-state detectors has functions of full spectrum direct reading and real-time background correction. The new electrodes and new buffer recipe were proposed in this paper, and have applied for national patent. Suitable analytical line pairs, back ground correcting points of elements and the internal standard method were selected, and Ge was used as internal standard. Multistage currents were selected in the research on current program, and each current set different holding time to ensure that each element has a good signal to noise ratio. Continuous rising current mode selected can effectively eliminate the splash of the sample. Argon as shielding gas can eliminate CN band generating and reduce spectral background, also plays a role in stabilizing the are, and argon flow 3.5 L x min(-1) was selected. Evaporation curve of each element was made, and it was concluded that the evaporation behavior of each element is consistent, and combined with the effects of different spectrographic times on the intensity and background, the spectrographic time of 35s was selected. In this paper, national standards substances were selected as a standard series, and the standard series includes different nature and different content of standard substances which meet the determination of trace boron, molybdenum, silver, tin and lead in geochemical samples. In the optimum experimental conditions, the detection limits for B, Mo, Ag, Sn and Pb are 1.1, 0.09, 0.01, 0.41, and 0.56 microg x g(-1) respectively, and the precisions (RSD, n=12) for B, Mo, Ag, Sn and Pb are 4.57%-7.63%, 5.14%-7.75%, 5.48%-12.30%, 3.97%-10.46%, and 4.26%-9.21% respectively. The analytical accuracy was

  10. Geochemical model of a geothermal system: an approach on the analytical uncertainty; Modelo geoquimico de sistema geotermico: un enfoque sobre la incertidumbre analitica

    Energy Technology Data Exchange (ETDEWEB)

    Pal Verma, Mahendra [Instituto de Investigaciones Electricas, Cuernavaca, Morelos (Mexico)

    2008-07-01

    A procedure was developed to consider the analytical uncertainty in each parameter of geochemical analysis of geothermal fluid. The estimation of the uncertainty is based on the results of the geochemical analyses of geothermal fluids (numbered from the 0 to the 14), obtained within the framework of the comparisons program among the geochemical laboratories in the last 30 years. Also the propagation of the analytical uncertainty was realized in the calculation of the parameters of the geothermal fluid in the reservoir, through the methods of interval of uncertainty and GUM (Guide to the expression of Uncertainty of Measurement). The application of the methods is illustrated in the pH calculation of the geothermal fluid in the reservoir, considering samples 10 and 11 as separated waters at atmospheric conditions. [Spanish] Se desarrollo un procedimiento para estimar la incertidumbre analitica en cada parametro de analisis geoquimico de fluido geotermico. La estimacion de la incertidumbre esta basada en los resultados de los analisis geoquimicos de fluidos geotermicos (numerados del 0 al 14), obtenidos en el marco del programa de comparaciones entre los laboratorios geoquimicos en los ultimos 30 anos. Tambien se realizo la propagacion de la incertidumbre analitica en el calculo de los parametros del fluido geotermico en el yacimiento, a traves de los metodos de intervalo de incertidumbre y GUM (Guide to the expression of Uncertainty of Measurement). La aplicacion de los metodos se ilustra en el calculo de pH del fluido geotermico en el yacimiento, considerando las muestras 10 y 11 como aguas separadas a las condiciones atmosfericas.

  11. The applicability and limitations of the geochemical models and tools used in simulating radionuclide behaviour in natural waters. Lessons learned from the Blind Predictive Modelling exercises performed in conjunction with Natural Analogue studies

    International Nuclear Information System (INIS)

    Bruno, J.; Duro, L.; Grive, M.

    2001-07-01

    One of the key applications of Natural Analogue studies to the Performance Assessment (PA) of nuclear waste disposal has been the possibility to test the geochemical models and tools to be used in describing the migration of radionuclides in a future radioactive waste repository system. To this end, several geochemical modelling testing exercises (commonly denoted as Blind Predictive Modelling), have formed an integral part of Natural Analogue Studies over the last decade. Consequently, we thought that this is a timely occasion to make an evaluation of the experience gained and lessons learnt. We have reviewed, discussed and compared the results obtained from the Blind Prediction Modelling (BPM) exercises carried out within 7 Natural Analogue Studies: Oman, Pocos de Caldas, Cigar Lake, Maqarin, El Berrocal, Oklo and Palmottu. To make this comparison meaningful, we present the main geochemical characteristics of each site in order to highlight the most relevant mineralogical and hydrochemical differences. From the complete list of elements studied at all the investigated sites we have made a selection based on the relevance of a given element from a PA viewpoint and on the frequency this element has been included in the BPM exercises. The elements selected for discussion are: Sr, Ba, Sn, Pb, Se, Ni, Zn, REEs, Th and U. We have based our discussion on the results obtained from the speciation as well as solubility calculations. From the comparison of the results it is concluded that we can differentiate between three element categories: 1. Elements whose geochemical behaviour can be fairly well described by assuming solubility control exerted by pure solid phases of the given element (i.e. Th, U under reducing conditions and U in some sites under oxidising conditions); 2. Elements for which the association to major geochemical components of the system must be considered in order to explain their concentrations in groundwaters (i.e. Sr, Ba, Zn, Se, REEs and U under

  12. Laboratory batch experiments and geochemical modelling of water-rock-supercritical CO2 reactions in Southern San Joaquin Valley, California oil field sediments: Implications for future carbon capture and sequestration projects.

    Science.gov (United States)

    Mickler, P. J.; Rivas, C.; Freeman, S.; Tan, T. W.; Baron, D.; Horton, R. A.

    2015-12-01

    Storage of CO2 as supercritical liquid in oil reservoirs has been proposed for enhanced oil recovery and a way to lower atmospheric CO2 levels. The fate of CO2 after injection requires an understanding of mineral dissolution/precipitation reactions occurring between the formation minerals and the existing formation brines at formation temperatures and pressures in the presence of supercritical CO2. In this study, core samples from three potential storage formations, the Vedder Fm. (Rio Bravo oil field), Stevens Fm. (Elk Hills oil field) and Temblor Fm. (McKittrick oil field) were reacted with a synthetic brine and CO2(sc) at reservoir temperature (110°C) and pressure (245-250 bar). A combination of petrographic, SEM-EDS and XRD analyses, brine chemistry, and PHREEQ-C modelling were used to identify geochemical reactions altering aquifer mineralogy. XRD and petrographic analyses identified potentially reactive minerals including calcite and dolomite (~2%), pyrite (~1%), and feldspars (~25-60%). Despite the low abundance, calcite dissolution and pyrite oxidation were dominant geochemical reactions. Feldspar weathering produced release rates ~1-2 orders of magnitude slower than calcite dissolution. Calcite dissolution increased the aqueous concentrations of Ca, HCO3, Mg, Mn and Sr. Silicate weathering increased the aqueous concentrations of Si and K. Plagioclase weathering likely increased aqueous Ca concentrations. Pyrite oxidation, despite attempts to remove O2 from the experiment, increased the aqueous concentration of Fe and SO4. SEM-EDS analysis of post-reaction samples identified mixed-layered illite-smectites associated with feldspar grains suggesting clay mineral precipitation in addition to calcite, pyrite and feldspar dissolution. The Vedder Fm. sample underwent complete disaggregation during the reaction due to cement dissolution. This may adversely affect Vedder Formation CCS projects by impacting injection well integrity.

  13. 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

  14. Control of As and Ni releases from a uranium mill tailings neutralization circuit: Solution chemistry, mineralogy and geochemical modeling of laboratory study results

    Energy Technology Data Exchange (ETDEWEB)

    Mahoney, John [MWH Americas, Inc., 1801 California Street, Denver, CO 80202 (United States)], E-mail: john.j.mahoney@mwhglobal.com; Slaughter, Maynard [Earth Science, University of Northern Colorado, Greeley, CO 80639 (United States); Langmuir, Donald [Hydrochem Systems Corp., P.O. Box 23257, Silverthorne, CO 80498 (United States); Rowson, John [AREVA Resources Canada Inc., P.O. Box 9204, Saskatoon, SK, S7K 3X5 (Canada)

    2007-12-15

    Processing U ores in the JEB Mill of the McClean Lake Operation in northern Saskatchewan produces spent leaching solutions (raffinates) with pH {<=} 1.5, and As and Ni concentrations up to 6800 and 5200 mg L{sup -1}, respectively. Bench-scale neutralization experiments (pH 2-8) were performed to help optimize the design of mill processes for reducing As and Ni concentrations in tailings and raffinates to {<=}1 mg L{sup -1} prior to their disposal. Precipitate mineralogy determined by chemical analysis, XRD, SEM, EM, XM and EXAFS methods, included gypsum (the dominant precipitate), poorly crystalline scorodite (precipitated esp. from pH 2-4), annabergite, hydrobasaluminite, ferrihydrite, green rust II and theophrastite. The As was mostly in scorodite with smaller amounts in annabergite and trace As adsorbed and/or co-precipitated, probably by ferrihydrite. Geochemical modeling indicated that above pH 2, the ion activity product (IAP) of scorodite lies between the solubility products of amorphous and crystalline phases (log K{sub sp} = -23.0 and -25.83, respectively). The IAP decreases with increasing pH, suggesting that the crystallinity of the scorodite increases with pH. Forward geochemical models support the assumption that during neutralization, particles of added base produce sharp local pH gradients and disequilibrium with bulk solutions, facilitating annabergite and theophrastite precipitation.

  15. 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 ...

  16. Geochemical signature of radioactive waste: oil NORM

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Gilberto T. de Paula; Costa-de-Moura, Jorge; Gomes, Carlos de Almeida; Sampaio, Emidio A. Lopes, E-mail: gilberto.costa@cnen.gov.br, E-mail: jcmoura@cnen.gov.br, E-mail: cgomes@cnen.gov.br [Comissao Nacional de Energia Nuclear (CNEN), Rio de Janeiro, RJ (Brazil). Div. de Controle de Rejeitos e Transporte de Materiais Radioativos

    2017-07-01

    The Brazilian Nuclear Agency (CNEN) rules all nuclear activity in Brazil as demanded by the Federal Constitution, articles 21, XXIII, and 177, V, and by the Federal Acts 4.118/62 and 10.308/2001. Therefore, the CNEN is responsible for any radioactive waste disposal in the country. Oil Naturally Occurring Radioactive Materials (Oil NORM) in this paper refers to waste coming from oil exploration. Oil NORM has called much attention during the last decades, mostly because it is not possible to determine its primary source due to the actual absence of regulatory control mechanism. There is no efficient regulatory tool which allows determining the origin of such NORM wastes even among those facilities under regulatory control. This fact may encourage non-authorized radioactive material transportation, smuggling and terrorism. The aim of this project is to provide a geochemical signature for each oil NORM waste using its naturally occurring isotopic composition to identify its origin. The here proposed method is a specific geochemical modeling of oil sludge NORM samples which are analyzed for radioisotopes normally present in oil pipes, such as {sup 228}Ac, {sup 214}Bi and {sup 214}Pb. The activity ratios are plotted in scatter diagrams. This method was successfully tested with data of different sources obtained from analysis reports from the Campos Basin/Brazil and from literature. (author)

  17. Geochemical signature of radioactive waste: oil NORM

    International Nuclear Information System (INIS)

    Costa, Gilberto T. de Paula; Costa-de-Moura, Jorge; Gomes, Carlos de Almeida; Sampaio, Emidio A. Lopes

    2017-01-01

    The Brazilian Nuclear Agency (CNEN) rules all nuclear activity in Brazil as demanded by the Federal Constitution, articles 21, XXIII, and 177, V, and by the Federal Acts 4.118/62 and 10.308/2001. Therefore, the CNEN is responsible for any radioactive waste disposal in the country. Oil Naturally Occurring Radioactive Materials (Oil NORM) in this paper refers to waste coming from oil exploration. Oil NORM has called much attention during the last decades, mostly because it is not possible to determine its primary source due to the actual absence of regulatory control mechanism. There is no efficient regulatory tool which allows determining the origin of such NORM wastes even among those facilities under regulatory control. This fact may encourage non-authorized radioactive material transportation, smuggling and terrorism. The aim of this project is to provide a geochemical signature for each oil NORM waste using its naturally occurring isotopic composition to identify its origin. The here proposed method is a specific geochemical modeling of oil sludge NORM samples which are analyzed for radioisotopes normally present in oil pipes, such as 228 Ac, 214 Bi and 214 Pb. The activity ratios are plotted in scatter diagrams. This method was successfully tested with data of different sources obtained from analysis reports from the Campos Basin/Brazil and from literature. (author)

  18. Monitoring, field experiments, and geochemical modeling of Fe(II) oxidation kinetics in a stream dominated by net-alkaline coal-mine drainage, Pennsylvania, USA

    Science.gov (United States)

    Cravotta,, Charles A.

    2015-01-01

    Watershed-scale monitoring, field aeration experiments, and geochemical equilibrium and kinetic modeling were conducted to evaluate interdependent changes in pH, dissolved CO2, O2, and Fe(II) concentrations that typically take place downstream of net-alkaline, circumneutral coal-mine drainage (CMD) outfalls and during aerobic treatment of such CMD. The kinetic modeling approach, using PHREEQC, accurately simulates observed variations in pH, Fe(II) oxidation, alkalinity consumption, and associated dissolved gas concentrations during transport downstream of the CMD outfalls (natural attenuation) and during 6-h batch aeration tests on the CMD using bubble diffusers (enhanced attenuation). The batch aeration experiments demonstrated that aeration promoted CO2 outgassing, thereby increasing pH and the rate of Fe(II) oxidation. The rate of Fe(II) oxidation was accurately estimated by the abiotic homogeneous oxidation rate law −d[Fe(II)]/dt = k1·[O2]·[H+]−2·[Fe(II)] that indicates an increase in pH by 1 unit at pH 5–8 and at constant dissolved O2 (DO) concentration results in a 100-fold increase in the rate of Fe(II) oxidation. Adjusting for sample temperature, a narrow range of values for the apparent homogeneous Fe(II) oxidation rate constant (k1′) of 0.5–1.7 times the reference value of k1 = 3 × 10−12 mol/L/min (for pH 5–8 and 20 °C), reported by Stumm and Morgan (1996), was indicated by the calibrated models for the 5-km stream reach below the CMD outfalls and the aerated CMD. The rates of CO2 outgassing and O2ingassing in the model were estimated with first-order asymptotic functions, whereby the driving force is the gradient of the dissolved gas concentration relative to equilibrium with the ambient atmosphere. Although the progressive increase in DO concentration to saturation could be accurately modeled as a kinetic function for the conditions evaluated, the simulation of DO as an instantaneous equilibrium process did not affect the

  19. Inferences on the hydrothermal system beneath the resurgent dome in Long Valley Caldera, east-central California, USA, from recent pumping tests and geochemical sampling

    Science.gov (United States)

    Farrar, Christopher D.; Sorey, Michael L.; Roeloffs, Evelyn; Galloway, Devin L.; Howle, James F.; Jacobson, Ronald

    2003-10-01

    Quaternary volcanic unrest has provided heat for episodic hydrothermal circulation in the Long Valley caldera, including the present-day hydrothermal system, which has been active over the past 40 kyr. The most recent period of crustal unrest in this region of east-central California began around 1980 and has included periods of intense seismicity and ground deformation. Uplift totaling more than 0.7 m has been centered on the caldera's resurgent dome, and is best modeled by a near-vertical ellipsoidal source centered at depths of 6-7 km. Modeling of both deformation and microgravity data now suggests that (1) there are two inflation sources beneath the caldera, a shallower source 7-10 km beneath the resurgent dome and a deeper source ˜15 km beneath the caldera's south moat and (2) the shallower source may contain components of magmatic brine and gas. The Long Valley Exploration Well (LVEW), completed in 1998 on the resurgent dome, penetrates to a depth of 3 km directly above this shallower source, but bottoms in a zone of 100°C fluid with zero vertical thermal gradient. Although these results preclude extrapolations of temperatures at depths below 3 km, other information obtained from flow tests and fluid sampling at this well indicates the presence of magmatic volatiles and fault-related permeability within the metamorphic basement rocks underlying the volcanic fill. In this paper, we present recently acquired data from LVEW and compare them with information from other drill holes and thermal springs in Long Valley to delineate the likely flow paths and fluid system properties under the resurgent dome. Additional information from mineralogical assemblages in core obtained from fracture zones in LVEW documents a previous period of more vigorous and energetic fluid circulation beneath the resurgent dome. Although this system apparently died off as a result of mineral deposition and cooling (and/or deepening) of magmatic heat sources, flow testing and tidal

  20. Numerical simulation of in-situ chemical oxidation (ISCO) and biodegradation of petroleum hydrocarbons using a coupled model for bio-geochemical reactive transport

    Science.gov (United States)

    Marin, I. S.; Molson, J. W.

    2013-05-01

    Petroleum hydrocarbons (PHCs) are a major source of groundwater contamination, being a worldwide and well-known problem. Formed by a complex mixture of hundreds of organic compounds (including BTEX - benzene, toluene, ethylbenzene and xylenes), many of which are toxic and persistent in the subsurface and are capable of creating a serious risk to human health. Several remediation technologies can be used to clean-up PHC contamination. In-situ chemical oxidation (ISCO) and intrinsic bioremediation (IBR) are two promising techniques that can be applied in this case. However, the interaction of these processes with the background aquifer geochemistry and the design of an efficient treatment presents a challenge. Here we show the development and application of BIONAPL/Phreeqc, a modeling tool capable of simulating groundwater flow, contaminant transport with coupled biological and geochemical processes in porous or fractured porous media. BIONAPL/Phreeqc is based on the well-tested BIONAPL/3D model, using a powerful finite element simulation engine, capable of simulating non-aqueous phase liquid (NAPL) dissolution, density-dependent advective-dispersive transport, and solving the geochemical and kinetic processes with the library Phreeqc. To validate the model, we compared BIONAPL/Phreeqc with results from the literature for different biodegradation processes and different geometries, with good agreement. We then used the model to simulate the behavior of sodium persulfate (NaS2O8) as an oxidant for BTEX degradation, coupled with sequential biodegradation in a 2D case and to evaluate the effect of inorganic geochemistry reactions. The results show the advantages of a treatment train remediation scheme based on ISCO and IBR. The numerical performance and stability of the integrated BIONAPL/Phreeqc model was also verified.

  1. Geochemical modelling of the weathering zone of the 'Mina Fe' U deposit (Spain): A natural analogue for nuclear spent fuel alteration and stability processes in radwaste disposal

    International Nuclear Information System (INIS)

    Arcos, D.; Perez del Villar, L.; Bruno, J.; Domenech, C.

    2008-01-01

    The 'Mina Fe' U deposit (Salamanca, Spain) has been studied in the context of Enresa's programme for U-mine sites restoration and also as a natural analogue for processes in high-level nuclear waste (HLNW) geological disposal. The investigations encompassed an array of geoscience disciplines, such as structural geology, mineralogy, hydrogeology and elemental and isotopic geochemistry and hydrogeochemistry of the site. Based on the obtained results, a conceptual mineralogical and geochemical model was performed integrating the main geochemical processes occurring at the site: the interaction between oxidised and slightly acidic water with pyrite, pitchblende, calcite and dolomite, as essential minerals of the U fracture-filling mineralisation, and hydroxyapatite from the host rock, as the main source of P. This conceptual model has been tested in a systematic numerical model, which includes the main kinetic (pyrite and pitchblende dissolution) and equilibrium processes (carbonate mineral dissolution, and goethite, schoepite and autunite secondary precipitation). The results obtained from the reactive-transport model satisfactorily agree with the conceptual model previously established. The assumption of the precipitation of coffinite as a secondary mineral in the system cannot be correctly evaluated due to the lack of hydrochemical data from the reducing zone of the site and valid thermodynamic and kinetic data for this hydrated U(IV)-silicate. This precipitation can also be hampered by the probable existence of dissolved U(IV)-organic matter and/or uranyl carbonate complexes, which are thermodynamically stable under the alkaline and reducing conditions that prevail in the reducing zone of the system. Finally, the intense downwards oxic and acidic alteration in the upper part of the system is of no relevance for the performance assessment of a HLNW disposal. However, the acidic and oxidised conditions are quickly buffered to neutral-alkaline and reducing at very

  2. Refining the Neoproterozoic and Early Paleozoic record of carbon cycling and seawater chemistry using quantitative geochemical models of redox dynamics and carbonate diagenesis

    DEFF Research Database (Denmark)

    Ahm, Anne-Sofie Crüger

    based records. Despite the prevalence of diagenesis in sedimentary rocks there are currently few robust geochemical tools capable of providing quantitative information on the extent of alteration from the primary signal. In order to fill this gap, Chapter 3 presents a numerical model of marine carbonate...... through diagenesis and provide more robust estimates for past seawater chemistry. Ancient carbonate rocks with extreme negative carbon isotopes are found worldwide bracketing the Marinoan glaciation (∼635 Ma). There is no scientific consensus as to whether these excursions originate from a primary...... perturbation in the carbon cycle or from diagenetic alterations. Chapter 4 merges new measurements of calcium, magnesium, and strontium isotopes in these sediments with the diagenetic model developed in Chapter 3 to offer new insights into the potential origin of these extreme isotope anomalies....

  3. Comparison of geochemical data obtained using four brine sampling methods at the SECARB Phase III Anthropogenic Test CO2 injection site, Citronelle Oil Field, Alabama

    Science.gov (United States)

    Conaway, Christopher; Thordsen, James J.; Manning, Michael A.; Cook, Paul J.; Trautz, Robert C.; Thomas, Burt; Kharaka, Yousif K.

    2016-01-01

    The chemical composition of formation water and associated gases from the lower Cretaceous Paluxy Formation was determined using four different sampling methods at a characterization well in the Citronelle Oil Field, Alabama, as part of the Southeast Regional Carbon Sequestration Partnership (SECARB) Phase III Anthropogenic Test, which is an integrated carbon capture and storage project. In this study, formation water and gas samples were obtained from well D-9-8 #2 at Citronelle using gas lift, electric submersible pump, U-tube, and a downhole vacuum sampler (VS) and subjected to both field and laboratory analyses. Field chemical analyses included electrical conductivity, dissolved sulfide concentration, alkalinity, and pH; laboratory analyses included major, minor and trace elements, dissolved carbon, volatile fatty acids, free and dissolved gas species. The formation water obtained from this well is a Na–Ca–Cl-type brine with a salinity of about 200,000 mg/L total dissolved solids. Differences were evident between sampling methodologies, particularly in pH, Fe and alkalinity. There was little gas in samples, and gas composition results were strongly influenced by sampling methods. The results of the comparison demonstrate the difficulty and importance of preserving volatile analytes in samples, with the VS and U-tube system performing most favorably in this aspect.

  4. Scalability on LHS (Latin Hypercube Sampling) samples for use in uncertainty analysis of large numerical models

    International Nuclear Information System (INIS)

    Baron, Jorge H.; Nunez Mac Leod, J.E.

    2000-01-01

    The present paper deals with the utilization of advanced sampling statistical methods to perform uncertainty and sensitivity analysis on numerical models. Such models may represent physical phenomena, logical structures (such as boolean expressions) or other systems, and various of their intrinsic parameters and/or input variables are usually treated as random variables simultaneously. In the present paper a simple method to scale-up Latin Hypercube Sampling (LHS) samples is presented, starting with a small sample and duplicating its size at each step, making it possible to use the already run numerical model results with the smaller sample. The method does not distort the statistical properties of the random variables and does not add any bias to the samples. The results is a significant reduction in numerical models running time can be achieved (by re-using the previously run samples), keeping all the advantages of LHS, until an acceptable representation level is achieved in the output variables. (author)

  5. 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.

  6. Automated sample plan selection for OPC modeling

    Science.gov (United States)

    Casati, Nathalie; Gabrani, Maria; Viswanathan, Ramya; Bayraktar, Zikri; Jaiswal, Om; DeMaris, David; Abdo, Amr Y.; Oberschmidt, James; Krause, Andreas

    2014-03-01

    It is desired to reduce the time required to produce metrology data for calibration of Optical Proximity Correction (OPC) models and also maintain or improve the quality of the data collected with regard to how well that data represents the types of patterns that occur in real circuit designs. Previous work based on clustering in geometry and/or image parameter space has shown some benefit over strictly manual or intuitive selection, but leads to arbitrary pattern exclusion or selection which may not be the best representation of the product. Forming the pattern selection as an optimization problem, which co-optimizes a number of objective functions reflecting modelers' insight and expertise, has shown to produce models with equivalent quality to the traditional plan of record (POR) set but in a less time.

  7. Sample Size Determination for Rasch Model Tests

    Science.gov (United States)

    Draxler, Clemens

    2010-01-01

    This paper is concerned with supplementing statistical tests for the Rasch model so that additionally to the probability of the error of the first kind (Type I probability) the probability of the error of the second kind (Type II probability) can be controlled at a predetermined level by basing the test on the appropriate number of observations.…

  8. Motivation, description, and summary status of geomechanical and geochemical modeling studies in Task D of the International DECOVALEX-THMC Project

    International Nuclear Information System (INIS)

    Birkholzer, J.T.; Barr, D.; Rutqvist, J.; Sonnenthal, E.

    2005-01-01

    The DECOVALEX project is an international cooperative project initiated by SKI, the Swedish Nuclear Power Inspectorate, with participation of about 10 international organizations. The general goal of this project is to encourage multidisciplinary interactive and cooperative research on modeling coupled thermo-hydro-mechanical-chemical (THMC) processes in geologic formations in support of the performance assessment for underground storage of radioactive waste. One of the research tasks, initiated in 2004 by the U.S. Department of Energy (DOE), addresses the long-term impact of geomechanical and geochemical processes on the flow conditions near waste emplacement tunnels. Within this task, four international research teams conduct predictive analysis of the coupled processes in two generic repositories, using multiple approaches and different computer codes. Below, we give an overview of the research task and report its current status

  9. 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

  10. Sample-scale zircon geochemical and geochronological heterogeneities as indicators of residual liquid infiltration events in the incrementally assembled Caleu Pluton, Central Chile

    Science.gov (United States)

    Molina, P. G.; Parada, M. A.; Gutiérrez, F. J.; Ma, C.; Li, J.; Liu, Y.

    2013-12-01

    The Upper Cretaceous metaluminous Caleu Pluton is emplaced at a depth equivalent of 2kbar and consists of four lithological zones: the Gabbro-Dioritic Zone (GDZ), the Quartz-Monzodioritic Zone (QMDZ), the Granodioritic Zone (GZ) and the Monzogranitic Zone (MGZ). The zones would have been fed from a deeper magma reservoir emplaced at a 4 kbar. U238/Pb206 LA-ICP-MS geochronology of zircon grains of the four lithological zones (82 analyzed spots, 4 samples) indicates a maximum zircon crystallization range of ca. 106-91 Ma for the pluton as a whole. The U-Pb zircon age distribution of the four samples shows three inflection points at about 101, 99 and 96 Ma, separating four zircon crystallization events with the following weighted average ages and 2σ confidence intervals: 103.×1.6 Ma (n=4), 100.3×0.68 Ma (n=14), 97.49×0.49 Ma (n=25) and 94.66×0.44 Ma (n=30). The GDZ sample records the first three events, the GZ and QMDZ samples record the last three events while the MGZ only have zircons formed during the last two events. It is interesting to note that the youngest event of zircon formation coincide with the Ar/Ar cooling ages (95-93 Ma) previously obtained in hornblende, biotite and plagioclase of the four lithological zones, as a consequence of a rapid pluton exhumation. Temperatures of zircon crystallization (Ti-in-Zrn) obtained in each sample are variable and roughly lower than the zircon saturation temperatures. Most of the Ti-in-Zrn temperatures indicate late-stage crystallization conditions, consistent with the calculated melt composition from which zircons would have crystallized and the observed coexistence of zircons with quartz-orthoclase symplectites, hornblende and interstitial anhedral biotite. There are variable and overlapped total incompatible element concentrations in zircons of the four lithological zones regardless its age and Ti-in-Zrn temperatures, indicating that the melts from which zircon crystallized at different moments, were equivalent

  11. Hydrochemical investigation and status of geochemical modeling of groundwater evolution at the Kamaishi in-situ tests site, Japan

    International Nuclear Information System (INIS)

    Sasamoto, Hiroshi; Yui, Mikazu; Arthur, Randolph C.

    1999-07-01

    The results of hydrochemical investigations of groundwaters in the Kurihashi granodiorite at JNC's Kamaishi in-situ tests site indicate that these solutions are: meteoric in origin, chemically reducing (at depths greater than a few hundreds meters), relatively young [residence times in the Kurihashi granodiorite generally less than about 40 years, but groundwaters older than several thousand years BP (before present) are also indicated by preliminary carbon-14 dating of samples obtained from the KH-1 borehole], Ca-HCO 3 type solutions near the surface, changing to Na-HCO 3 type groundwaters with increasing depth. The evolution of groundwater compositions in the Kurihashi granodiorite is modeled assuming local equilibrium for selected mineral-fluid reactions, taking into account the rainwater origin of these solutions. Results suggest it is possible to interpret approximately the 'real' groundwater chemistry (i.e., pH, Eh, total dissolved concentrations of Si, Na, Ca, K, Al, carbonate and sulfate) in the Kurihashi granodiorite if the following assumptions are adopted: CO 2 concentration in the gas phase contacting pore solutions in the overlying soil zone=10 -2 bar, minerals in the rock zone that control the solubility of respective elements in the groundwater include; chalcedony (Si), albite (Na), kaolinite (Al), calcite (Ca and carbonate), microcline (K) and pyrite (Eh and sulfate). Discussions with international experts suggest a systematic approach utilizing reaction-path models of irreversible water-rock interactions in open systems may be needed to more realistically model groundwater evolution at the Kamaishi test site. Detailed information characterizing certain site properties (e.g., fracture mineralogy) may be required to adequately constrain such models, however. (author)

  12. Integrative Modeling of cap-rock Integrity in the Context of CO2 Storage: Evolution of Transport and Geochemical Properties and Impact on Performance and Safety Assessment

    International Nuclear Information System (INIS)

    Bildstein, O.; Credoz, A.; Jullien, M.; Kervevan, C.; Audigane, P.; Jacquemet, N.; Lagneau, V.; Delaplace, P.; Perfetti, E.

    2010-01-01

    The objective of the 'Geocarbone-INTEGRITE' project (2005-2008) was to develop a methodology to assess the integrity of the cap-rock involved in the geological storage of CO 2 . A specific work package of the project (WP5) was dedicated to the integration of (1) the phenomenology describing the evolution of the storage system with a focus on the mechanisms occurring in the cap-rock and at the interface with the cap-rock, and (2) the data obtained from the investigation of petrographical, geomechanical, and geochemical properties, before and after reaction with CO 2 -rich solutions, performed in the other work packages (WP1 to WP4). This knowledge was introduced in numerical models and specific safety scenarios were defined in order to assess the performance of the CO 2 storage system. The results of the modeling show that the injection of CO 2 can potentially have a significant effect on the cap-rock by changing the porosity due to the dissolution and precipitation of minerals, but that the impact is limited to a zone from several decimeters to several meters of the cap-rock close to the interface with the reservoir depending on whether the supercritical carbon dioxide (SC-CO 2 ) plume enters into the cap-rock and if fractures are present at this location. The methodology used in this project can be applied to a pilot site for the injection of CO 2 in the Paris Basin. A key aspect of the safety of such a facility will be to look at the coupling of geochemical alteration and the evolution of geomechanical properties in the short and medium terms (several hundreds of years). The challenge for the future will be to structure and apply the safety assessment methodology with an operational finality, in order to support the robustness of the transition step to CGS projects at the industrial scale. (authors)

  13. Distribution, Microfabric, and Geochemical Characteristics of Siliceous Rocks in Central Orogenic Belt, China: Implications for a Hydrothermal Sedimentation Model

    Directory of Open Access Journals (Sweden)

    Hongzhong Li

    2014-01-01

    Full Text Available Marine siliceous rocks are widely distributed in the central orogenic belt (COB of China and have a close connection to the geological evolution and metallogenesis. They display periodic distributions from Mesoproterozoic to Jurassic with positive peaks in the Mesoproterozoic, Cambrian—Ordovician, and Carboniferous—Permian and their deposition is enhanced by the tensional geological settings. The compressional regimes during the Jinning, Caledonian, Hercynian, Indosinian, and Yanshanian orogenies resulted in sudden descent in their distribution. The siliceous rocks of the Bafangshan-Erlihe ore deposit include authigenic quartz, syn-depositional metal sulphides, and scattered carbonate minerals. Their SiO2 content (71.08–95.30%, Ba (42.45–503.0 ppm, and ΣREE (3.28–19.75 ppm suggest a hydrothermal sedimentation origin. As evidenced by the Al/(Al + Fe + Mn, Sc/Th, (La/YbN, and (La/CeN ratios and δCe values, the studied siliceous rocks were deposited in a marginal sea basin of a limited ocean. We suggest that the Bafangshan-Erlihe area experienced high- and low-temperature stages of hydrothermal activities. The hydrothermal sediments of the former stage include metal sulphides and silica, while the latter was mainly composed of silica. Despite the hydrothermal sedimentation of the siliceous rocks, minor terrigenous input, magmatism, and biological activity partly contributed to geochemical features deviating from the typical hydrothermal characteristics.

  14. 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

  15. 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

  16. The MIDAS Touch: Mixed Data Sampling Regression Models

    OpenAIRE

    Ghysels, Eric; Santa-Clara, Pedro; Valkanov, Rossen

    2004-01-01

    We introduce Mixed Data Sampling (henceforth MIDAS) regression models. The regressions involve time series data sampled at different frequencies. Technically speaking MIDAS models specify conditional expectations as a distributed lag of regressors recorded at some higher sampling frequencies. We examine the asymptotic properties of MIDAS regression estimation and compare it with traditional distributed lag models. MIDAS regressions have wide applicability in macroeconomics and �nance.

  17. Geochemical investigation of UMTRAP designated site at Durango, Colorado

    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 Durango, Colorado. This is one in a series of site specific geochemical investigations performed on the inactive uranium mill tailings included in the UMTRA 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 are water extracted remove easily soluble salts and acids extracted to remove cabonates and hydroxides. The water extracts and solid samples were analyzed for the major and trace elements. A limited number of samples were analyzed for radiological components. The report includes the methods of sampling, sample processing, analysis, and data interpretation. Three major conclusions are: (1) carbonate salts and low TDS characterize the tailings; (2) the adjacent area and raffinate ponds contain contaminants deposited by a single event of fluid permeation of the soils; and (3) the Animas River adjacent to the site has elevated gross alpha activity attributed to 226 Ra in the sediments derived from the tailings or milling activities

  18. 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

  19. Use of chlorine-36 and other geochemical data to test a groundwater flow model for Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Wolfsberg, A.V.; Fabryka-Martin, J.T.; Levy, S.S.

    1998-01-01

    Defining the spatial distribution and timing of subsurface fluid percolation is one of the most important factors determining long term performance of the potential high-level radioactive waste repository at Yucca Mountain, Nevada. The nonwelded interval of the Paintbrush Group (PTn), which overlies most of the potential repository, has high matrix porosities and permeabilities and is mostly unfractured. The Exploratory Studies Facility (ESF) is a 8-km long, 7.6-m diameter, tunnel excavated beneath Yucca Mountain to the level of the potential repository horizon in order to provide access for characterization of these rocks. Several samples collected within the ESF have measured 36 Cl/Cl ratios that record anthropogenic 36 Cl (bomb-pulse 36 Cl), indicating that at least some fraction of the water has traversed the overlying PTn in 40 years or less and that flow is not confined to the matrix of that unit. The presence of a fast path transmitting bomb-pulse 36 Cl to depth appears to require the simultaneous presence of a structure (such as a fault) cutting the PTn and sufficiently high magnitude to surface infiltration to initiate and sustain at least a small component of fracture flow along the connected fracture path associated with the structure. The 36 Cl data have been simulated using the flow and transport model FEHM in order to establish bounds on infiltration rates at the site and to provide greater confidence in the understanding of unsaturated flow processes at the site by showing consistency between the observed and simulated data sets. An analogous effort simulating the distribution of porewater chloride concentrations is providing an independent means for confirming the conceptual model

  20. 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

  1. An Improved Nested Sampling Algorithm for Model Selection and Assessment

    Science.gov (United States)

    Zeng, X.; Ye, M.; Wu, J.; WANG, D.

    2017-12-01

    Multimodel strategy is a general approach for treating model structure uncertainty in recent researches. The unknown groundwater system is represented by several plausible conceptual models. Each alternative conceptual model is attached with a weight which represents the possibility of this model. In Bayesian framework, the posterior model weight is computed as the product of model prior weight and marginal likelihood (or termed as model evidence). As a result, estimating marginal likelihoods is crucial for reliable model selection and assessment in multimodel analysis. Nested sampling estimator (NSE) is a new proposed algorithm for marginal likelihood estimation. The implementation of NSE comprises searching the parameters' space from low likelihood area to high likelihood area gradually, and this evolution is finished iteratively via local sampling procedure. Thus, the efficiency of NSE is dominated by the strength of local sampling procedure. Currently, Metropolis-Hasting (M-H) algorithm and its variants are often used for local sampling in NSE. However, M-H is not an efficient sampling algorithm for high-dimensional or complex likelihood function. For improving the performance of NSE, it could be feasible to integrate more efficient and elaborated sampling algorithm - DREAMzs into the local sampling. In addition, in order to overcome the computation burden problem of large quantity of repeating model executions in marginal likelihood estimation, an adaptive sparse grid stochastic collocation method is used to build the surrogates for original groundwater model.

  2. Contribution and limits of geochemical calculation codes to evaluate the long term behavior of nuclear waste glasses; Apports et limites des modeles geochimiques pour l'evaluation du comportement a long terme des verres de confinement des dechets radioactifs

    Energy Technology Data Exchange (ETDEWEB)

    Fritz, B; Crovisier, J L [Universite Louis Pasteur, Centre de Geochimie de la Surface, CNRS ULP, Ecole et Observatoire des Sciences de la Terre, 67 - Strasbourg (France)

    1997-07-01

    Geochemical models have been intensively developed by researchers since more than twenty five years in order to be able to better understand and/or predict the long term stability/instability of water-rock systems. These geochemical codes were ail built first on a thermodynamic approach deriving from the application of Mass Action Law. The resulting first generation of models allowed to detect or predict the possible mass transfers (thermodynamic models) between aqueous and mineral phases including irreversible dissolutions of primary minerals and/or precipitation near equilibrium of secondary mineral phases. The recent development of models based on combined thermodynamics and kinetics opens the field of Lime dependent reactions prediction. This is crucial if one thinks to combine geochemical and hydrological studies in the so-called coupled models for transport and reaction calculations. All these models are progressively applied to the prediction of long term behavior of mineral phases, and more specifically glasses. In order to succeed in chat specific extension of the models, but also the data bases, there is a great need for additional new data from experimental approaches and from natural analogues. The modelling approach appears than also very useful in order to interpret the results of experimental data and to relate them to long term data extracted from natural analogues. Specific functions for modelling solid solution phases mat' also be used for describing the products of glasses alterations. (authors)

  3. Random sampling or geostatistical modelling? Choosing between design-based and model-based sampling strategies for soil (with discussion)

    NARCIS (Netherlands)

    Brus, D.J.; Gruijter, de J.J.

    1997-01-01

    Classical sampling theory has been repeatedly identified with classical statistics which assumes that data are identically and independently distributed. This explains the switch of many soil scientists from design-based sampling strategies, based on classical sampling theory, to the model-based

  4. On incomplete sampling under birth-death models and connections to the sampling-based coalescent.

    Science.gov (United States)

    Stadler, Tanja

    2009-11-07

    The constant rate birth-death process is used as a stochastic model for many biological systems, for example phylogenies or disease transmission. As the biological data are usually not fully available, it is crucial to understand the effect of incomplete sampling. In this paper, we analyze the constant rate birth-death process with incomplete sampling. We derive the density of the bifurcation events for trees on n leaves which evolved under this birth-death-sampling process. This density is used for calculating prior distributions in Bayesian inference programs and for efficiently simulating trees. We show that the birth-death-sampling process can be interpreted as a birth-death process with reduced rates and complete sampling. This shows that joint inference of birth rate, death rate and sampling probability is not possible. The birth-death-sampling process is compared to the sampling-based population genetics model, the coalescent. It is shown that despite many similarities between these two models, the distribution of bifurcation times remains different even in the case of very large population sizes. We illustrate these findings on an Hepatitis C virus dataset from Egypt. We show that the transmission times estimates are significantly different-the widely used Gamma statistic even changes its sign from negative to positive when switching from the coalescent to the birth-death process.

  5. 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)

  6. 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).

  7. On Angular Sampling Methods for 3-D Spatial Channel Models

    DEFF Research Database (Denmark)

    Fan, Wei; Jämsä, Tommi; Nielsen, Jesper Ødum

    2015-01-01

    This paper discusses generating three dimensional (3D) spatial channel models with emphasis on the angular sampling methods. Three angular sampling methods, i.e. modified uniform power sampling, modified uniform angular sampling, and random pairing methods are proposed and investigated in detail....... The random pairing method, which uses only twenty sinusoids in the ray-based model for generating the channels, presents good results if the spatial channel cluster is with a small elevation angle spread. For spatial clusters with large elevation angle spreads, however, the random pairing method would fail...... and the other two methods should be considered....

  8. 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.

  9. 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

  10. Inverse Geochemical Reaction Path Modelling and the Impact of Climate Change on Hydrologic Structure in Snowmelt-Dominated Catchments in the Southwestern USA

    Science.gov (United States)

    Driscoll, J. M.; Meixner, T.; Molotch, N. P.; Sickman, J. O.; Williams, M. W.; McIntosh, J. C.; Brooks, P. D.

    2011-12-01

    Snowmelt from alpine catchments provides 70-80% of the American Southwest's water resources. Climate change threatens to alter the timing and duration of snowmelt in high elevation catchments, which may also impact the quantity and the quality of these water resources. Modelling of these systems provides a robust theoretical framework to process the information extracted from the sparse physical measurement available in these sites due to their remote locations. Mass-balance inverse geochemical models (via PHREEQC, developed by the USGS) were applied to two snowmelt-dominated catchments; Green Lake 4 (GL4) in the Rockies and Emerald Lake (EMD) in the Sierra Nevada. Both catchments primarily consist of granite and granodiorite with a similar bulk geochemistry. The inputs for the models were the initial (snowpack) and final (catchment output) hydrochemistry and a catchment-specific suite of mineral weathering reactions. Models were run for wet and dry snow years, for early and late time periods (defined hydrologically as 1/2 of the total volume for the year). Multiple model solutions were reduced to a representative suite of reactions by choosing the model solution with the fewest phases and least overall phase change. The dominant weathering reactions (those which contributed the most solutes) were plagioclase for GL4 and albite for EMD. Results for GL4 show overall more plagioclase weathering during the dry year (214.2g) than wet year (89.9g). Both wet and dry years show more weathering in the early time periods (63% and 56%, respectively). These results show that the snowpack and outlet are chemically more similar during wet years than dry years. A possible hypothesis to explain this difference is a change in contribution from subsurface storage; during the wet year the saturated catchment reduces contact with surface materials that would result in mineral weathering reactions by some combination of reduced infiltration and decreased subsurface transit time. By

  11. Sampling Strategies and Processing of Biobank Tissue Samples from Porcine Biomedical Models.

    Science.gov (United States)

    Blutke, Andreas; Wanke, Rüdiger

    2018-03-06

    In translational medical research, porcine models have steadily become more popular. Considering the high value of individual animals, particularly of genetically modified pig models, and the often-limited number of available animals of these models, establishment of (biobank) collections of adequately processed tissue samples suited for a broad spectrum of subsequent analyses methods, including analyses not specified at the time point of sampling, represent meaningful approaches to take full advantage of the translational value of the model. With respect to the peculiarities of porcine anatomy, comprehensive guidelines have recently been established for standardized generation of representative, high-quality samples from different porcine organs and tissues. These guidelines are essential prerequisites for the reproducibility of results and their comparability between different studies and investigators. The recording of basic data, such as organ weights and volumes, the determination of the sampling locations and of the numbers of tissue samples to be generated, as well as their orientation, size, processing and trimming directions, are relevant factors determining the generalizability and usability of the specimen for molecular, qualitative, and quantitative morphological analyses. Here, an illustrative, practical, step-by-step demonstration of the most important techniques for generation of representative, multi-purpose biobank specimen from porcine tissues is presented. The methods described here include determination of organ/tissue volumes and densities, the application of a volume-weighted systematic random sampling procedure for parenchymal organs by point-counting, determination of the extent of tissue shrinkage related to histological embedding of samples, and generation of randomly oriented samples for quantitative stereological analyses, such as isotropic uniform random (IUR) sections generated by the "Orientator" and "Isector" methods, and vertical

  12. Official Reports: Inventions, useful models, industrial samples, product certificates

    International Nuclear Information System (INIS)

    1994-01-01

    This serial collection presents brief information on patents, useful models, industrial samples, product certificates and trade marks registered in Uzbekistan. They comprise different branches of human activities including peaceful uses of atomic energy. (A.A.D.)

  13. Official Reports: Inventions, useful models, industrial samples, product certificates

    International Nuclear Information System (INIS)

    1996-01-01

    This serial collection presents brief information on patents, useful models, industrial samples, product certificates and trade marks registered in Uzbekistan. They comprise different branches of human activities including peaceful uses of atomic energy. (A.A.D.)

  14. Official Reports: Inventions, useful models, industrial samples, product certificates

    International Nuclear Information System (INIS)

    1995-01-01

    This serial collection presents brief information on patents, useful models, industrial samples, product certificates and trade marks registered in Uzbekistan. They comprise different branches of human activities including peaceful uses of atomic energy. (A.A.D.)

  15. EQ3/6, a software package for geochemical modeling of aqueous systems: Package overview and installation guide (Version 7.0)

    International Nuclear Information System (INIS)

    Wolery, T.J.

    1992-01-01

    EQ3/6 is a software package for geochemical modeling of aqueous systems. This report describes version 7.0. The major components of the package include: EQ3NR, a speciation-solubility code; EQ6, a reaction path code which models water/rock interaction or fluid mixing in either a pure reaction progress mode or a time mode; EQPT, a data file preprocessor, EQLIB, a supporting software library; and five supporting thermodynamic data files. The software deals with the concepts of thermodynamic equilibrium, thermodynamic disequilibrium, and reaction kinetics. The five supporting data files contain both standard state and activity coefficient-related data. Three support the use of the Davies or B equations for the activity coefficients; the other two support the use of Pitzer's equations. The temperature range of the thermodynamic data on the data files varies from 25 degree C only to 0--300 degree C. EQPT takes a formatted data file (a data0 file) and writes an unformatted near-equivalent called a datal file, which is actually the form read by EQ3NR and EQ6. EQ3NR is useful for analyzing groundwater chemistry data, calculating solubility limits, and determining whether certain reactions are in states of partial equilibrium or disequilibrium. It is also required to initialize an EQ6 calculation. EQ6 models the consequences of reacting an aqueous solution with a set of reactants which react irreversibly. It can also model fluid mixing and the consequences of changes in temperature. This code operates both in a pure reaction progress frame and in a time frame

  16. EQ3/6, a software package for geochemical modeling of aqueous systems: Package overview and installation guide (Version 7.0)

    Energy Technology Data Exchange (ETDEWEB)

    Wolery, T.J.

    1992-09-14

    EQ3/6 is a software package for geochemical modeling of aqueous systems. This report describes version 7.0. The major components of the package include: EQ3NR, a speciation-solubility code; EQ6, a reaction path code which models water/rock interaction or fluid mixing in either a pure reaction progress mode or a time mode; EQPT, a data file preprocessor, EQLIB, a supporting software library; and five supporting thermodynamic data files. The software deals with the concepts of thermodynamic equilibrium, thermodynamic disequilibrium, and reaction kinetics. The five supporting data files contain both standard state and activity coefficient-related data. Three support the use of the Davies or B-dot equations for the activity coefficients; the other two support the use of Pitzer`s equations. The temperature range of the thermodynamic data on the data files varies from 25{degree}C only to 0--300{degree}C. EQPT takes a formatted data file (a data0 file) and writes an unformatted near-equivalent called a datal file, which is actually the form read by EQ3NR and EQ6. EQ3NR is useful for analyzing groundwater chemistry data, calculating solubility limits, and determining whether certain reactions are in states of partial equilibrium or disequilibrium. It is also required to initialize an EQ6 calculation. EQ6 models the consequences of reacting an aqueous solution with a set of reactants which react irreversibly. It can also model fluid mixing and the consequences of changes in temperature. This code operates both in a pure reaction progress frame and in a time frame.

  17. Geophysical and geochemical regional evaluation and geophysical model for uranium exploration in the western part of Yanliao region

    International Nuclear Information System (INIS)

    Liu Tengyao; Cui Huanmin; Chen Guoliang; Zhai Yugui

    1992-01-01

    The western part of Yanliao region is an important uranium metallogenic region. This paper summarizes the regional geophysical model for uranium exploration composed of prediction model for favourable area of mineralization and evaluation model for anomalies on the basis of aeromagnetic and aeroradiometric data interpretation and analysis of the data from carborane and ground gamma spectrometric survey, high accurate magnetic survey, VLF survey and α-collected film survey in mult-displiary research work. The prospective prediction for uranium metallogenesis in this region was also conducted

  18. 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

  19. A Unimodal Model for Double Observer Distance Sampling Surveys.

    Directory of Open Access Journals (Sweden)

    Earl F Becker

    Full Text Available Distance sampling is a widely used method to estimate animal population size. Most distance sampling models utilize a monotonically decreasing detection function such as a half-normal. Recent advances in distance sampling modeling allow for the incorporation of covariates into the distance model, and the elimination of the assumption of perfect detection at some fixed distance (usually the transect line with the use of double-observer models. The assumption of full observer independence in the double-observer model is problematic, but can be addressed by using the point independence assumption which assumes there is one distance, the apex of the detection function, where the 2 observers are assumed independent. Aerially collected distance sampling data can have a unimodal shape and have been successfully modeled with a gamma detection function. Covariates in gamma detection models cause the apex of detection to shift depending upon covariate levels, making this model incompatible with the point independence assumption when using double-observer data. This paper reports a unimodal detection model based on a two-piece normal distribution that allows covariates, has only one apex, and is consistent with the point independence assumption when double-observer data are utilized. An aerial line-transect survey of black bears in Alaska illustrate how this method can be applied.

  20. Predictive geochemical modeling of contaminant concentrations in laboratory columns and in plumes migrating from uranium mill tailings waste impoundments

    International Nuclear Information System (INIS)

    Peterson, S.R.; Martin, W.J.; Serne, R.J.

    1986-04-01

    A computer-based conceptual chemical model was applied to predict contaminant concentrations in plumes migrating from a uranium mill tailings waste impoundment. The solids chosen for inclusion in the conceptual model were selected based on reviews of the literature, on ion speciation/solubility calculations performed on the column effluent solutions and on mineralogical characterization of the contacted and uncontacted sediments. The mechanism of adsorption included in the conceptual chemical model was chosen based on results from semiselective extraction experiments and from mineralogical characterization procedures performed on the sediments. This conceptual chemical model was further developed and partially validated in laboratory experiments where assorted acidic uranium mill tailings solutions percolated through various sediments. This document contains the results of a partial field and laboratory validation (i.e., test of coherence) of this chemical model. Macro constituents (e.g., Ca, SO 4 , Al, Fe, and Mn) of the tailings solution were predicted closely by considering their concentrations to be controlled by the precipitation/dissolution of solid phases. Trace elements, however, were generally predicted to be undersaturated with respect to plausible solid phase controls. The concentration of several of the trace elements were closely predicted by considering their concentrations to be controlled by adsorption onto the amorphous iron oxyhydroxides that precipitated

  1. Decreasing DOC trends in soil solution along the hillslopes at two IM sites in southern Sweden--geochemical modeling of organic matter solubility during acidification recovery.

    Science.gov (United States)

    Löfgren, Stefan; Gustafsson, Jon Petter; Bringmark, Lage

    2010-12-01

    Numerous studies report increased concentrations of dissolved organic carbon (DOC) during the last two decades in boreal lakes and streams in Europe and North America. Recently, a hypothesis was presented on how various spatial and temporal factors affect the DOC dynamics. It was concluded that declining sulphur deposition and thereby increased DOC solubility, is the most important driver for the long-term DOC concentration trends in surface waters. If this recovery hypothesis is correct, the DOC levels should increase both in the soil solution as well as in the surrounding surface waters as soil pH rises and the ionic strength declines due to the reduced input of SO(4)(2-) ions. In this project a geochemical model was set up to calculate the net humic charge and DOC solubility trends in soils during the period 1996-2007 at two integrated monitoring sites in southern Sweden, showing clear signs of acidification recovery. The Stockholm Humic Model was used to investigate whether the observed DOC solubility is related to the humic charge and to examine how pH and ionic strength influence it. Soil water data from recharge and discharge areas, covering both podzols and riparian soils, were used. The model exercise showed that the increased net charge following the pH increase was in many cases counteracted by a decreased ionic strength, which acted to decrease the net charge and hence the DOC solubility. Thus, the recovery from acidification does not necessarily have to generate increasing DOC trends in soil solution. Depending on changes in pH, ionic strength and soil Al pools, the trends might be positive, negative or indifferent. Due to the high hydraulic connectivity with the streams, the explanations to the DOC trends in surface waters should be searched for in discharge areas and peat lands. Copyright © 2010 Elsevier B.V. All rights reserved.

  2. A geochemical model of the Peru Basin deep-sea floor—and the response of the system to technical impacts

    Science.gov (United States)

    König, Iris; Haeckel, Matthias; Lougear, André; Suess, Erwin; Trautwein, Alfred X.

    A geochemical model of the Peru Basin deep-sea floor, based on an extensive set of field data as well as on numerical simulations, is presented. The model takes into account the vertical oscillations of the redox zonation that occur in response to both long-term (glacial/interglacial) and short-term (El Niño Southern Oscillation (ENSO) time scale) variations in the depositional flux of organic matter. Field evidence of reaction between the pore water NO 3- and an oxidizable fraction of the structural Fe(II) in the clay mineral content of the deep-sea sediments is provided. The conditions of formation and destruction of reactive clay Fe(II) layers in the sea floor are defined, whereby a new paleo-redox proxy is established. Transitional NO 3- profile shapes are explained by periodic contractions and expansions of the oxic zone (ocean bottom respiration) on the ENSO time scale. The near-surface oscillations of the oxic-suboxic boundary constitute a redox pump mechanism of major importance with respect to diagenetic trace metal enrichments and manganese nodule formation, which may account for the particularly high nodule growth rates in this ocean basin. These conditions are due to the similar depth ranges of both the O 2 penetration in the sea floor and the bioturbated high reactivity surface layer (HRSL), all against the background of ENSO-related large variations in depositional C org flux. Removal of the HRSL in the course of deep-sea mining would result in a massive expansion of the oxic surface layer and, thus, the shut down of the near-surface redox pump for centuries, which is demonstrated by numerical modeling.

  3. Regional geochemical baselines for Portuguese shelf sediments

    International Nuclear Information System (INIS)

    Mil-Homens, M.; Stevens, R.L.; Cato, I.; Abrantes, F.

    2007-01-01

    Metal concentrations (Al, Cr, Cu, Ni, Pb and Zn) from the DGM-INETI archive data set have been examined for sediments collected during the 1970s from 267 sites on the Portuguese shelf. Due to the differences in the oceanographic and sedimentological settings between western and Algarve coasts, the archive data set is split in two segments. For both shelf segments, regional geochemical baselines (RGB) are defined using aluminium as a reference element. Seabed samples recovered in 2002 from four distinct areas of the Portuguese shelf are superimposed on these models to identify and compare possible metal enrichments relative to the natural distribution. Metal enrichments associated with anthropogenic influences are identified in three samples collected nearby the Tejo River and are characterised by the highest enrichment factors (EF; EF Pb Zn < 4). EF values close to 1 suggest a largely natural origin for metal distributions in sediments from the other areas included in the study. - Background metal concentrations and their natural variability must be established before assessing anthropogenic impacts

  4. Defining and modeling the soil geochemical background of heavy metals from the Hengshi River watershed (southern China): Integrating EDA, stochastic simulation and magnetic parameters

    International Nuclear Information System (INIS)

    Zhou Xu; Xia Beicheng

    2010-01-01

    It is crucial to separate the soil geochemical background concentrations from anthropogenic anomalies and to provide a realistic environmental geochemical map honoring the fluctuations in original data. This study was carried out in the Hengshi River watershed, north of Guangdong, China and the method proposed combined exploratory data analysis (EDA), sequential indicator co-simulation (SIcS) and the ratio of isothermal remnant magnetization (S 100 = -IRM -100mT /SIRM). The results showed that this is robust procedure for defining and mapping soil geochemical background concentrations in mineralized regions. The rock magnetic parameter helps to improve the mapping process by distinguishing anthropogenic influences. In this study, the geochemical backgrounds for four potentially toxic heavy metals (copper 200 mg/kg; zinc 230 mg/kg; lead 190 mg/kg and cadmium 1.85 mg/kg) Cu, Zn and Cd exceeded the soil Grade II limits (for pH < 6.5) from the Chinese Environmental Quality Standard for Soils (GB 15618-1995) (EQSS) which are 100, 200, 250 and 0.3 mg/kg for Cu, Zn, Pb and Cd, respectively. In particular, the geochemical background level for Cd exceeds standard six times. Results suggest that local public health is at high-risk along the riparian region of the Hengshi River, although the watershed ecosystem has not been severely disturbed.

  5. A coupled geochemical-transport-geomechanical model to address caprock integrity during long-term CO2 storage

    NARCIS (Netherlands)

    Veer, E.F. van der; Waldmann, S.; Fokker, P.A.

    2015-01-01

    Underground storage of CO2 will lead to chemical fluid-rock interactions which may potentially alter the porosity and the flow patterns in faults. In this study, we present a coupled numerical model combining chemical fluid-rock interactions, aqueous diffusion, fluid flow, and mechanical processes,

  6. Small Sample Properties of Bayesian Multivariate Autoregressive Time Series Models

    Science.gov (United States)

    Price, Larry R.

    2012-01-01

    The aim of this study was to compare the small sample (N = 1, 3, 5, 10, 15) performance of a Bayesian multivariate vector autoregressive (BVAR-SEM) time series model relative to frequentist power and parameter estimation bias. A multivariate autoregressive model was developed based on correlated autoregressive time series vectors of varying…

  7. Optimizing incomplete sample designs for item response model parameters

    NARCIS (Netherlands)

    van der Linden, Willem J.

    Several models for optimizing incomplete sample designs with respect to information on the item parameters are presented. The following cases are considered: (1) known ability parameters; (2) unknown ability parameters; (3) item sets with multiple ability scales; and (4) response models with

  8. 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

  9. An overview of the geochemical code MINTEQ: Applications to performance assessment for low-level wastes

    International Nuclear Information System (INIS)

    Peterson, S.R.; Opitz, B.E.; Graham, M.J.; Eary, L.E.

    1987-03-01

    The MINTEQ geochemical computer code, developed at the Pacific Northwest Laboratory (PNL), integrates many of the capabilities of its two immediate predecessors, MINEQL and WATEQ3. The MINTEQ code will be used in the Special Waste Form Lysimeters-Arid program to perform the calculations necessary to simulate (model) the contact of low-level waste solutions with heterogeneous sediments of the interaction of ground water with solidified low-level wastes. The code can calculate ion speciation/solubilitya, 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 was upgraded preparatory to performing the geochemical modeling. Thermodynamic data for solid phases and aqueous species containing Sb, Ce, Cs, or Co were added to the MINTEQ 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 waste forms predicted using MINTEQ will be compared to the long-term lysimeter data. This comparison will constitute a partial field validation of the geochemical model

  10. Latent spatial models and sampling design for landscape genetics

    Science.gov (United States)

    Hanks, Ephraim M.; Hooten, Mevin B.; Knick, Steven T.; Oyler-McCance, Sara J.; Fike, Jennifer A.; Cross, Todd B.; Schwartz, Michael K.

    2016-01-01

    We propose a spatially-explicit approach for modeling genetic variation across space and illustrate how this approach can be used to optimize spatial prediction and sampling design for landscape genetic data. We propose a multinomial data model for categorical microsatellite allele data commonly used in landscape genetic studies, and introduce a latent spatial random effect to allow for spatial correlation between genetic observations. We illustrate how modern dimension reduction approaches to spatial statistics can allow for efficient computation in landscape genetic statistical models covering large spatial domains. We apply our approach to propose a retrospective spatial sampling design for greater sage-grouse (Centrocercus urophasianus) population genetics in the western United States.

  11. 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

  12. A geochemical modelling study of the evolution of the chemical composition of seawater linked to a "snowball" glaciation

    Directory of Open Access Journals (Sweden)

    G. Le Hir

    2008-02-01

    Full Text Available The Snowball Earth theory initially proposed by Kirschvink (1992 to explain the Neoproterozoic glacial episodes, suggested that the Earth was fully ice-covered at 720 Ma (Sturtian episode and 640 Ma (Marinoan episode. This succession of extreme climatic crises induced environmental perturbations which are considered as a strong selective pressure on the evolution of life (Hoffman et al., 1998. Using a numerical model of carbon-alkalinity global cycles, we quantify environmental stresses caused by a global glaciation. According to our results, we suggest that during global glaciations, the ocean becomes acidic (pH~6, and undersaturated with respect to carbonate minerals. Moreover the quick transition from ice-house to greenhouse conditions implies an abrupt and large shift of the oceanic surface temperature which causes an extended hypoxia. The intense continental weathering, in the aftermath of the glaciation, deeply affects the seawater composition inducing rapid changes in terms of pH and alkalinity. We also propose a new timing for post glacial perturbations and for the cap carbonates deposition, ~2 Myr instead of 200 kyr as suggested in a previous modelling study. In terms of Precambrian life sustainability, seawater pH modifications appear drastic all along the glaciation, but we suggest that the buffering action of the oceanic crust dissolution avoids a total collapse of biological productivity. But short-lived and large post-glacial perturbations are more critical and may have played the role of an environmental filter proposed in the classic snowball Earth theory. Although the link between environmental changes and life sustainability cannot be modelled accurately, we suggest that only a permissive life (Knoll, 2003 may explain the relative continuity in microfossils diversity observed before, during and after Neoproterozoic glaciation events.

  13. Nernst-Planck Based Description of Transport, Coulombic Interactions and Geochemical Reactions in Porous Media: Modeling Approach and Benchmark Experiments

    DEFF Research Database (Denmark)

    Rolle, Massimo; Sprocati, Riccardo; Masi, Matteo

    2018-01-01

    ‐ but also under advection‐dominated flow regimes. To accurately describe charge effects in flow‐through systems, we propose a multidimensional modeling approach based on the Nernst‐Planck formulation of diffusive/dispersive fluxes. The approach is implemented with a COMSOL‐PhreeqcRM coupling allowing us......, and high‐resolution experimental datasets. The latter include flow‐through experiments that have been carried out in this study to explore the effects of electrostatic interactions in fully three‐dimensional setups. The results of the simulations show excellent agreement for all the benchmarks problems...... the quantification and visualization of the specific contributions to the diffusive/dispersive Nernst‐Planck fluxes, including the Fickian component, the term arising from the activity coefficient gradients, and the contribution due to electromigration....

  14. Impact of multicollinearity on small sample hydrologic regression models

    Science.gov (United States)

    Kroll, Charles N.; Song, Peter

    2013-06-01

    Often hydrologic regression models are developed with ordinary least squares (OLS) procedures. The use of OLS with highly correlated explanatory variables produces multicollinearity, which creates highly sensitive parameter estimators with inflated variances and improper model selection. It is not clear how to best address multicollinearity in hydrologic regression models. Here a Monte Carlo simulation is developed to compare four techniques to address multicollinearity: OLS, OLS with variance inflation factor screening (VIF), principal component regression (PCR), and partial least squares regression (PLS). The performance of these four techniques was observed for varying sample sizes, correlation coefficients between the explanatory variables, and model error variances consistent with hydrologic regional regression models. The negative effects of multicollinearity are magnified at smaller sample sizes, higher correlations between the variables, and larger model error variances (smaller R2). The Monte Carlo simulation indicates that if the true model is known, multicollinearity is present, and the estimation and statistical testing of regression parameters are of interest, then PCR or PLS should be employed. If the model is unknown, or if the interest is solely on model predictions, is it recommended that OLS be employed since using more complicated techniques did not produce any improvement in model performance. A leave-one-out cross-validation case study was also performed using low-streamflow data sets from the eastern United States. Results indicate that OLS with stepwise selection generally produces models across study regions with varying levels of multicollinearity that are as good as biased regression techniques such as PCR and PLS.

  15. An open-population hierarchical distance sampling model

    Science.gov (United States)

    Sollmann, Rachel; Beth Gardner,; Richard B Chandler,; Royle, J. Andrew; T Scott Sillett,

    2015-01-01

    Modeling population dynamics while accounting for imperfect detection is essential to monitoring programs. Distance sampling allows estimating population size while accounting for imperfect detection, but existing methods do not allow for direct estimation of demographic parameters. We develop a model that uses temporal correlation in abundance arising from underlying population dynamics to estimate demographic parameters from repeated distance sampling surveys. Using a simulation study motivated by designing a monitoring program for island scrub-jays (Aphelocoma insularis), we investigated the power of this model to detect population trends. We generated temporally autocorrelated abundance and distance sampling data over six surveys, using population rates of change of 0.95 and 0.90. We fit the data generating Markovian model and a mis-specified model with a log-linear time effect on abundance, and derived post hoc trend estimates from a model estimating abundance for each survey separately. We performed these analyses for varying number of survey points. Power to detect population changes was consistently greater under the Markov model than under the alternatives, particularly for reduced numbers of survey points. The model can readily be extended to more complex demographic processes than considered in our simulations. This novel framework can be widely adopted for wildlife population monitoring.

  16. An open-population hierarchical distance sampling model.

    Science.gov (United States)

    Sollmann, Rahel; Gardner, Beth; Chandler, Richard B; Royle, J Andrew; Sillett, T Scott

    2015-02-01

    Modeling population dynamics while accounting for imperfect detection is essential to monitoring programs. Distance sampling allows estimating population size while accounting for imperfect detection, but existing methods do not allow for estimation of demographic parameters. We develop a model that uses temporal correlation in abundance arising from underlying population dynamics to estimate demographic parameters from repeated distance sampling surveys. Using a simulation study motivated by designing a monitoring program for Island Scrub-Jays (Aphelocoma insularis), we investigated the power of this model to detect population trends. We generated temporally autocorrelated abundance and distance sampling data over six surveys, using population rates of change of 0.95 and 0.90. We fit the data generating Markovian model and a mis-specified model with a log-linear time effect on abundance, and derived post hoc trend estimates from a model estimating abundance for each survey separately. We performed these analyses for varying numbers of survey points. Power to detect population changes was consistently greater under the Markov model than under the alternatives, particularly for reduced numbers of survey points. The model can readily be extended to more complex demographic processes than considered in our simulations. This novel framework can be widely adopted for wildlife population monitoring.

  17. Geochemical approach to evaluate deforest of mangroves

    OpenAIRE

    Ishiga, Hiroaki; Diallo, Ibrahima M'bemba; Bah Mamadou Lamine Malick,; Ngulimi. Faustine Miguta,; Magai. Paschal Justin,; Shati Samwel Stanley,

    2016-01-01

    Processes of mangrove deforest related human activities were examined. To evaluate changes of soil feature, multielements geochemical compositions of mangrove muds and soils of deforest were analyzed. To describe present situation of the mangrove, Conakry in Guinea, Dar es Salaam in Tanzania, Sundarbans of Bangladesh and Nago in Okinawa of Japan were selected. Soil samples of the forests were evaluated enrichment of biologically concentrated heavy metals such as Zn, Cu and Fe, and TS (total s...

  18. Geochemical modelling of the evolution of a granite-concrete-water system around a repository for spent nuclear fuel

    International Nuclear Information System (INIS)

    Fritz, B.; Made, B.; Tardy, Y.

    1988-04-01

    The interactions between a granitic rock and concrete due to the natural solutions circulating around a repository for spent nuclear fuel has been simulated considering the dissolution of Ca(OH) 2 as the major source of alkalinity due to the concrete. This study follows a previous one considering the same interaction without concrete at 25, 60 and 100 deg C. The temperature range has been extended to 150 deg C. The results of the modelling are considered as following: - evolution of the water chemistry due to detected pssible chemical reactions. - minerals produced and dissolved. The calculations give mass transfers and volumic consequences (opening or closing tendencies). The conclusions of this yearly report are mainly the following: (1) the extent of the temperature range for the storage (up to 150 deg C) does not change the tendencies previously detected in the same conditions without any particular alkaline effect due to concrete dissolution, the reactions occurring tend to decrease the porosity of the rock by a sealing effect due to calcite precipitation and clays formation. (2) The effect of an alkaline concrete dissolution is clearly important, pH may reach very high values in closed system, and the volumic consequence is found in favour of an opening of the porosity, at the stage of saturation of the portlandite. This is probably an important point considering the security of natural barriers around such a repository. (authors)

  19. Graphical models for inference under outcome-dependent sampling

    DEFF Research Database (Denmark)

    Didelez, V; Kreiner, S; Keiding, N

    2010-01-01

    a node for the sampling indicator, assumptions about sampling processes can be made explicit. We demonstrate how to read off such graphs whether consistent estimation of the association between exposure and outcome is possible. Moreover, we give sufficient graphical conditions for testing and estimating......We consider situations where data have been collected such that the sampling depends on the outcome of interest and possibly further covariates, as for instance in case-control studies. Graphical models represent assumptions about the conditional independencies among the variables. By including...

  20. Asphalt Volcanism as a Model to Understand the Geochemical Nature of Pitch Lake, a Planetary Analog for Titan and the Implications towards Methane Flux into Earth's Atmosphere.

    Science.gov (United States)

    Khan, A.

    2016-12-01

    Pitch Lake is located in the southwest peninsula of the island near La Brea in Trinidad and Tobago, covering an area of approximately 46 hectares. It was discovered in the year 1595 and is the largest of three natural asphalt lakes that exist on Earth. Pitch Lake is a large oval shaped reservoir composed of dominantly hydrocarbon compounds, but also includes minor amounts of clay and muddy water. It is a natural liquid asphalt desert, which is nourished by a form of petroleum consisting of mostly asphaltines from the surrounding oil-rich region. The hydrocarbons mix with mud and gases under high pressure during upward seepage, and the lighter portion evaporates or is volatilized, which produces a high-viscosity liquid asphalt residue. The residue on and near the surface is a hydrocarbon matrix, which poses extremely challenging environmental conditions to microorganisms characterized by an average low water activity in the range of 0.49 to 0.75, recalcitrant carbon substrates, and toxic chemical compounds. Nevertheless, an active microbial community of archaea and bacteria, many of them novel strains, was found to inhabit the liquid hydrocarbon matrix of Pitch Lake. Geochemical analyses of minerals, done by our team, which revealed sulfates, sulfides, silicates, and metals, normally associated with deep-water hydrothermal vents leads to our new hypothetical model to describe the origins of Pitch Lake and its importance to atmospheric and earth sciences. Pitch Lake is likely the terrestrial equivalent of an offshore submarine asphalt volcano just as La Brea Tar Pits are in some ways an on-land version of the asphalt volcanoes discovered off shore of Santa Barbara by Valentine et al. in 2010. Asphalt volcanism possibly also creates the habitat for chemosynthetic life that is widespread in this lake, as reported by Schulze-Makuch et al. in 2011 and Meckenstock et al. in 2014.

  1. Porewater Chemistry in Compacted Re-Saturated MX-80 Bentonite: Physico-Chemical Characterisation and Geochemical Modelling

    International Nuclear Information System (INIS)

    Bradbury, M. H.; Baeyens, B.

    2002-06-01

    Bentonites of various types are being investigated in many countries as backfill materials in high-level radioactive waste disposal concepts. Being able to understand the chemistry of the pore water in compacted bentonite, and the factors which influence it, is critical to the synthesis of sorption data bases and to predicting radionuclide solubilities, and hence to repository safety studies. However, quantification of the water chemistry in compacted bentonite is difficult because reliable samples for chemical analysis cannot be obtained even by squeezing at exceedingly high pressures. In this report concepts are developed which are somewhat different from those used in previously published works on bentonite pore water. Considerations of the swelling properties of montmorillonite led to the proposition that there were, generally speaking, three types of water associated with re-saturated compacted bentonite. The water defined as the pore water is only a small fraction of the total. The pore water volume present in re-saturated bentonites having different initial dry densities was quantified using CI- 'through diffusion' data. Highly compacted bentonite is considered to function as an efficient semi-permeable membrane so that re-saturation involves predominantly the movement of water molecules and not solute molecules. This implies that the composition of the external saturating aqueous phase is a second order effect. Consequently CI- concentrations in the pore water could be calculated from the deduced pore water volume values and the measured CI- inventory. The pH of the pore water of a compacted bentonite is an extremely important parameter because of its influence on radionuclide solubility and sorption. Arguments are presented in support of the thesis that the initial pH is fixed by the high buffering capacity afforded by the amphoteric =SOH sites. The pH of the pore water depends directly on the speciation of these sites i.e. the proportions of sites present

  2. Samarium-Neodymium model age and Geochemical (Sr-Nd) signature of a bedrock inclusion from lake Vostok accretion ice.

    Science.gov (United States)

    Delmonte, B.; Petit, J. R.; Michard, A.; Basile-Doelsch, I.; Lipenkov, V.

    2003-04-01

    We investigated properties of the basal ice from Vostok ice core as well as the sediment inclusions within the accreted ice. The Vostok ice core preserves climatic information for the last 420 kyrs down to 3310m depth, but below this depth the horizontal layers of the climatic record are disrupted by the glacier dynamics. From 3450 m to 3538 m depth thin bedrock particles, as glacial flour, are entrapped. Glacial flour is released in the northern area lake, where glacier mostly melts and contributes to sediment accumulation. In the southern area, close to Vostok station, the lake water freezes and the upstream glacial flour does not contribute to sedimentation. The accreted ice contains visible sediment inclusions down to 3608 m (accretion ice 1), while below this depth and likely down to the water interface (˜3750 m), the ice is clear (accretion ice 2). The fine inclusions (1-2mm in diameter) from Accretion Ice 1 mostly consist of fine clays and quartz aggregates and we suggest they are entrained into ice as the glacier floats over shallow depth bay then it grounds against a relief rise. Afterward the glacier freely floats over the deep lake before reaching Vostok, and accreted ice 2 is clean. Sm-Nd dating of one of two inclusions at 3570 m depth gives 1.88 (+/-0.13)Ga (DM model age), corresponding to 1.47 Ga (TCHUR), suggesting a Precambrian origin. Also the isotopic signature of such inclusion (87Sr/86Sr= 0.8232 and eNd= -16) and that of a second one (87Sr/86Sr= 0.7999 and eNd= -15) are coherent with the nature of an old continental shield. Sediments that may initially accumulate in the shallow bay prior the Antarctic glaciation, should have been eroded and exported out of the lake by the glacier movement, this assuming processes for ice accretion and for sediment entrapping operate since a long time. As the glacial flour from upstream does not contribute to sedimentation, sediments need to be renewed at the surface of the bedrock rising question about the way

  3. Geochemical and Thermodinamic Modeling of Segara Anak Lake and the 2009 Eruption of Rinjani Volcano, Lombok, Indonesia

    Directory of Open Access Journals (Sweden)

    Akhmad Solikhin

    2014-06-01

    Full Text Available DOI: 10.17014/ijog.v5i4.106Rinjani is the second highest volcano in Indonesia with an elevation of 3726 m above sea level. The steep and highest cone of Rinjani consists mainly of loose pyroclastic ejecta and contains a crater with a few solfataras. The West of this cone is Segara Anak caldera. The western side of the caldera is occupied by a 230 m deep lake, covering an area of 11 km² and its volume was (before the 2009 eruption estimated 1.02 km3. This is probably the largest hot volcanic lake in the world.The lake water is neutral (pH: 7-8 and its chemistry dominated by chlorides and sulfates with a relatively high TDS (Total Dissolved Solids: 2640 mg/l. This unusual TDS as well as the lake surface temperatures (20 - 22°C well above ambient temperatures (14 - 15°C for this altitude, reflect a strong input of hydrothermal fluids. Numerous hot springs are located along the shore at the foot of Barujari volcanic cone. Bathymetric profiles show also several areas with columns of gas bubbles escaping from the lake floor indicating a significant discharge of CO gas into the lake. The mass and energy balance model of Rinjani Crater Lake produce total heat lost value on the average of 1700 MW. Most of the heating periods of the lake occurred when the heat released by the surface of the lake to the atmosphere was lower than the heat supplied from the hydrothermal system. Peaks of heat losses correspond to period of strong winds. Crater lake monitoring can provide a basic information about deep magmatic activity and surface processes that occur in the volcano. The monitoring also contributes to predict the next eruption in order to improve mitigation of volcanic eruption. Precursory signals of the May 2009 eruption can be seen from significant changes in the temperature and chemistry of some of the hot springs, the increase of Fe concentrations in spring #54, chemical plume of low pH and dissolved oxygen, acidification of Segara

  4. Quantification of anthropogenic impact on groundwater-dependent terrestrial ecosystem using geochemical and isotope tools combined with 3-D flow and transport modelling

    Science.gov (United States)

    Zurek, A. J.; Witczak, S.; Dulinski, M.; Wachniew, P.; Rozanski, K.; Kania, J.; Postawa, A.; Karczewski, J.; Moscicki, W. J.

    2015-02-01

    Groundwater-dependent ecosystems (GDEs) have important functions in all climatic zones as they contribute to biological and landscape diversity and provide important economic and social services. Steadily growing anthropogenic pressure on groundwater resources creates a conflict situation between nature and man which are competing for clean and safe sources of water. Such conflicts are particularly noticeable in GDEs located in densely populated regions. A dedicated study was launched in 2010 with the main aim to better understand the functioning of a groundwater-dependent terrestrial ecosystem (GDTE) located in southern Poland. The GDTE consists of a valuable forest stand (Niepolomice Forest) and associated wetland (Wielkie Błoto fen). It relies mostly on groundwater from the shallow Quaternary aquifer and possibly from the deeper Neogene (Bogucice Sands) aquifer. In July 2009 a cluster of new pumping wells abstracting water from the Neogene aquifer was set up 1 km to the northern border of the fen. A conceptual model of the Wielkie Błoto fen area for the natural, pre-exploitation state and for the envisaged future status resulting from intense abstraction of groundwater through the new well field was developed. The main aim of the reported study was to probe the validity of the conceptual model and to quantify the expected anthropogenic impact on the studied GDTE. A wide range of research tools was used. The results obtained through combined geologic, geophysical, geochemical, hydrometric and isotope investigations provide strong evidence for the existence of upward seepage of groundwater from the deeper Neogene aquifer to the shallow Quaternary aquifer supporting the studied GDTE. Simulations of the groundwater flow field in the study area with the aid of a 3-D flow and transport model developed for Bogucice Sands (Neogene) aquifer and calibrated using environmental tracer data and observations of hydraulic head in three different locations on the study area

  5. Electrical Conductivity Model of the Mantle Lithosphere of the Slave Craton (NW Canada) and its tectonic interpretation in the context of Geochemical Results

    Science.gov (United States)

    Lezaeta, P.; Chave, A.; Evans, R.; Jones, A. G.; Ferguson, I.

    2002-12-01

    The Slave Craton, northwestern Canada, contains the oldest known rocks on Earth, with exposed outcrop over an area of about 600x400 km2. The discovery of economic diamondiferous kimberlite pipes during the early 1990s motivated extensive research in the region. Over the last six years, four types of deep-probing magnetotelluric (MT) surveys were conducted within the framework of diverse geoscientific programs, aimed at determining the regional-scale electrical structures of the craton. Two of the surveys involved novel acquisition; one through frozen lake ice along ice roads during winter, and the second deploying ocean-bottom instrumentation from float planes during summer. The latter surveys required one year of recording between summers, thus allowing long period transfer functions that lead to mantle penetration depths of over 300 km. Two-dimensional modeling of the MT data from along the winter road showed the existence of a high conductivity zone at depths of 80-120 km beneath the central Slave craton. This anomalous region is spatially coincident with an ultradepleted harzburgitic layer in the upper mantle that was interpreted by others to be related to a subducted slab emplaced during the mid-Archean. A 3-D electrical conductivity model of the Slave lithosphere has been obtained, by trial and error, to fit the magnetic transfer and MT response functions from the lake experiments. This 3-D model traces the central Slave conductor as a NE-SW oriented mantle structure. Its NE-SW orientation coincides with that of a late fold belt system, with the first phase of craton-wide plutonism at ca 2630-2590 Ma, three-part subdivision of the craton based on SKS results, and with a G10 (garnet) geochemical mantle boundaries. All of these highlight a NE-SW structural grain to the lithospheric mantle of the craton, in sharp contrast to the N-S grain of the crust. Constraints on the depth range and lateral extension of the electrical conductive structure are obtained

  6. 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

  7. Some results of NURE uranium geochemical studies

    International Nuclear Information System (INIS)

    Price, V. Jr.

    1979-01-01

    Some technical developments of the National Uranium Resource Evaluation Program which are of general application in geochemical exploration are being studied. Results of stream water and suspended and bottom sediment analyses are compared for an area near Williamsport, Pennsylvania. Variations of uranium content of water samples with time in the North Carolina Piedmont are seen to correlate with rainfall. Ground water samples from coastal and piedmont areas were analyzed for helium. All media sampled provide useful information when properly analyzed and interpreted as part of a total geological analysis of an area

  8. Panay carborne radiometric and geochemical surveys

    International Nuclear Information System (INIS)

    Santos, G. Jr.

    1981-09-01

    A carborne radiometric survey and stream sediments collection were conducted in Panay and Guimaras Islands. An area in Nabas, Aklan, situated in the northwestern tip of Panay (Buruanga Peninsula) which indicated 2 to 3 times above background radioactivity was delineated. Uranium content in the stream sediment samples collected from Buruanga Peninsula was generally higher than those obtained in other parts of the island. Radioactivity measurements and uranium content in stream sediments were found to be within background levels. It is recommended that follow-up radiometric and geochemical surveys be undertaken in Buruanga Peninsula and additional stream sediments samples be collected in Panay to achieve better sampling density and coverage. (author)

  9. GENERALISED MODEL BASED CONFIDENCE INTERVALS IN TWO STAGE CLUSTER SAMPLING

    Directory of Open Access Journals (Sweden)

    Christopher Ouma Onyango

    2010-09-01

    Full Text Available Chambers and Dorfman (2002 constructed bootstrap confidence intervals in model based estimation for finite population totals assuming that auxiliary values are available throughout a target population and that the auxiliary values are independent. They also assumed that the cluster sizes are known throughout the target population. We now extend to two stage sampling in which the cluster sizes are known only for the sampled clusters, and we therefore predict the unobserved part of the population total. Jan and Elinor (2008 have done similar work, but unlike them, we use a general model, in which the auxiliary values are not necessarily independent. We demonstrate that the asymptotic properties of our proposed estimator and its coverage rates are better than those constructed under the model assisted local polynomial regression model.

  10. Thermal modeling of core sampling in flammable gas waste tanks. Part 1: Push-mode sampling

    International Nuclear Information System (INIS)

    Unal, C.; Stroh, K.; Pasamehmetoglu, K.O.

    1997-01-01

    The radioactive waste stored in underground storage tanks at Hanford site is routinely being sampled for waste characterization purposes. The push- and rotary-mode core sampling is one of the sampling methods employed. The waste includes mixtures of sodium nitrate and sodium nitrite with organic compounds that can produce violent exothermic reactions if heated above 160 C during core sampling. A self-propagating waste reaction would produce very high temperatures that eventually result in failure of the tank and radioactive material releases to environment. A two-dimensional thermal model based on a lumped finite volume analysis method is developed. The enthalpy of each node is calculated from the first law of thermodynamics. A flash temperature and effective contact area concept were introduced to account the interface temperature rise. No maximum temperature rise exceeding the critical value of 60 C was found in the cases studied for normal operating conditions. Several accident conditions are also examined. In these cases it was found that the maximum drill bit temperature remained below the critical reaction temperature as long as a 30 scfm purge flow is provided the push-mode drill bit during sampling in rotary mode. The failure to provide purge flow resulted in exceeding the limiting temperatures in a relatively short time

  11. Studying uranium migration in natural environment: experimental approach and geochemical modeling; Etude de la migration de l'uranium en milieu naturel: approche experimentale et modelisation geochimique

    Energy Technology Data Exchange (ETDEWEB)

    Phrommavanh, V.

    2008-10-15

    The present study deals with characterizing uranium migration in a limited zone of Le Bouchet site, a former uranium ore treatment facility, which is dismantled and the rehabilitation of which is under process. Some wastes are packed in a rehabilitated disposal nearby, called the Itteville site. In the framework of the monitoring of the deposit environment (air, water, sediment) set by prefectorial decrees, a piezometer (PZPK) located downstream to the latter, has shown total dissolved uranium peaks each winter since the 1990's. PZPK collects both the interstitial water of a calcareous peat formation, between the surface and 3 m, and an alluvial aquifer near 6 m of depth. Firstly, a hydrogeochemical characterization of the site has evidenced the uranium source term, which is present in the peat soil near 0.8 m, hence excluding any leaching from the waste disposal. Actually, a few microparticles of uranium oxide and mixed uranium-thorium oxide have been detected, but they do not represent the major part of the source term. Secondly, water chemistry of the peat soil water and PZPK has been monitored every two months from 2004 to 2007 in order to understand the reasons of the seasonal fluctuations of [U]tot.diss.. Completed with geochemical modeling and a bacterial identification by 16S rDNA sequence analysis, water chemistry data showed an important sulfate-reducing bacterial activity in summertime, leading to reducing conditions and therefore, a total dissolved uranium content limited by the low solubility of uraninite U{sup IV}O{sub 2}(s). In wintertime, the latter bacterial activity being minimal and the effective pluviometry more important, conditions are more oxidant, which favors U(VI), more soluble, notably as the Ca{sub 2}UO{sub 2}(CO{sub 3}){sub 3}(aq) complex, evidenced by TRLFS. Finally, bacterial activity has been reproduced in laboratory in order to better characterize its impact on uranium solubility in the peat soil. Various parameters were tested

  12. Multivariate analysis of ATR-FTIR spectra for assessment of oil shale organic geochemical properties

    Science.gov (United States)

    Washburn, Kathryn E.; Birdwell, Justin E.

    2013-01-01

    In this study, attenuated total reflectance (ATR) Fourier transform infrared spectroscopy (FTIR) was coupled with partial least squares regression (PLSR) analysis to relate spectral data to parameters from total organic carbon (TOC) analysis and programmed pyrolysis to assess the feasibility of developing predictive models to estimate important organic geochemical parameters. The advantage of ATR-FTIR over traditional analytical methods is that source rocks can be analyzed in the laboratory or field in seconds, facilitating more rapid and thorough screening than would be possible using other tools. ATR-FTIR spectra, TOC concentrations and Rock–Eval parameters were measured for a set of oil shales from deposits around the world and several pyrolyzed oil shale samples. PLSR models were developed to predict the measured geochemical parameters from infrared spectra. Application of the resulting models to a set of test spectra excluded from the training set generated accurate predictions of TOC and most Rock–Eval parameters. The critical region of the infrared spectrum for assessing S1, S2, Hydrogen Index and TOC consisted of aliphatic organic moieties (2800–3000 cm−1) and the models generated a better correlation with measured values of TOC and S2 than did integrated aliphatic peak areas. The results suggest that combining ATR-FTIR with PLSR is a reliable approach for estimating useful geochemical parameters of oil shales that is faster and requires less sample preparation than current screening methods.

  13. Statistical sampling and modelling for cork oak and eucalyptus stands

    NARCIS (Netherlands)

    Paulo, M.J.

    2002-01-01

    This thesis focuses on the use of modern statistical methods to solve problems on sampling, optimal cutting time and agricultural modelling in Portuguese cork oak and eucalyptus stands. The results are contained in five chapters that have been submitted for publication

  14. Soybean yield modeling using bootstrap methods for small samples

    Energy Technology Data Exchange (ETDEWEB)

    Dalposso, G.A.; Uribe-Opazo, M.A.; Johann, J.A.

    2016-11-01

    One of the problems that occur when working with regression models is regarding the sample size; once the statistical methods used in inferential analyzes are asymptotic if the sample is small the analysis may be compromised because the estimates will be biased. An alternative is to use the bootstrap methodology, which in its non-parametric version does not need to guess or know the probability distribution that generated the original sample. In this work we used a set of soybean yield data and physical and chemical soil properties formed with fewer samples to determine a multiple linear regression model. Bootstrap methods were used for variable selection, identification of influential points and for determination of confidence intervals of the model parameters. The results showed that the bootstrap methods enabled us to select the physical and chemical soil properties, which were significant in the construction of the soybean yield regression model, construct the confidence intervals of the parameters and identify the points that had great influence on the estimated parameters. (Author)

  15. A binary logistic regression model with complex sampling design of ...

    African Journals Online (AJOL)

    2017-09-03

    Sep 3, 2017 ... Bi-variable and multi-variable binary logistic regression model with complex sampling design was fitted. .... Data was entered into STATA-12 and analyzed using. SPSS-21. .... lack of access/too far or costs too much. 35. 1.2.

  16. Geochemical investigation of UMTRAP designated site at Grand Junction, Colorado

    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 Grand Junction, Colorado. 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 should 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 sampling of waters in two seasons 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 analyzed for the major and trace elements. A limited number of samples were analyzed for radiological components. The report includes the methods of sampling, sample processing, analysis, and data interpretation. Four major conclusions are: (1) trace element concentrations in shallow subsurface waters adjacent to the tailings temporally vary up to an order of magnitude; (2) the riverbank soils and borehole waters are contaminated with uranium, radium, and trace elements from discharge of tailings solids and solutions during the active time of the mill; however, the movement of contaminants toward the Colorado River does not appear to be significant; (3) the Colorado River adjacent to the tailings is not contaminated; and (4) trace metals have accumulated at both the tailings/cover and tailings/soil interface because of precipitation reactions caused by chemical differences between the two materials

  17. Sampling

    CERN Document Server

    Thompson, Steven K

    2012-01-01

    Praise for the Second Edition "This book has never had a competitor. It is the only book that takes a broad approach to sampling . . . any good personal statistics library should include a copy of this book." —Technometrics "Well-written . . . an excellent book on an important subject. Highly recommended." —Choice "An ideal reference for scientific researchers and other professionals who use sampling." —Zentralblatt Math Features new developments in the field combined with all aspects of obtaining, interpreting, and using sample data Sampling provides an up-to-date treat

  18. Mixed Frequency Data Sampling Regression Models: The R Package midasr

    Directory of Open Access Journals (Sweden)

    Eric Ghysels

    2016-08-01

    Full Text Available When modeling economic relationships it is increasingly common to encounter data sampled at different frequencies. We introduce the R package midasr which enables estimating regression models with variables sampled at different frequencies within a MIDAS regression framework put forward in work by Ghysels, Santa-Clara, and Valkanov (2002. In this article we define a general autoregressive MIDAS regression model with multiple variables of different frequencies and show how it can be specified using the familiar R formula interface and estimated using various optimization methods chosen by the researcher. We discuss how to check the validity of the estimated model both in terms of numerical convergence and statistical adequacy of a chosen regression specification, how to perform model selection based on a information criterion, how to assess forecasting accuracy of the MIDAS regression model and how to obtain a forecast aggregation of different MIDAS regression models. We illustrate the capabilities of the package with a simulated MIDAS regression model and give two empirical examples of application of MIDAS regression.

  19. The redshift distribution of cosmological samples: a forward modeling approach

    Energy Technology Data Exchange (ETDEWEB)

    Herbel, Jörg; Kacprzak, Tomasz; Amara, Adam; Refregier, Alexandre; Bruderer, Claudio; Nicola, Andrina, E-mail: joerg.herbel@phys.ethz.ch, E-mail: tomasz.kacprzak@phys.ethz.ch, E-mail: adam.amara@phys.ethz.ch, E-mail: alexandre.refregier@phys.ethz.ch, E-mail: claudio.bruderer@phys.ethz.ch, E-mail: andrina.nicola@phys.ethz.ch [Institute for Astronomy, Department of Physics, ETH Zürich, Wolfgang-Pauli-Strasse 27, 8093 Zürich (Switzerland)

    2017-08-01

    Determining the redshift distribution n ( z ) of galaxy samples is essential for several cosmological probes including weak lensing. For imaging surveys, this is usually done using photometric redshifts estimated on an object-by-object basis. We present a new approach for directly measuring the global n ( z ) of cosmological galaxy samples, including uncertainties, using forward modeling. Our method relies on image simulations produced using \\textsc(UFig) (Ultra Fast Image Generator) and on ABC (Approximate Bayesian Computation) within the MCCL (Monte-Carlo Control Loops) framework. The galaxy population is modeled using parametric forms for the luminosity functions, spectral energy distributions, sizes and radial profiles of both blue and red galaxies. We apply exactly the same analysis to the real data and to the simulated images, which also include instrumental and observational effects. By adjusting the parameters of the simulations, we derive a set of acceptable models that are statistically consistent with the data. We then apply the same cuts to the simulations that were used to construct the target galaxy sample in the real data. The redshifts of the galaxies in the resulting simulated samples yield a set of n ( z ) distributions for the acceptable models. We demonstrate the method by determining n ( z ) for a cosmic shear like galaxy sample from the 4-band Subaru Suprime-Cam data in the COSMOS field. We also complement this imaging data with a spectroscopic calibration sample from the VVDS survey. We compare our resulting posterior n ( z ) distributions to the one derived from photometric redshifts estimated using 36 photometric bands in COSMOS and find good agreement. This offers good prospects for applying our approach to current and future large imaging surveys.

  20. The redshift distribution of cosmological samples: a forward modeling approach

    Science.gov (United States)

    Herbel, Jörg; Kacprzak, Tomasz; Amara, Adam; Refregier, Alexandre; Bruderer, Claudio; Nicola, Andrina

    2017-08-01

    Determining the redshift distribution n(z) of galaxy samples is essential for several cosmological probes including weak lensing. For imaging surveys, this is usually done using photometric redshifts estimated on an object-by-object basis. We present a new approach for directly measuring the global n(z) of cosmological galaxy samples, including uncertainties, using forward modeling. Our method relies on image simulations produced using \\textsc{UFig} (Ultra Fast Image Generator) and on ABC (Approximate Bayesian Computation) within the MCCL (Monte-Carlo Control Loops) framework. The galaxy population is modeled using parametric forms for the luminosity functions, spectral energy distributions, sizes and radial profiles of both blue and red galaxies. We apply exactly the same analysis to the real data and to the simulated images, which also include instrumental and observational effects. By adjusting the parameters of the simulations, we derive a set of acceptable models that are statistically consistent with the data. We then apply the same cuts to the simulations that were used to construct the target galaxy sample in the real data. The redshifts of the galaxies in the resulting simulated samples yield a set of n(z) distributions for the acceptable models. We demonstrate the method by determining n(z) for a cosmic shear like galaxy sample from the 4-band Subaru Suprime-Cam data in the COSMOS field. We also complement this imaging data with a spectroscopic calibration sample from the VVDS survey. We compare our resulting posterior n(z) distributions to the one derived from photometric redshifts estimated using 36 photometric bands in COSMOS and find good agreement. This offers good prospects for applying our approach to current and future large imaging surveys.

  1. The redshift distribution of cosmological samples: a forward modeling approach

    International Nuclear Information System (INIS)

    Herbel, Jörg; Kacprzak, Tomasz; Amara, Adam; Refregier, Alexandre; Bruderer, Claudio; Nicola, Andrina

    2017-01-01

    Determining the redshift distribution n ( z ) of galaxy samples is essential for several cosmological probes including weak lensing. For imaging surveys, this is usually done using photometric redshifts estimated on an object-by-object basis. We present a new approach for directly measuring the global n ( z ) of cosmological galaxy samples, including uncertainties, using forward modeling. Our method relies on image simulations produced using \\textsc(UFig) (Ultra Fast Image Generator) and on ABC (Approximate Bayesian Computation) within the MCCL (Monte-Carlo Control Loops) framework. The galaxy population is modeled using parametric forms for the luminosity functions, spectral energy distributions, sizes and radial profiles of both blue and red galaxies. We apply exactly the same analysis to the real data and to the simulated images, which also include instrumental and observational effects. By adjusting the parameters of the simulations, we derive a set of acceptable models that are statistically consistent with the data. We then apply the same cuts to the simulations that were used to construct the target galaxy sample in the real data. The redshifts of the galaxies in the resulting simulated samples yield a set of n ( z ) distributions for the acceptable models. We demonstrate the method by determining n ( z ) for a cosmic shear like galaxy sample from the 4-band Subaru Suprime-Cam data in the COSMOS field. We also complement this imaging data with a spectroscopic calibration sample from the VVDS survey. We compare our resulting posterior n ( z ) distributions to the one derived from photometric redshifts estimated using 36 photometric bands in COSMOS and find good agreement. This offers good prospects for applying our approach to current and future large imaging surveys.

  2. Sampled-data models for linear and nonlinear systems

    CERN Document Server

    Yuz, Juan I

    2014-01-01

    Sampled-data Models for Linear and Nonlinear Systems provides a fresh new look at a subject with which many researchers may think themselves familiar. Rather than emphasising the differences between sampled-data and continuous-time systems, the authors proceed from the premise that, with modern sampling rates being as high as they are, it is becoming more appropriate to emphasise connections and similarities. The text is driven by three motives: ·      the ubiquity of computers in modern control and signal-processing equipment means that sampling of systems that really evolve continuously is unavoidable; ·      although superficially straightforward, sampling can easily produce erroneous results when not treated properly; and ·      the need for a thorough understanding of many aspects of sampling among researchers and engineers dealing with applications to which they are central. The authors tackle many misconceptions which, although appearing reasonable at first sight, are in fact either p...

  3. The genealogy of samples in models with selection.

    Science.gov (United States)

    Neuhauser, C; Krone, S M

    1997-02-01

    We introduce the genealogy of a random sample of genes taken from a large haploid population that evolves according to random reproduction with selection and mutation. Without selection, the genealogy is described by Kingman's well-known coalescent process. In the selective case, the genealogy of the sample is embedded in a graph with a coalescing and branching structure. We describe this graph, called the ancestral selection graph, and point out differences and similarities with Kingman's coalescent. We present simulations for a two-allele model with symmetric mutation in which one of the alleles has a selective advantage over the other. We find that when the allele frequencies in the population are already in equilibrium, then the genealogy does not differ much from the neutral case. This is supported by rigorous results. Furthermore, we describe the ancestral selection graph for other selective models with finitely many selection classes, such as the K-allele models, infinitely-many-alleles models. DNA sequence models, and infinitely-many-sites models, and briefly discuss the diploid case.

  4. CONSISTENCY UNDER SAMPLING OF EXPONENTIAL RANDOM GRAPH MODELS.

    Science.gov (United States)

    Shalizi, Cosma Rohilla; Rinaldo, Alessandro

    2013-04-01

    The growing availability of network data and of scientific interest in distributed systems has led to the rapid development of statistical models of network structure. Typically, however, these are models for the entire network, while the data consists only of a sampled sub-network. Parameters for the whole network, which is what is of interest, are estimated by applying the model to the sub-network. This assumes that the model is consistent under sampling , or, in terms of the theory of stochastic processes, that it defines a projective family. Focusing on the popular class of exponential random graph models (ERGMs), we show that this apparently trivial condition is in fact violated by many popular and scientifically appealing models, and that satisfying it drastically limits ERGM's expressive power. These results are actually special cases of more general results about exponential families of dependent random variables, which we also prove. Using such results, we offer easily checked conditions for the consistency of maximum likelihood estimation in ERGMs, and discuss some possible constructive responses.

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

    Science.gov (United States)

    Chaffee, Maurice A.

    1975-01-01

    Geochemical exploration is an important part of copper-resource evaluation. A large number of geochemical exploration techniques, both proved and untried, are available to the geochemist to use in the search for new copper deposits. Analyses of whole-rock samples have been used in both regional and local geochemical exploration surveys in the search for copper. Analyses of mineral separates, such as biotite, magnetite, and sulfides, have also been used. Analyses of soil samples are widely used in geochemical exploration, especially for localized surveys. It is important to distinguish between residual and transported soil types. Orientation studies should always be conducted prior to a geochemical investigation in a given area in order to determine the best soil horizon and the best size of soil material for sampling in that area. Silty frost boils, caliche, and desert varnish are specialized types of soil samples that might be useful sampling media. Soil gas is a new and potentially valuable geochemical sampling medium, especially in exploring for buried mineral deposits in arid regions. Gaseous products in samples of soil may be related to base-metal deposits and include mercury vapor, sulfur dioxide, hydrogen sulfide, carbon oxysulfide, carbon dioxide, hydrogen, oxygen, nitrogen, the noble gases, the halogens, and many hydrocarbon compounds. Transported materials that have been used in geochemical sampling programs include glacial float boulders, glacial till, esker gravels, stream sediments, stream-sediment concentrates, and lake sediments. Stream-sediment sampling is probably the most widely used and most successful geochemical exploration technique. Hydrogeochemical exploration programs have utilized hot- and cold-spring waters and their precipitates as well as waters from lakes, streams, and wells. Organic gel found in lakes and at stream mouths is an unproved sampling medium. Suspended material and dissolved gases in any type of water may also be useful

  6. 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

  7. A sample application of nuclear power human resources model

    International Nuclear Information System (INIS)

    Gurgen, A.; Ergun, S.

    2016-01-01

    One of the most important issues for a new comer country initializing the nuclear power plant projects is to have both quantitative and qualitative models for the human resources development. For the quantitative model of human resources development for Turkey, “Nuclear Power Human Resources (NPHR) Model” developed by the Los Alamos National Laboratory was used to determine the number of people that will be required from different professional or occupational fields in the planning of human resources for Akkuyu, Sinop and the third nuclear power plant projects. The number of people required for different professions for the Nuclear Energy Project Implementation Department, the regulatory authority, project companies, construction, nuclear power plants and the academy were calculated. In this study, a sample application of the human resources model is presented. The results of the first tries to calculate the human resources needs of Turkey were obtained. Keywords: Human Resources Development, New Comer Country, NPHR Model

  8. Sampling from stochastic reservoir models constrained by production data

    Energy Technology Data Exchange (ETDEWEB)

    Hegstad, Bjoern Kaare

    1997-12-31

    When a petroleum reservoir is evaluated, it is important to forecast future production of oil and gas and to assess forecast uncertainty. This is done by defining a stochastic model for the reservoir characteristics, generating realizations from this model and applying a fluid flow simulator to the realizations. The reservoir characteristics define the geometry of the reservoir, initial saturation, petrophysical properties etc. This thesis discusses how to generate realizations constrained by production data, that is to say, the realizations should reproduce the observed production history of the petroleum reservoir within the uncertainty of these data. The topics discussed are: (1) Theoretical framework, (2) History matching, forecasting and forecasting uncertainty, (3) A three-dimensional test case, (4) Modelling transmissibility multipliers by Markov random fields, (5) Up scaling, (6) The link between model parameters, well observations and production history in a simple test case, (7) Sampling the posterior using optimization in a hierarchical model, (8) A comparison of Rejection Sampling and Metropolis-Hastings algorithm, (9) Stochastic simulation and conditioning by annealing in reservoir description, and (10) Uncertainty assessment in history matching and forecasting. 139 refs., 85 figs., 1 tab.

  9. Collected radiochemical and geochemical procedures

    Energy Technology Data Exchange (ETDEWEB)

    Kleinberg, J [comp.

    1990-05-01

    This revision of LA-1721, 4th Ed., Collected Radiochemical Procedures, reflects the activities of two groups in the Isotope and Nuclear Chemistry Division of the Los Alamos National Laboratory: INC-11, Nuclear and radiochemistry; and INC-7, Isotope Geochemistry. The procedures fall into five categories: I. Separation of Radionuclides from Uranium, Fission-Product Solutions, and Nuclear Debris; II. Separation of Products from Irradiated Targets; III. Preparation of Samples for Mass Spectrometric Analysis; IV. Dissolution Procedures; and V. Geochemical Procedures. With one exception, the first category of procedures is ordered by the positions of the elements in the Periodic Table, with separate parts on the Representative Elements (the A groups); the d-Transition Elements (the B groups and the Transition Triads); and the Lanthanides (Rare Earths) and Actinides (the 4f- and 5f-Transition Elements). The members of Group IIIB-- scandium, yttrium, and lanthanum--are included with the lanthanides, elements they resemble closely in chemistry and with which they occur in nature. The procedures dealing with the isolation of products from irradiated targets are arranged by target element.

  10. 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

  11. 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)

  12. Growth rates and geochemical proxies in Late Campanian bivalves - New insights from micro-X-ray Fluorescence mapping and numerical growth modelling

    Science.gov (United States)

    de Winter, Niels; Goderis, Steven; van Malderen, Stijn; Vanhaecke, Frank; Claeys, Philippe

    2017-04-01

    surfaces is combined with high-precision point measurements and linescans to characterize different carbonate facies within the shell and to model changes in proxy data in three dimensions. Comparison of sub-annual variations in growth rate and shell geometry with proxy data sheds light on the degree to which observed seasonal variations in geochemical proxies are dependent on internal mechanisms of shell growth as opposed to external mechanisms such as climatic and environmental change. The use of three different species of bivalve from the same paleoenvironment allows the examination of species-specific responses to environmental change. This study attempts to determine which proxies in which species of bivalve are suitable for paleoenvironmental reconstruction and will aid future paleoseasonality studies in interpreting seasonally resolved multi-proxy records. References 1 DeConto R.M., et al. Cambridge University Press; 2000. 2 Elliot M, et al., PPP 2009. 3 Steuber T. Geology. 1996. 4 R core team, 2004, www.R-project.org

  13. Sorption models and their application in environmental samples

    International Nuclear Information System (INIS)

    Kamel, Nariman H.M.

    2008-01-01

    Full text: Naturally occurring radioactive materials (NORM) were found in some environmental soils not high enough to pose problems for human health. The health may be affected by increasing of NORM at some environmental soils. Four soil samples obtained from certain coastal regions in Egypt. Naturally occurring radioactive materials (NORM) of the uranium ( 238 U) series, thorium ( 232 Th) series and the radioactive isotope of potassium ( 40 K) were measured. The soil samples were selected from the situations where the radionuclide concentrations are significantly higher than the average level of other sites. It were chemically analyzed for the uranium, silicon aluminum and iron. The cation exchange capacity (CEC) were determined, it was found lower in the presence of Fe-silicates suggested that Fe-hydroxide had precipitin at the exchangeable edge sites of the clay minerals. The pH of the solid particles at which the net total surface charge is zero was known as the point of zero charge (PZC). The PZC is very important in determining the affinity of the soil samples for different cations and anions. The aim of this work is to determine the natural radiological hazardous of radionuclide at four environmental coastal soil samples in Egypt. The point of zero surface charge was determined using titration tests. Sorption model was developed for this purpose. (author)

  14. Modeling and Simulation of a Tethered Harpoon for Comet Sampling

    Science.gov (United States)

    Quadrelli, Marco B.

    2014-01-01

    This paper describes the development of a dynamic model and simulation results of a tethered harpoon for comet sampling. This model and simulation was done in order to carry out an initial sensitivity analysis for key design parameters of the tethered system. The harpoon would contain a canister which would collect a sample of soil from a cometary surface. Both a spring ejected canister and a tethered canister are considered. To arrive in close proximity of the spacecraft at the end of its trajectory so it could be captured, the free-flying canister would need to be ejected at the right time and with the proper impulse, while the tethered canister must be recovered by properly retrieving the tether at a rate that would avoid an excessive amplitude of oscillatory behavior during the retrieval. The paper describes the model of the tether dynamics and harpoon penetration physics. The simulations indicate that, without the tether, the canister would still reach the spacecraft for collection, that the tether retrieval of the canister would be achievable with reasonable fuel consumption, and that the canister amplitude upon retrieval would be insensitive to variations in vertical velocity dispersion.

  15. Comparing interval estimates for small sample ordinal CFA models.

    Science.gov (United States)

    Natesan, Prathiba

    2015-01-01

    Robust maximum likelihood (RML) and asymptotically generalized least squares (AGLS) methods have been recommended for fitting ordinal structural equation models. Studies show that some of these methods underestimate standard errors. However, these studies have not investigated the coverage and bias of interval estimates. An estimate with a reasonable standard error could still be severely biased. This can only be known by systematically investigating the interval estimates. The present study compares Bayesian, RML, and AGLS interval estimates of factor correlations in ordinal confirmatory factor analysis models (CFA) for small sample data. Six sample sizes, 3 factor correlations, and 2 factor score distributions (multivariate normal and multivariate mildly skewed) were studied. Two Bayesian prior specifications, informative and relatively less informative were studied. Undercoverage of confidence intervals and underestimation of standard errors was common in non-Bayesian methods. Underestimated standard errors may lead to inflated Type-I error rates. Non-Bayesian intervals were more positive biased than negatively biased, that is, most intervals that did not contain the true value were greater than the true value. Some non-Bayesian methods had non-converging and inadmissible solutions for small samples and non-normal data. Bayesian empirical standard error estimates for informative and relatively less informative priors were closer to the average standard errors of the estimates. The coverage of Bayesian credibility intervals was closer to what was expected with overcoverage in a few cases. Although some Bayesian credibility intervals were wider, they reflected the nature of statistical uncertainty that comes with the data (e.g., small sample). Bayesian point estimates were also more accurate than non-Bayesian estimates. The results illustrate the importance of analyzing coverage and bias of interval estimates, and how ignoring interval estimates can be misleading

  16. Correcting Model Fit Criteria for Small Sample Latent Growth Models with Incomplete Data

    Science.gov (United States)

    McNeish, Daniel; Harring, Jeffrey R.

    2017-01-01

    To date, small sample problems with latent growth models (LGMs) have not received the amount of attention in the literature as related mixed-effect models (MEMs). Although many models can be interchangeably framed as a LGM or a MEM, LGMs uniquely provide criteria to assess global data-model fit. However, previous studies have demonstrated poor…

  17. 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

  18. Martian Radiative Transfer Modeling Using the Optimal Spectral Sampling Method

    Science.gov (United States)

    Eluszkiewicz, J.; Cady-Pereira, K.; Uymin, G.; Moncet, J.-L.

    2005-01-01

    The large volume of existing and planned infrared observations of Mars have prompted the development of a new martian radiative transfer model that could be used in the retrievals of atmospheric and surface properties. The model is based on the Optimal Spectral Sampling (OSS) method [1]. The method is a fast and accurate monochromatic technique applicable to a wide range of remote sensing platforms (from microwave to UV) and was originally developed for the real-time processing of infrared and microwave data acquired by instruments aboard the satellites forming part of the next-generation global weather satellite system NPOESS (National Polarorbiting Operational Satellite System) [2]. As part of our on-going research related to the radiative properties of the martian polar caps, we have begun the development of a martian OSS model with the goal of using it to perform self-consistent atmospheric corrections necessary to retrieve caps emissivity from the Thermal Emission Spectrometer (TES) spectra. While the caps will provide the initial focus area for applying the new model, it is hoped that the model will be of interest to the wider Mars remote sensing community.

  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. Thermal modeling of core sampling in flammable gas waste tanks. Part 2: Rotary-mode sampling

    International Nuclear Information System (INIS)

    Unal, C.; Poston, D.; Pasamehmetoglu, K.O.; Witwer, K.S.

    1997-01-01

    The radioactive waste stored in underground storage tanks at Hanford site includes mixtures of sodium nitrate and sodium nitrite with organic compounds. The waste can produce undesired violent exothermic reactions when heated locally during the rotary-mode sampling. Experiments are performed varying the downward force at a maximum rotational speed of 55 rpm and minimum nitrogen purge flow of 30 scfm. The rotary drill bit teeth-face temperatures are measured. The waste is simulated with a low thermal conductivity hard material, pumice blocks. A torque meter is used to determine the energy provided to the drill string. The exhaust air-chip temperature as well as drill string and drill bit temperatures and other key operating parameters were recorded. A two-dimensional thermal model is developed. The safe operating conditions were determined for normal operating conditions. A downward force of 750 at 55 rpm and 30 scfm nitrogen purge flow was found to yield acceptable substrate temperatures. The model predicted experimental results reasonably well. Therefore, it could be used to simulate abnormal conditions to develop procedures for safe operations

  1. 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.

  2. 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

  3. DNA-based methods of geochemical prospecting

    Energy Technology Data Exchange (ETDEWEB)

    Ashby, Matthew [Mill Valley, CA

    2011-12-06

    The present invention relates to methods for performing surveys of the genetic diversity of a population. The invention also relates to methods for performing genetic analyses of a population. The invention further relates to methods for the creation of databases comprising the survey information and the databases created by these methods. The invention also relates to methods for analyzing the information to correlate the presence of nucleic acid markers with desired parameters in a sample. These methods have application in the fields of geochemical exploration, agriculture, bioremediation, environmental analysis, clinical microbiology, forensic science and medicine.

  4. 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

  5. Application of a free parameter model to plastic scintillation samples

    Energy Technology Data Exchange (ETDEWEB)

    Tarancon Sanz, Alex, E-mail: alex.tarancon@ub.edu [Departament de Quimica Analitica, Universitat de Barcelona, Diagonal 647, E-08028 Barcelona (Spain); Kossert, Karsten, E-mail: Karsten.Kossert@ptb.de [Physikalisch-Technische Bundesanstalt (PTB), Bundesallee 100, 38116 Braunschweig (Germany)

    2011-08-21

    In liquid scintillation (LS) counting, the CIEMAT/NIST efficiency tracing method and the triple-to-double coincidence ratio (TDCR) method have proved their worth for reliable activity measurements of a number of radionuclides. In this paper, an extended approach to apply a free-parameter model to samples containing a mixture of solid plastic scintillation microspheres and radioactive aqueous solutions is presented. Several beta-emitting radionuclides were measured in a TDCR system at PTB. For the application of the free parameter model, the energy loss in the aqueous phase must be taken into account, since this portion of the particle energy does not contribute to the creation of scintillation light. The energy deposit in the aqueous phase is determined by means of Monte Carlo calculations applying the PENELOPE software package. To this end, great efforts were made to model the geometry of the samples. Finally, a new geometry parameter was defined, which was determined by means of a tracer radionuclide with known activity. This makes the analysis of experimental TDCR data of other radionuclides possible. The deviations between the determined activity concentrations and reference values were found to be lower than 3%. The outcome of this research work is also important for a better understanding of liquid scintillation counting. In particular the influence of (inverse) micelles, i.e. the aqueous spaces embedded in the organic scintillation cocktail, can be investigated. The new approach makes clear that it is important to take the energy loss in the aqueous phase into account. In particular for radionuclides emitting low-energy electrons (e.g. M-Auger electrons from {sup 125}I), this effect can be very important.

  6. Research on the hydrogeological and geochemical conditions at the coastal area and submarine formations

    International Nuclear Information System (INIS)

    Tokunaga, Tomochika; Taniguchi, Makoto; Goto, Junji

    2003-05-01

    One of the major concerns for the high-level radioactive waste disposal is the possibility of the radionuclides to reach biosphere by groundwater flow. Recent research results have shown that the fresh groundwater discharge from subsea formations are widespread phenomena, thus, it is necessary to evaluate the submarine groundwater discharge as possible pathways of contaminant discharge towards the biosphere. It is also important to unravel the groundwater flow and associated material transport at the coastal area and subsea formations. To better understand the groundwater flow processes and the submarine groundwater discharge, we have conducted the hydrological, hydrogeological, geochemical, and numerical modeling studies at the Kurobe alluvial fan and its offshore, Toyama Prefecture, Japan. In this report, the results of the following research activities are presented: 1) Development and application of a method to detect the locations of the submarine groundwater discharge. 2) Development and application of a method to collect uncontaminated groundwater samples from subsea formations. 3) Measurements of submarine groundwater discharge fluxes by automated seepage meter. 4) Hydrological and geochemical studies for groundwater flow at the coastal area. 5) Geochemical studies to understand sources of fresh submarine groundwater discharge. 6) Examination of groundwater flow and submarine groundwater discharge using methane concentration and carbon isotope ratio. 7) Numerical modeling studies for coastal groundwater flow system. (author)

  7. ACTINIDE REMOVAL PROCESS SAMPLE ANALYSIS, CHEMICAL MODELING, AND FILTRATION EVALUATION

    Energy Technology Data Exchange (ETDEWEB)

    Martino, C.; Herman, D.; Pike, J.; Peters, T.

    2014-06-05

    Filtration within the Actinide Removal Process (ARP) currently limits the throughput in interim salt processing at the Savannah River Site. In this process, batches of salt solution with Monosodium Titanate (MST) sorbent are concentrated by crossflow filtration. The filtrate is subsequently processed to remove cesium in the Modular Caustic Side Solvent Extraction Unit (MCU) followed by disposal in saltstone grout. The concentrated MST slurry is washed and sent to the Defense Waste Processing Facility (DWPF) for vitrification. During recent ARP processing, there has been a degradation of filter performance manifested as the inability to maintain high filtrate flux throughout a multi-batch cycle. The objectives of this effort were to characterize the feed streams, to determine if solids (in addition to MST) are precipitating and causing the degraded performance of the filters, and to assess the particle size and rheological data to address potential filtration impacts. Equilibrium modelling with OLI Analyzer{sup TM} and OLI ESP{sup TM} was performed to determine chemical components at risk of precipitation and to simulate the ARP process. The performance of ARP filtration was evaluated to review potential causes of the observed filter behavior. Task activities for this study included extensive physical and chemical analysis of samples from the Late Wash Pump Tank (LWPT) and the Late Wash Hold Tank (LWHT) within ARP as well as samples of the tank farm feed from Tank 49H. The samples from the LWPT and LWHT were obtained from several stages of processing of Salt Batch 6D, Cycle 6, Batch 16.

  8. Modelling microwave heating of discrete samples of oil palm kernels

    International Nuclear Information System (INIS)

    Law, M.C.; Liew, E.L.; Chang, S.L.; Chan, Y.S.; Leo, C.P.

    2016-01-01

    Highlights: • Microwave (MW) drying of oil palm kernels is experimentally determined and modelled. • MW heating of discrete samples of oil palm kernels (OPKs) is simulated. • OPK heating is due to contact effect, MW interference and heat transfer mechanisms. • Electric field vectors circulate within OPKs sample. • Loosely-packed arrangement improves temperature uniformity of OPKs. - Abstract: Recently, microwave (MW) pre-treatment of fresh palm fruits has showed to be environmentally friendly compared to the existing oil palm milling process as it eliminates the condensate production of palm oil mill effluent (POME) in the sterilization process. Moreover, MW-treated oil palm fruits (OPF) also possess better oil quality. In this work, the MW drying kinetic of the oil palm kernels (OPK) was determined experimentally. Microwave heating/drying of oil palm kernels was modelled and validated. The simulation results show that temperature of an OPK is not the same over the entire surface due to constructive and destructive interferences of MW irradiance. The volume-averaged temperature of an OPK is higher than its surface temperature by 3–7 °C, depending on the MW input power. This implies that point measurement of temperature reading is inadequate to determine the temperature history of the OPK during the microwave heating process. The simulation results also show that arrangement of OPKs in a MW cavity affects the kernel temperature profile. The heating of OPKs were identified to be affected by factors such as local electric field intensity due to MW absorption, refraction, interference, the contact effect between kernels and also heat transfer mechanisms. The thermal gradient patterns of OPKs change as the heating continues. The cracking of OPKs is expected to occur first in the core of the kernel and then it propagates to the kernel surface. The model indicates that drying of OPKs is a much slower process compared to its MW heating. The model is useful

  9. Reactive Geochemical Transport Modeling of Concentrated AqueousSolutions: Supplement to TOUGHREACT User's Guide for the PitzerIon-Interaction Model

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Guoxiang; Spycher, Nicolas; Xu, Tianfu; Sonnenthal, Eric; Steefel , Carl

    2006-12-15

    In this report, we present: -- The Pitzer ion-interactiontheory and models -- Input file requirements for using the TOUGHREACTPitzer ion-interaction model and associated databases -- Run-time errormessages -- Verification test cases and application examples. For themain code structure, features, overall solution methods, description ofinput/output files for parameters other than those specific to theimplemented Pitzer model, and error messages, see the TOUGHREACT User'sGuide (Xu et al., 2005). The TOUGHREACT Pitzer version runs on aDEC-alpha architecture CPU, under OSF1 V5.1, with Compaq Digital FortranCompiler. The compiler run-time libraries are required for execution aswell as compilation. The code also runs on Intel Pentium IV andhigher-version CPU-based machines with Compaq Visual Fortran Compiler orIntel Fortran Compiler (integrated with the Microsoft DevelopmentEnvironment). The minimum hardware configuration should include 1 GB RAMand 1 GB (2 GB recommended) of available disk space.

  10. Geochemical Characterization of the Upper and Middle Floridan Aquifer System, South Florida

    Science.gov (United States)

    Mirecki, J.; Richardson, E.; Bennett, M.; Hendel, J.

    2008-05-01

    Our study focus is to characterize the water quality and geochemical environment of the Floridan Aquifer System (FAS) throughout the regional flowpath. A synoptic survey of 21 wells (n=15, upper FAS; n=6 middle FAS) was supplemented by additional samples (n=11) obtained during exploratory well development at 4 aquifer storage recovery (ASR) pilot sites. Synoptic survey samples were analyzed intensively, yielding a dataset that consists of major and trace dissolved constituents (including metals), stable isotopes (δ18O, δ13C, δD, δ34S in sulfate and sulfide), carbon species (carbonate alkalinity and organic carbon), uranium-series radionuclides, nutrients, and selected microbes and pathogens. The objectives of this study are three-fold: 1) to provide baseline water-quality and geochemical information prior to initiation of ASR activities that are part of the Comprehensive Everglades Restoration Plan; 2) to quantify the major controls on geochemical evolution along upper and middle FAS flowpaths using geochemical modeling methods; and 3) to identify areas where water- quality may limit the feasibility of ASR methods in the FAS. Preliminary interpretations water quality changes along the regional FAS flowpath can be summarized as follows. Concentrations of dissolved constituents increase from north to south along the flow path; generally, the upper FAS has lower total dissolved solids than the middle FAS at locations where well pairs were analyzed. The redox environment changes from oxic to strongly anoxic, very close to the recharge area. Redox measurements, dissolved iron, sulfide, and sulfur isotope data are consistent with sulfate-reducing conditions. Uranium-series isotope concentrations and activities generally are below regulatory criteria, with few exceptions in both the upper and middle FAS. Areas with greater radionuclide activity occur primarily at distal flowpath locations or at the coast.

  11. Reduced-Order Model for the Geochemical Impacts of Carbon Dioxide, Brine and Trace Metal Leakage into an Unconfined, Oxidizing Carbonate Aquifer, Version 2.1

    Energy Technology Data Exchange (ETDEWEB)

    Bacon, Diana H.

    2013-03-31

    The National Risk Assessment Partnership (NRAP) consists of 5 U.S DOE national laboratories collaborating to develop a framework for predicting the risks associated with carbon sequestration. The approach taken by NRAP is to divide the system into components, including injection target reservoirs, wellbores, natural pathways including faults and fractures, groundwater and the atmosphere. Next, develop a detailed, physics and chemistry-based model of each component. Using the results of the detailed models, develop efficient, simplified models, termed reduced order models (ROM) for each component. Finally, integrate the component ROMs into a system model that calculates risk profiles for the site. This report details the development of the Groundwater Geochemistry ROM for the Edwards Aquifer at PNNL. The Groundwater Geochemistry ROM for the Edwards Aquifer uses a Wellbore Leakage ROM developed at LANL as input. The detailed model, using the STOMP simulator, covers a 5x8 km area of the Edwards Aquifer near San Antonio, Texas. The model includes heterogeneous hydraulic properties, and equilibrium, kinetic and sorption reactions between groundwater, leaked CO2 gas, brine, and the aquifer carbonate and clay minerals. Latin Hypercube sampling was used to generate 1024 samples of input parameters. For each of these input samples, the STOMP simulator was used to predict the flux of CO2 to the atmosphere, and the volume, length and width of the aquifer where pH was less than the MCL standard, and TDS, arsenic, cadmium and lead exceeded MCL standards. In order to decouple the Wellbore Leakage ROM from the Groundwater Geochemistry ROM, the response surface was transformed to replace Wellbore Leakage ROM input parameters with instantaneous and cumulative CO2 and brine leakage rates. The most sensitive parameters proved to be the CO2 and brine leakage rates from the well, with equilibrium coefficients for calcite and dolomite, as well as the number of illite and kaolinite

  12. Determining metal origins and availability in fluvial deposits by analysis of geochemical baselines and solid-solution partitioning measurements and modelling.

    Science.gov (United States)

    Vijver, Martina G; Spijker, Job; Vink, Jos P M; Posthuma, Leo

    2008-12-01

    Metals in floodplain soils and sediments (deposits) can originate from lithogenic and anthropogenic sources, and their availability for uptake in biota is hypothesized to depend on both origin and local sediment conditions. In criteria-based environmental risk assessments, these issues are often neglected, implying local risks to be often over-estimated. Current problem definitions in river basin management tend to require a refined, site-specific focus, resulting in a need to address both aspects. This paper focuses on the determination of local environmental availabilities of metals in fluvial deposits by addressing both the origins of the metals and their partitioning over the solid and solution phases. The environmental availability of metals is assumed to be a key force influencing exposure levels in field soils and sediments. Anthropogenic enrichments of Cu, Zn and Pb in top layers could be distinguished from lithogenic background concentrations and described using an aluminium-proxy. Cd in top layers was attributed to anthropogenic enrichment almost fully. Anthropogenic enrichments for Cu and Zn appeared further to be also represented by cold 2M HNO3 extraction of site samples. For Pb the extractions over-estimated the enrichments. Metal partitioning was measured, and measurements were compared to predictions generated by an empirical regression model and by a mechanistic-kinetic model. The partitioning models predicted metal partitioning in floodplain deposits within about one order of magnitude, though a large inter-sample variability was found for Pb.

  13. 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.

  14. 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...

  15. Hybrid nested sampling algorithm for Bayesian model selection applied to inverse subsurface flow problems

    KAUST Repository

    Elsheikh, Ahmed H.; Wheeler, Mary Fanett; Hoteit, Ibrahim

    2014-01-01

    A Hybrid Nested Sampling (HNS) algorithm is proposed for efficient Bayesian model calibration and prior model selection. The proposed algorithm combines, Nested Sampling (NS) algorithm, Hybrid Monte Carlo (HMC) sampling and gradient estimation using

  16. Using geochemical indicators to distinguish high biogeochemical activity in floodplain soils and sediments

    Energy Technology Data Exchange (ETDEWEB)

    Kenwell, Amy [Hydrologic Sciences and Engineering Program, Colorado School of Mines, 1500 Illinois St., Golden, CO 80401 (United States); Navarre-Sitchler, Alexis, E-mail: asitchle@mines.edu [Hydrologic Sciences and Engineering Program, Colorado School of Mines, 1500 Illinois St., Golden, CO 80401 (United States); Prugue, Rodrigo [Hydrologic Sciences and Engineering Program, Colorado School of Mines, 1500 Illinois St., Golden, CO 80401 (United States); Spear, John R. [Department of Civil and Environmental Engineering, Colorado School of Mines, 1500 Illinois St., Golden, CO 80401 (United States); Hering, Amanda S. [Department of Applied Mathematics and Statistics, Colorado School of Mines, 1500 Illinois St., Golden, CO 80401 (United States); Maxwell, Reed M. [Hydrologic Sciences and Engineering Program, Colorado School of Mines, 1500 Illinois St., Golden, CO 80401 (United States); Carroll, Rosemary W.H. [Desert Research Institute, Division of Hydrologic Sciences, 2215 Raggio Parkway, Reno, NV 89512 (United States); Williams, Kenneth H. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States)

    2016-09-01

    A better understanding of how microbial communities interact with their surroundings in physically and chemically heterogeneous subsurface environments will lead to improved quantification of biogeochemical reactions and associated nutrient cycling. This study develops a methodology to predict potential elevated rates of biogeochemical activity (microbial “hotspots”) in subsurface environments by correlating microbial DNA and aspects of the community structure with the spatial distribution of geochemical indicators in subsurface sediments. Multiple linear regression models of simulated precipitation leachate, HCl and hydroxylamine extractable iron and manganese, total organic carbon (TOC), and microbial community structure were used to identify sample characteristics indicative of biogeochemical hotspots within fluvially-derived aquifer sediments and overlying soils. The method has been applied to (a) alluvial materials collected at a former uranium mill site near Rifle, Colorado and (b) relatively undisturbed floodplain deposits (soils and sediments) collected along the East River near Crested Butte, Colorado. At Rifle, 16 alluvial samples were taken from 8 sediment cores, and at the East River, 46 soil/sediment samples were collected across and perpendicular to 3 active meanders and an oxbow meander. Regression models using TOC and TOC combined with extractable iron and manganese results were determined to be the best fitting statistical models of microbial DNA (via 16S rRNA gene analysis). Fitting these models to observations in both contaminated and natural floodplain deposits, and their associated alluvial aquifers, demonstrates the broad applicability of the geochemical indicator based approach. - Highlights: • Biogeochemical characterization of alluvial floodplain soils and sediments was performed to investigate parameters that may indicate microbial hot spot formation. • A correlation between geochemical parameters (total organic carbon and

  17. Using geochemical indicators to distinguish high biogeochemical activity in floodplain soils and sediments

    International Nuclear Information System (INIS)

    Kenwell, Amy; Navarre-Sitchler, Alexis; Prugue, Rodrigo; Spear, John R.; Hering, Amanda S.; Maxwell, Reed M.; Carroll, Rosemary W.H.; Williams, Kenneth H.

    2016-01-01

    A better understanding of how microbial communities interact with their surroundings in physically and chemically heterogeneous subsurface environments will lead to improved quantification of biogeochemical reactions and associated nutrient cycling. This study develops a methodology to predict potential elevated rates of biogeochemical activity (microbial “hotspots”) in subsurface environments by correlating microbial DNA and aspects of the community structure with the spatial distribution of geochemical indicators in subsurface sediments. Multiple linear regression models of simulated precipitation leachate, HCl and hydroxylamine extractable iron and manganese, total organic carbon (TOC), and microbial community structure were used to identify sample characteristics indicative of biogeochemical hotspots within fluvially-derived aquifer sediments and overlying soils. The method has been applied to (a) alluvial materials collected at a former uranium mill site near Rifle, Colorado and (b) relatively undisturbed floodplain deposits (soils and sediments) collected along the East River near Crested Butte, Colorado. At Rifle, 16 alluvial samples were taken from 8 sediment cores, and at the East River, 46 soil/sediment samples were collected across and perpendicular to 3 active meanders and an oxbow meander. Regression models using TOC and TOC combined with extractable iron and manganese results were determined to be the best fitting statistical models of microbial DNA (via 16S rRNA gene analysis). Fitting these models to observations in both contaminated and natural floodplain deposits, and their associated alluvial aquifers, demonstrates the broad applicability of the geochemical indicator based approach. - Highlights: • Biogeochemical characterization of alluvial floodplain soils and sediments was performed to investigate parameters that may indicate microbial hot spot formation. • A correlation between geochemical parameters (total organic carbon and

  18. 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

  19. 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

  20. Greedy Sampling and Incremental Surrogate Model-Based Tailoring of Aeroservoelastic Model Database for Flexible Aircraft

    Science.gov (United States)

    Wang, Yi; Pant, Kapil; Brenner, Martin J.; Ouellette, Jeffrey A.

    2018-01-01

    This paper presents a data analysis and modeling framework to tailor and develop linear parameter-varying (LPV) aeroservoelastic (ASE) model database for flexible aircrafts in broad 2D flight parameter space. The Kriging surrogate model is constructed using ASE models at a fraction of grid points within the original model database, and then the ASE model at any flight condition can be obtained simply through surrogate model interpolation. The greedy sampling algorithm is developed to select the next sample point that carries the worst relative error between the surrogate model prediction and the benchmark model in the frequency domain among all input-output channels. The process is iterated to incrementally improve surrogate model accuracy till a pre-determined tolerance or iteration budget is met. The methodology is applied to the ASE model database of a flexible aircraft currently being tested at NASA/AFRC for flutter suppression and gust load alleviation. Our studies indicate that the proposed method can reduce the number of models in the original database by 67%. Even so the ASE models obtained through Kriging interpolation match the model in the original database constructed directly from the physics-based tool with the worst relative error far below 1%. The interpolated ASE model exhibits continuously-varying gains along a set of prescribed flight conditions. More importantly, the selected grid points are distributed non-uniformly in the parameter space, a) capturing the distinctly different dynamic behavior and its dependence on flight parameters, and b) reiterating the need and utility for adaptive space sampling techniques for ASE model database compaction. The present framework is directly extendible to high-dimensional flight parameter space, and can be used to guide the ASE model development, model order reduction, robust control synthesis and novel vehicle design of flexible aircraft.

  1. Geochemical wolframite fingerprinting - the likelihood ratio approach for laser ablation ICP-MS data.

    Science.gov (United States)

    Martyna, Agnieszka; Gäbler, Hans-Eike; Bahr, Andreas; Zadora, Grzegorz

    2018-05-01

    Wolframite has been specified as a 'conflict mineral' by a U.S. Government Act, which obliges companies that use these minerals to report their origin. Minerals originating from conflict regions in the Democratic Republic of the Congo shall be excluded from the market as their illegal mining, trading, and taxation are supposed to fuel ongoing violent conflicts. The German Federal Institute for Geosciences and Natural Resources (BGR) developed a geochemical fingerprinting method for wolframite based on laser ablation inductively coupled plasma-mass spectrometry. Concentrations of 46 elements in about 5300 wolframite grains from 64 mines were determined. The issue of verifying the declared origins of the wolframite samples may be framed as a forensic problem by considering two contrasting hypotheses: the examined sample and a sample collected from the declared mine originate from the same mine (H 1 ), and the two samples come from different mines (H 2 ). The solution is found using the likelihood ratio (LR) theory. On account of the multidimensionality, the lack of normal distribution of data within each sample, and the huge within-sample dispersion in relation to the dispersion between samples, the classic LR models had to be modified. Robust principal component analysis and linear discriminant analysis were used to characterize samples. The similarity of two samples was expressed by Kolmogorov-Smirnov distances, which were interpreted in view of H 1 and H 2 hypotheses within the LR framework. The performance of the models, controlled by the levels of incorrect responses and the empirical cross entropy, demonstrated that the proposed LR models are successful in verifying the authenticity of the wolframite samples. Graphical abstract Geochemical wolframite fingerprinting.

  2. Baseline and premining geochemical characterization of mined sites

    Science.gov (United States)

    Nordstrom, D. Kirk

    2015-01-01

    A rational goal for environmental restoration of new, active, or inactive mine sites would be ‘natural background’ or the environmental conditions that existed before any mining activities or other related anthropogenic activities. In a strictly technical sense, there is no such thing as natural background (or entirely non-anthropogenic) existing today because there is no part of the planet earth that has not had at least some chemical disturbance from anthropogenic activities. Hence, the terms ‘baseline’ and ‘pre-mining’ are preferred to describe these conditions. Baseline conditions are those that existed at the time of the characterization which could be pre-mining, during mining, or post-mining. Protocols for geochemically characterizing pre-mining conditions are not well-documented for sites already mined but there are two approaches that seem most direct and least ambiguous. One is characterization of analog sites along with judicious application of geochemical modeling. The other is reactive-transport modeling (based on careful synoptic sampling with tracer-injection) and subtracting inputs from known mining and mineral processing. Several examples of acidic drainage are described from around the world documenting the range of water compositions produced from pyrite oxidation in the absence of mining. These analog sites provide insight to the processes forming mineralized waters in areas untouched by mining. Natural analog water-chemistry data is compared with the higher metal concentrations, metal fluxes, and weathering rates found in mined areas in the few places where comparisons are possible. The differences are generally 1–3 orders of magnitude higher for acid mine drainage.

  3. 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

  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. 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

  6. 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

  7. 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

  8. 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

  9. Effects of sample survey design on the accuracy of classification tree models in species distribution models

    Science.gov (United States)

    Thomas C. Edwards; D. Richard Cutler; Niklaus E. Zimmermann; Linda Geiser; Gretchen G. Moisen

    2006-01-01

    We evaluated the effects of probabilistic (hereafter DESIGN) and non-probabilistic (PURPOSIVE) sample surveys on resultant classification tree models for predicting the presence of four lichen species in the Pacific Northwest, USA. Models derived from both survey forms were assessed using an independent data set (EVALUATION). Measures of accuracy as gauged by...

  10. Constraining Lateral Evolution of Magmatic Behavior in North Tanzania from Geophysical and Geochemical Analyses

    Science.gov (United States)

    Gautier, S.; Tiberi, C.; Parat, F.; Baudouin, C.

    2016-12-01

    In the framework of CRAFTI and CoLiBrEA experiments in 2013, we proceeded to both seismic and geochemical studies along an EW profile through the North Tanzania Divergence. The data were collected along a line starting at the Ngorongoro volcanic area, ending at Kitumbeine edifice and crossing the rift valley. Recent seismological studies show lateral and depth variations for both velocity and Vp/Vs ratio within this area, particularly a change of Moho depth between the western and central parts of the rift. These two zones also exhibit diverse geochemical signatures that involve different magma storage (depth of reservoir, magma volume) and ascent as well as higher partial melts content for the western part. We take advantage of the recent and precise 3D lithospheric velocity models and receiver functions in this area to compare the structure and nature of Ngorongoro area and rift valley. We first compute ray path and establish regional coherency maps between piercing points, Vp/Vs ratio and tomographic images. Second, those results are compared with the composition of magma at depth obtained from a petrophysical and geochemical analysis of lava samples. We will discuss those results in terms of magmatic processes, and how they interact with the rifting in a cratonic lithosphere.

  11. 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

  12. Optimum sampling scheme for characterization of mine tailings

    CSIR Research Space (South Africa)

    Debba, Pravesh

    2009-07-01

    Full Text Available The paper describes a novice method for sampling geochemicals to characterize mine tailings. The author’s model the spatial relationships between a multi-element signature and, as covariates, abundance estimates of secondary iron-bearing minerals...

  13. 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.

  14. 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.

  15. 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

  16. Integration of bed characteristics, geochemical tracers, current measurements, and numerical modeling for assessing the provenance of beach sand in the San Francisco Bay Coastal System

    Science.gov (United States)

    Barnard, Patrick L.; Foxgrover, Amy C.; Elias, Edwin P.L.; Erikson, Li H.; Hein, James R.; McGann, Mary; Mizell, Kira; Rosenbauer, Robert J.; Swarzenski, Peter W.; Takesue, Renee K.; Wong, Florence L.; Woodrow, Donald L.; Barnard, P.L.; Jaffee, B.E.; Schoellhamer, D.H.

    2013-01-01

    Over 150 million m3 of sand-sized sediment has disappeared from the central region of the San Francisco Bay Coastal System during the last half century. This enormous loss may reflect numerous anthropogenic influences, such as watershed damming, bay-fill development, aggregate mining, and dredging. The reduction in Bay sediment also appears to be linked to a reduction in sediment supply and recent widespread erosion of adjacent beaches, wetlands, and submarine environments. A unique, multi-faceted provenance study was performed to definitively establish the primary sources, sinks, and transport pathways of beach-sized sand in the region, thereby identifying the activities and processes that directly limit supply to the outer coast. This integrative program is based on comprehensive surficial sediment sampling of the San Francisco Bay Coastal System, including the seabed, Bay floor, area beaches, adjacent rock units, and major drainages. Analyses of sample morphometrics and biological composition (e.g., Foraminifera) were then integrated with a suite of tracers including 87Sr/86Sr and 143Nd/144Nd isotopes, rare earth elements, semi-quantitative X-ray diffraction mineralogy, and heavy minerals, and with process-based numerical modeling, in situ current measurements, and bedform asymmetry to robustly determine the provenance of beach-sized sand in the region.

  17. Sensitivity of Mantel Haenszel Model and Rasch Model as Viewed From Sample Size

    OpenAIRE

    ALWI, IDRUS

    2011-01-01

    The aims of this research is to study the sensitivity comparison of Mantel Haenszel and Rasch Model for detection differential item functioning, observed from the sample size. These two differential item functioning (DIF) methods were compared using simulate binary item respon data sets of varying sample size,  200 and 400 examinees were used in the analyses, a detection method of differential item functioning (DIF) based on gender difference. These test conditions were replication 4 tim...

  18. 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

  19. Uncertainty quantification in Rothermel's Model using an efficient sampling method

    Science.gov (United States)

    Edwin Jimenez; M. Yousuff Hussaini; Scott L. Goodrick

    2007-01-01

    The purpose of the present work is to quantify parametric uncertainty in Rothermel’s wildland fire spread model (implemented in software such as BehavePlus3 and FARSITE), which is undoubtedly among the most widely used fire spread models in the United States. This model consists of a nonlinear system of equations that relates environmental variables (input parameter...

  20. Relativistic electron influence on sanitary-model microorganisms and antibiotics in model samples

    International Nuclear Information System (INIS)

    Antipov, V.S.; Berezhna, I.V.; Kovpik, O.F.; Babych, E.M.; Voliansky, Yu.L.; Sklar, N.I.

    2004-01-01

    A series of the investigations of the electron beam influence on sanitary-model test cultures and antibiotics in model solutions has been carried out. For each of the test objects, the authors have found the boundary doses of the absorbed radiation. The higher doses cause the sharp increase in the bactericidal influence, which becomes complete. The sanitary-bactericidal indices of the water samples remain sable during 6 days. The samples of antibiotics in various concentrations (from 100 UA) have been irradiated. It is proved that the substratum processing by the beam (in the regimes 30 kGy) causes diminution and complete neutralization of the antibacterial activity in all probes of the samples

  1. Modelling the Interaction of Low pH Cements and Bentonite. Issues Affecting the Geochemical Evolution of Repositories for Radioactive Waste

    International Nuclear Information System (INIS)

    Watson, Claire; Benbow, Steven; Savage, David

    2007-05-01

    It is well known that in the hyperalkaline conditions (pH > 12) of standard cement pore fluids, there is potential for deleterious effects upon the host rock and other EBS materials, notably bentonite, in geological repositories for radioactive waste. Low pH cements are beginning to be considered as a potential alternative material that may address some of these concerns. Low pH cement (also known as low heat cement) was developed by the cement industry for use where large masses of cement (e.g. dams) could cause problems regarding heat generated during curing. In low pH cements, the amount of cement is reduced by substitution of materials such as fly ash, blast furnace slag, silica fume, and/or non pozzolanic silica flour. NUMO, Posiva and SKB have defined a pH limit ≤ 11 for cement grout leachates. To attain this pH, blending agents must comprise at least 50 wt % of dry materials. Because low pH cement has little, or no free portlandite, the cement consists predominantly of calcium silicate hydrate (CSH) gel with a Ca/Si ratio ≤ 0.8. In this report we give the results of a preliminary modelling study to investigate the potential impacts of low pH cement water. We compare the evolution of a bentonite sample under the influence of several invading cement porewaters over a pH range from 10 to 13.2. The porewater compositions are taken from published CSH gel leaching experiments and published cement-bentonite modelling studies. The models suggest that the amount of degradation that is likely to be observed when low pH cement water interacts with bentonite is likely to be much less than when OPC water is the invading fluid. Below pH 11 there was not an observable Na montmorillonite dissolution front which would tend to support the pH ≤ 11 target suggested by NUMO, Posiva and SKB. The models used in this study could be improved upon by including a cement component to the model (rather than representing cement as a fixed boundary condition). Solid-solution models

  2. Geochemical modelling of the weathering zone of the 'Mina Fe' U deposit (Spain): A natural analogue for nuclear spent fuel alteration and stability processes in radwaste disposal

    Energy Technology Data Exchange (ETDEWEB)

    Arcos, D. [AMPHOS XXI Consulting S.L., Passeig de Rubi, 29-31, 08197 Valldoreix, Barcelona (Spain)], E-mail: david.arcos@amphos21.com; Perez del Villar, L. [CIEMAT, Dpto.de Medio Ambiente, Avda, Complutense 22, 28040 Madrid (Spain); Bruno, J.; Domenech, C. [AMPHOS XXI Consulting S.L., Passeig de Rubi, 29-31, 08197 Valldoreix, Barcelona (Spain)

    2008-04-15

    The 'Mina Fe' U deposit (Salamanca, Spain) has been studied in the context of Enresa's programme for U-mine sites restoration and also as a natural analogue for processes in high-level nuclear waste (HLNW) geological disposal. The investigations encompassed an array of geoscience disciplines, such as structural geology, mineralogy, hydrogeology and elemental and isotopic geochemistry and hydrogeochemistry of the site. Based on the obtained results, a conceptual mineralogical and geochemical model was performed integrating the main geochemical processes occurring at the site: the interaction between oxidised and slightly acidic water with pyrite, pitchblende, calcite and dolomite, as essential minerals of the U fracture-filling mineralisation, and hydroxyapatite from the host rock, as the main source of P. This conceptual model has been tested in a systematic numerical model, which includes the main kinetic (pyrite and pitchblende dissolution) and equilibrium processes (carbonate mineral dissolution, and goethite, schoepite and autunite secondary precipitation). The results obtained from the reactive-transport model satisfactorily agree with the conceptual model previously established. The assumption of the precipitation of coffinite as a secondary mineral in the system cannot be correctly evaluated due to the lack of hydrochemical data from the reducing zone of the site and valid thermodynamic and kinetic data for this hydrated U(IV)-silicate. This precipitation can also be hampered by the probable existence of dissolved U(IV)-organic matter and/or uranyl carbonate complexes, which are thermodynamically stable under the alkaline and reducing conditions that prevail in the reducing zone of the system. Finally, the intense downwards oxic and acidic alteration in the upper part of the system is of no relevance for the performance assessment of a HLNW disposal. However, the acidic and oxidised conditions are quickly buffered to neutral-alkaline and

  3. inverse gaussian model for small area estimation via gibbs sampling

    African Journals Online (AJOL)

    ADMIN

    For example, MacGibbon and Tomberlin. (1989) have considered estimating small area rates and binomial parameters using empirical Bayes methods. Stroud (1991) used hierarchical Bayes approach for univariate natural exponential families with quadratic variance functions in sample survey applications, while Chaubey ...

  4. Recent advances in importance sampling for statistical model checking

    NARCIS (Netherlands)

    Reijsbergen, D.P.; de Boer, Pieter-Tjerk; Scheinhardt, Willem R.W.; Haverkort, Boudewijn R.H.M.

    2013-01-01

    In the following work we present an overview of recent advances in rare event simulation for model checking made at the University of Twente. The overview is divided into the several model classes for which we propose algorithms, namely multicomponent systems, Markov chains and stochastic Petri

  5. Environmental and geochemical studies using lower energy accelerator mass spectrometer

    International Nuclear Information System (INIS)

    Uchida, Masao; Kumata, Hidetoshi

    2016-01-01

    This paper introduces the latest versatile lower energy AMS, which shows a remarkable progress in recent years, the system incorporating it with a variety of analytical instruments, and environmental and geochemical studies using AMS associated with natural level "1"4C tracer, such as the analysis of Asian Brown Cloud originated from black carbon (BC) and the analysis of BC transport due to big rivers in the Arctic. Part of the lower energy AMS has been specifically developed for radiocarbon measurement. It has enabled, through a high-performance gas introduction interface system (GIS), the online introduction into the gas ion source of the sample gas that has been CO_2-converted with a pre-processing unit. Such online system achieved the simplification of sample pre-treatment, and a significant reduction (several μg-C to 1 mg-C) in necessary amount for analysis due to the above simplification. With the progress of such measurement techniques, the construction of "1"4CO_2 database on a global scale, which conventionally could not easily be realized, can be realized. From the observation data of "1"4CO_2, it is possible to more accurately grasp the amount of CO_2 released into the atmosphere through fossil fuel combustion. Therefore, the accuracy improvement of a numerical calculation model used for the estimation of CO_2 balance on earth can be expected. (A.O.)

  6. Cool seafloor hydrothermal springs reveal global geochemical fluxes

    Science.gov (United States)

    Wheat, C. Geoffrey; Fisher, Andrew T.; McManus, James; Hulme, Samuel M.; Orcutt, Beth N.

    2017-10-01

    We present geochemical data from the first samples of spring fluids from Dorado Outcrop, a basaltic edifice on 23 M.y. old seafloor of the Cocos Plate, eastern Pacific Ocean. These samples were collected from the discharge of a cool hydrothermal system (CHS) on a ridge flank, where typical reaction temperatures in the volcanic crust are low (2-20 °C) and fluid residence times are short. Ridge-flank hydrothermal systems extract 25% of Earth's lithospheric heat, with a global discharge rate equivalent to that of Earth's river discharge to the ocean; CHSs comprise a significant fraction of this global flow. Upper crustal temperatures around Dorado Outcrop are ∼15 °C, the calculated residence time is V, U, Mg, phosphate, Si and Li are different. Applying these observed differences to calculated global CHS fluxes results in chemical fluxes for these ions that are ≥15% of riverine fluxes. Fluxes of K and B also may be significant, but better analytical resolution is required to confirm this result. Spring fluids also have ∼50% less dissolved oxygen (DO) than bottom seawater. Calculations of an analytical model suggest that the loss of DO occurs primarily (>80%) within the upper basaltic crust by biotic and/or abiotic consumption. This calculation demonstrates that permeable pathways within the upper crust can support oxic water-rock interactions for millions of years.

  7. 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 d