WorldWideScience

Sample records for contaminant fate model

  1. EVALUATION OF THE STATE-OF-THE-ART CONTAMINATED SEDIMENT TRANSPORT AND FATE MODELING SYSTEM

    Science.gov (United States)

    Modeling approaches for evaluating the transport and fate of sediment and associated contaminants are briefly reviewed. The main emphasis is on: 1) the application of EFDC (Environmental Fluid Dynamics Code), the state-of-the-art contaminated sediment transport and fate public do...

  2. BETR global - A geographically-explicit global-scale multimedia contaminant fate model

    International Nuclear Information System (INIS)

    MacLeod, Matthew; Waldow, Harald von; Tay, Pascal; Armitage, James M.; Woehrnschimmel, Henry; Riley, William J.; McKone, Thomas E.; Hungerbuhler, Konrad

    2011-01-01

    We present two new software implementations of the BETR Global multimedia contaminant fate model. The model uses steady-state or non-steady-state mass-balance calculations to describe the fate and transport of persistent organic pollutants using a desktop computer. The global environment is described using a database of long-term average monthly conditions on a 15 o x 15 o grid. We demonstrate BETR Global by modeling the global sources, transport, and removal of decamethylcyclopentasiloxane (D5). - Two new software implementations of the Berkeley-Trent Global Contaminant Fate Model are available. The new model software is illustrated using a case study of the global fate of decamethylcyclopentasiloxane (D5).

  3. Modelling the fate of oxidisable organic contaminants in groundwater

    DEFF Research Database (Denmark)

    Barry, D.A.; Prommer, H.; Miller, C.T.

    2002-01-01

    modelling framework is illustrated by pertinent examples, showing the degradation of dissolved organics by microbial activity limited by the availability of nutrients or electron acceptors (i.e., changing redox states), as well as concomitant secondary reactions. Two field-scale modelling examples......Subsurface contamination by organic chemicals is a pervasive environmental problem, susceptible to remediation by natural or enhanced attenuation approaches or more highly engineered methods such as pump-and-treat, amongst others. Such remediation approaches, along with risk assessment...... are discussed, the Vejen landfill (Denmark) and an example where metal contamination is remediated by redox changes wrought by injection of a dissolved organic compound. A summary is provided of current and likely future challenges to modelling of oxidisable organics in the subsurface. (C) 2002 Elsevier Science...

  4. BETR Global - A geographically explicit global-scale multimedia contaminant fate model

    Energy Technology Data Exchange (ETDEWEB)

    Macleod, M.; Waldow, H. von; Tay, P.; Armitage, J. M.; Wohrnschimmel, H.; Riley, W.; McKone, T. E.; Hungerbuhler, K.

    2011-04-01

    We present two new software implementations of the BETR Global multimedia contaminant fate model. The model uses steady-state or non-steady-state mass-balance calculations to describe the fate and transport of persistent organic pollutants using a desktop computer. The global environment is described using a database of long-term average monthly conditions on a 15{sup o} x 15{sup o} grid. We demonstrate BETR Global by modeling the global sources, transport, and removal of decamethylcyclopentasiloxane (D5).

  5. Illustrating sensitivity in environmental fate models using partitioning maps - application to selected contaminants

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, T.; Wania, F. [Univ. of Toronto at Scarborough - DPES, Toronto (Canada)

    2004-09-15

    Generic environmental multimedia fate models are important tools in the assessment of the impact of organic pollutants. Because of limited possibilities to evaluate generic models by comparison with measured data and the increasing regulatory use of such models, uncertainties of model input and output are of considerable concern. This led to a demand for sensitivity and uncertainty analyses for the outputs of environmental fate models. Usually, variations of model predictions of the environmental fate of organic contaminants are analyzed for only one or at most a few selected chemicals, even though parameter sensitivity and contribution to uncertainty are widely different for different chemicals. We recently presented a graphical method that allows for the comprehensive investigation of model sensitivity and uncertainty for all neutral organic chemicals simultaneously. This is achieved by defining a two-dimensional hypothetical ''chemical space'' as a function of the equilibrium partition coefficients between air, water, and octanol (K{sub OW}, K{sub AW}, K{sub OA}), and plotting sensitivity and/or uncertainty of a specific model result to each input parameter as function of this chemical space. Here we show how such sensitivity maps can be used to quickly identify the variables with the highest influence on the environmental fate of selected, chlorobenzenes, polychlorinated biphenyls (PCBs), polycyclic aromatic hydrocarbons (PAHs), hexachlorocyclohexanes (HCHs) and brominated flame retardents (BFRs).

  6. Contaminant fate and transport in the Venice Lagoon: results from a multi-segment multimedia model.

    Science.gov (United States)

    Sommerfreund, J K; Gandhi, N; Diamond, M L; Mugnai, C; Frignani, M; Capodaglio, G; Gerino, M; Bellucci, L G; Giuliani, S

    2010-03-01

    Contaminant loadings to the Venice Lagoon peaked from 1950s-1980s and although they have since declined, contaminant concentrations remain elevated in sediment and seafood. In order to identify the relative importance of contaminant sources, inter-media exchange and removal pathways, a modified 10-segment fugacity/aquivalence-based model was developed for octachlorodibenzodioxin/furan (OCDD/F), PCB-180, Pb and Cu in the Venice Lagoon. Results showed that in-place pollution nearby the industrial area, current industrial discharges, and tributary loadings were the main sources of contaminants to the lagoon, with negligible contributions from the atmosphere. The fate of these contaminants was governed by sediment-water exchange with simultaneous advective transport by water circulation. Contaminants circulated amongst the northern and central basins with a small fraction reaching the far southern basin and the Chioggia inlet. As a consequence, we estimated limited contaminant transfer to the Adriatic Sea, trapping the majority of contaminants in the sediment in this "average" circulation scenario which does not account for periodic flooding events. (c) 2009 Elsevier Inc. All rights reserved.

  7. Application of SPARROW modeling to understanding contaminant fate and transport from uplands to streams

    Science.gov (United States)

    Ator, Scott; Garcia, Ana Maria.

    2016-01-01

    Understanding spatial variability in contaminant fate and transport is critical to efficient regional water-quality restoration. An approach to capitalize on previously calibrated spatially referenced regression (SPARROW) models to improve the understanding of contaminant fate and transport was developed and applied to the case of nitrogen in the 166,000 km2 Chesapeake Bay watershed. A continuous function of four hydrogeologic, soil, and other landscape properties significant (α = 0.10) to nitrogen transport from uplands to streams was evaluated and compared among each of the more than 80,000 individual catchments (mean area, 2.1 km2) in the watershed. Budgets (including inputs, losses or net change in storage in uplands and stream corridors, and delivery to tidal waters) were also estimated for nitrogen applied to these catchments from selected upland sources. Most (81%) of such inputs are removed, retained, or otherwise processed in uplands rather than transported to surface waters. Combining SPARROW results with previous budget estimates suggests 55% of this processing is attributable to denitrification, 23% to crop or timber harvest, and 6% to volatilization. Remaining upland inputs represent a net annual increase in landscape storage in soils or biomass exceeding 10 kg per hectare in some areas. Such insights are important for planning watershed restoration and for improving future watershed models.

  8. A reactive transport model for mercury fate in contaminated soil--sensitivity analysis.

    Science.gov (United States)

    Leterme, Bertrand; Jacques, Diederik

    2015-11-01

    We present a sensitivity analysis of a reactive transport model of mercury (Hg) fate in contaminated soil systems. The one-dimensional model, presented in Leterme et al. (2014), couples water flow in variably saturated conditions with Hg physico-chemical reactions. The sensitivity of Hg leaching and volatilisation to parameter uncertainty is examined using the elementary effect method. A test case is built using a hypothetical 1-m depth sandy soil and a 50-year time series of daily precipitation and evapotranspiration. Hg anthropogenic contamination is simulated in the topsoil by separately considering three different sources: cinnabar, non-aqueous phase liquid and aqueous mercuric chloride. The model sensitivity to a set of 13 input parameters is assessed, using three different model outputs (volatilized Hg, leached Hg, Hg still present in the contaminated soil horizon). Results show that dissolved organic matter (DOM) concentration in soil solution and the binding constant to DOM thiol groups are critical parameters, as well as parameters related to Hg sorption to humic and fulvic acids in solid organic matter. Initial Hg concentration is also identified as a sensitive parameter. The sensitivity analysis also brings out non-monotonic model behaviour for certain parameters.

  9. A novel modeling tool with multi-stressor functionality for organic contaminant transport and fate in the Baltic Sea

    Energy Technology Data Exchange (ETDEWEB)

    Undeman, E., E-mail: emma.undeman@itm.su.se [Baltic Nest Institute, Baltic Sea Centre, Stockholm University, 10691 Stockholm (Sweden); Department of Applied Environmental Science, Stockholm University, 11418 Stockholm (Sweden); Gustafsson, E., E-mail: erik.gustafsson@su.se [Baltic Nest Institute, Baltic Sea Centre, Stockholm University, 10691 Stockholm (Sweden); Gustafsson, B.G., E-mail: bo.gustafsson@su.se [Baltic Nest Institute, Baltic Sea Centre, Stockholm University, 10691 Stockholm (Sweden)

    2014-11-01

    The coupled physical–biogeochemical model BALTSEM, previously used to assess nutrient/carbon cycles and eutrophication in the Baltic Sea, has been expanded to include algorithms for calculations of organic contaminant environmental transport and fate. This novel model version (BALTSEM-POP) is evaluated for polychlorinated biphenyls (PCBs), polychlorinated dibenzo-p-dioxins/dibenzofurans (PCDD/Fs) and hexachlorobenzene (HCB) in Baltic Sea surface water and sediment. Modeled dissolved concentrations are usually within a factor of 2–4 of observed concentrations, however with larger deviations for furans. Calculated concentrations in particulate organic matter are less accurate (within factors of 1–700), likely due to errors in estimated pelagic biomass, particulate matter–water partitioning, and large natural variability in field data. Concentrations in sediments are usually predicted within a factor of 6. The good performance of the model illustrates its usefulness for exploration of contaminant fate in response to variations in nutrient input and climatic conditions in the Baltic Sea marine environment. - Highlights: • A new model for organic chemical transport and fate in the Baltic Sea is presented. • Physical and biogeochemical processes are linked to organic contaminant transport. • The model is evaluated for PCBs, HCB and PCDD/Fs. • The model can predict dissolved concentrations within a factor of ca 2–4. • Predictions for concentrations in particulate matter and sediment are less accurate.

  10. A dynamic contaminant fate model of organic compound: a case study of Nitrobenzene pollution in Songhua River, China.

    Science.gov (United States)

    Wang, Ce; Feng, Yujie; Zhao, Shanshan; Li, Bai-Lian

    2012-06-01

    A one-dimensional dynamic contaminant fate model, coupling kinematic wave flow option with advection-dispersion-reaction equation, has been applied to predict Nitrobenzene pollution emergency in Songhua River, China that occurred on November 13, 2005. The model includes kinetic processes including volatilization, photolysis and biodegradation, and diffusive mass exchange between water column and sediment layer as a function of particles settling and resuspension. Four kinds of quantitative statistical tests, namely Nash-Sutcliffe efficiency, percent bias, ratio of root-mean-square to the standard deviation of monitoring data and Theil's inequality coefficient, are adopted to evaluate model performance. The results generally show that the modeled and detected concentrations exhibit good consistency. Flow velocity in the river is most sensitive parameter to Nitrobenzene concentration in water column based on sensitivity analysis of input parameters. It indicates flow velocity has important impact on both distribution and variance of contaminant concentration. The model performs satisfactory for prediction of organic pollutant fate in Songhua River, with the ability to supply necessary information for pollution event control and early warning, which could be applied to similar long natural rivers. Copyright © 2012 Elsevier Ltd. All rights reserved.

  11. Modeling of geo-material durability and contaminant fate in recycling or disposal of industrial and radioactive waste

    International Nuclear Information System (INIS)

    De Windt, L.

    2011-01-01

    This report deals with the HYTEC model, coupling chemical and hydrodynamic processes, and its application to the recycling of inorganic wastes and the disposal of hazardous and radioactive wastes. A common feature is the assessment of geo-material durability while submitted to chemical disturbances by their industrial or natural environment and, reciprocally, the quantification of contaminant fate in soils and aquifers. Research papers in a first section numerically oriented, HYTEC is validated by means of an intercomparison exercise based on oxidative UO 2 dissolution and the subsequent migration of U species in subsurface environments. A numerical approach of leaching tests is also discussed. Several researches based on HYTEC follows. The evolution of the cement/clay interface is simulated in the framework of the multi-barrier system of radioactive waste disposal and the Tournemire engineering analog; discriminating between the physical and chemical key processes. The physico-chemical processes of cement biodegradation by fungi are investigated with a focus on acidic hydrolysis and complexation by biogenic carboxylic acids. Modeling of source-terms and ageing with respect to contaminant migration is discussed in the case of the chemical alteration of spent fuel pellets under disposal conditions by considering radiolytic dissolution, inhibiting effect and radioactive decay, and by analyzing the effect of fractures on the containment properties of subsurface disposal facilities of stabilized/solidified waste. Leaching lab experiments applied to steel slag and the chemical evolution of leachate from MSWI sub-bases of two pilot roads over 10 years are eventually modelled to better estimate the environmental impact of such recycling scenarios. On-going research In the straight lines of the modeling of radioactive waste disposal, a first perspective is to investigate the transient states driven by thermal gradient and water re-saturation of the near-field barriers and

  12. Applications of contaminant fate and bioaccumulation models in assessing ecological risks of chemicals: A case study for gasoline hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    MacLeod, Matthew; McKone, Thomas E.; Foster, Karen L.; Maddalena, Randy L.; Parkerton, Thomas F.; Mackay, Don

    2004-02-01

    Mass balance models of chemical fate and transport can be applied in ecological risk assessments for quantitative estimation of concentrations in air, water, soil and sediment. These concentrations can, in turn, be used to estimate organism exposures and ultimately internal tissue concentrations that can be compared to mode-of-action-based critical body residues that correspond to toxic effects. From this comparison, risks to the exposed organism can be evaluated. To illustrate the practical utility of fate models in ecological risk assessments of commercial products, the EQC model and a simple screening level biouptake model including three organisms, (a bird, a mammal and a fish) is applied to gasoline. In this analysis, gasoline is divided into 24 components or ''blocks'' with similar environmental fate properties that are assumed to elicit ecotoxicity via a narcotic mode of action. Results demonstrate that differences in chemical properties and mode of entry into the environment lead to profound differences in the efficiency of transport from emission to target biota. We discuss the implications of these results and insights gained into the regional fate and ecological risks associated with gasoline. This approach is particularly suitable for assessing mixtures of components that have similar modes of action. We conclude that the model-based methodologies presented are widely applicable for screening level ecological risk assessments that support effective chemicals management.

  13. Estimating fate and transport of multiple contaminants in the vadose zone using a multi-layered soil column and three-phase equilibrium partitioning model

    International Nuclear Information System (INIS)

    Rucker, Gregory G.

    2007-01-01

    Soils at waste sites must be evaluated for the potential of residual soil contamination to leach and migrate to the groundwater beneath the disposal area. If migration to the aquifer occurs, contaminants can travel vast distances and pollute drinking water wells, thus exposing human receptors to harmful levels of toxins and carcinogens. To prevent groundwater contamination, a contaminant fate and transport analysis is necessary to assess the migration potential of residual soil contaminants. This type of migration analysis is usually performed using a vadose zone model to account for complex geotechnical and chemical variables including: decay processes, infiltration rate, soil properties, vadose zone thickness, and chemical behavior. The distinct advantage of using a complex model is that less restrictive, but still protective, soil threshold levels may be determined avoiding the unnecessary and costly remediation of marginally contaminated soils. However, the disadvantage of such modeling is the additional cost for data collection and labor required to apply these models. In order to allay these higher costs and to achieve a less restrictive but still protective clean-up level, a multiple contaminant and multi layered soil column equilibrium partitioning model was developed which is faster, simpler and less expensive to use. (authors)

  14. Modelling the fate of hydrophobic organic contaminants in a boreal forest catchment: A cross disciplinary approach to assessing diffuse pollution to surface waters

    International Nuclear Information System (INIS)

    Bergknut, Magnus; Meijer, Sandra; Halsall, Crispin; Agren, Anneli; Laudon, Hjalmar; Koehler, Stephan; Jones, Kevin C.; Tysklind, Mats; Wiberg, Karin

    2010-01-01

    The fate of hydrophobic organic compounds (HOCs) in soils and waters in a northern boreal catchment was explored through the development of a chemical fate model in a well-characterised catchment system dominated by two land types: forest and mire. Input was based solely on atmospheric deposition, dominated by accumulation in the winter snowpack. Release from soils was governed by the HOC concentration in soil, the soil organic carbon fraction and soil-water DOC content. The modelled export of selected HOCs in surface waters ranged between 11 and 250 ng day -1 during the snow covered period, compared to 200 and 9600 ng/d during snow-melt; highlighting the importance of the snow pack as a source of these chemicals. The predicted levels of HOCs in surface water were in reasonable agreement to a limited set of measured values, although the model tended to over predict concentrations of HOCs for the forested sub-catchment, by over an order of magnitude in the case of hexachlorobenzene and PCB 180. This possibly reflects both the heterogeneity of the forest soils and the complicated and changing hydrology experienced between the different seasons. - The fate of hydrophobic organic contaminants in a boreal forest catchment is connected to the flux of dissolved organic carbon and seasonal deposition.

  15. A coupled modelling effort to study the fate of contaminated sediments downstream of the Coles Hill deposit, Virginia, USA

    Directory of Open Access Journals (Sweden)

    C. F. Castro-Bolinaga

    2015-03-01

    Full Text Available This paper presents the preliminary results of a coupled modelling effort to study the fate of tailings (radioactive waste-by product downstream of the Coles Hill uranium deposit located in Virginia, USA. The implementation of the overall modelling process includes a one-dimensional hydraulic model to qualitatively characterize the sediment transport process under severe flooding conditions downstream of the potential mining site, a two-dimensional ANSYS Fluent model to simulate the release of tailings from a containment cell located partially above the local ground surface into the nearby streams, and a one-dimensional finite-volume sediment transport model to examine the propagation of a tailings sediment pulse in the river network located downstream. The findings of this investigation aim to assist in estimating the potential impacts that tailings would have if they were transported into rivers and reservoirs located downstream of the Coles Hill deposit that serve as municipal drinking water supplies.

  16. Choice of pesticide fate models

    International Nuclear Information System (INIS)

    Balderacchi, Matteo; Trevisan, Marco; Vischetti, Costantino

    2006-01-01

    The choice of a pesticide fate model at field scale is linked to the available input data. The article describes the available pesticide fate models at a field scale and the guidelines for the choice of the suitable model as function of the data input requested [it

  17. Examination of the uncertainty in contaminant fate and transport modeling: a case study in the Venice Lagoon.

    Science.gov (United States)

    Sommerfreund, J; Arhonditsis, G B; Diamond, M L; Frignani, M; Capodaglio, G; Gerino, M; Bellucci, L; Giuliani, S; Mugnai, C

    2010-03-01

    A Monte Carlo analysis is used to quantify environmental parametric uncertainty in a multi-segment, multi-chemical model of the Venice Lagoon. Scientific knowledge, expert judgment and observational data are used to formulate prior probability distributions that characterize the uncertainty pertaining to 43 environmental system parameters. The propagation of this uncertainty through the model is then assessed by a comparative analysis of the moments (central tendency, dispersion) of the model output distributions. We also apply principal component analysis in combination with correlation analysis to identify the most influential parameters, thereby gaining mechanistic insights into the ecosystem functioning. We found that modeled concentrations of Cu, Pb, OCDD/F and PCB-180 varied by up to an order of magnitude, exhibiting both contaminant- and site-specific variability. These distributions generally overlapped with the measured concentration ranges. We also found that the uncertainty of the contaminant concentrations in the Venice Lagoon was characterized by two modes of spatial variability, mainly driven by the local hydrodynamic regime, which separate the northern and central parts of the lagoon and the more isolated southern basin. While spatial contaminant gradients in the lagoon were primarily shaped by hydrology, our analysis also shows that the interplay amongst the in-place historical pollution in the central lagoon, the local suspended sediment concentrations and the sediment burial rates exerts significant control on the variability of the contaminant concentrations. We conclude that the probabilistic analysis presented herein is valuable for quantifying uncertainty and probing its cause in over-parameterized models, while some of our results can be used to dictate where additional data collection efforts should focus on and the directions that future model refinement should follow. (c) 2009 Elsevier Inc. All rights reserved.

  18. Modeling Engineered Nanomaterials (ENMs) Fate and Transport in Aquatic Ecosystems

    Science.gov (United States)

    Under the Toxic Substances Control Act (TSCA), the Environmental Protection Agency (EPA) is required to perform new chemical reviews of engineered nanomaterials (ENMs) identified in pre-manufacture notices. However, environmental fate models developed for traditional contaminants...

  19. Final Report Coupling in silico microbial models with reactive transport models to predict the fate of contaminants in the subsurface.

    Energy Technology Data Exchange (ETDEWEB)

    Lovley, Derek R.

    2012-10-31

    This project successfully accomplished its goal of coupling genome-scale metabolic models with hydrological and geochemical models to predict the activity of subsurface microorganisms during uranium bioremediation. Furthermore, it was demonstrated how this modeling approach can be used to develop new strategies to optimize bioremediation. The approach of coupling genome-scale metabolic models with reactive transport modeling is now well enough established that it has been adopted by other DOE investigators studying uranium bioremediation. Furthermore, the basic principles developed during our studies will be applicable to much broader investigations of microbial activities, not only for other types of bioremediation, but microbial metabolism in diversity of environments. This approach has the potential to make an important contribution to predicting the impact of environmental perturbations on the cycling of carbon and other biogeochemical cycles.

  20. A multimedia fate model to evaluate the fate of PAHs in Songhua River, China

    International Nuclear Information System (INIS)

    Wang Ce; Feng Yujie; Sun Qingfang; Zhao Shanshan; Gao Peng; Li Bailian

    2012-01-01

    A multimedia fate model coupling dynamic water flow with a level IV fugacity model has been developed and applied to simulate the temporal and spatial fate of Polycyclic Aromatic Hydrocarbons (PAHs) in the Songhua River, China. The model has two components: in the first, the one-dimensional network kinematic wave equation is used to calculate varying water flow and depth. In the second, Fugacity IV equations are implemented to predict contaminant distributions in four environmental media. The estimated concentrations of eight PAHs in Songhua River are obtained, and all simulated results are in acceptable agreement with monitoring data, as verified with the Theil’s inequality coefficient test. The sensitivity of PAH concentration in each environmental phase to input parameters are also evaluated. Our results show the model predicts reasonably accurate contaminant concentrations in natural rivers, and that it can be used to supply necessary information for control and management of water pollution. - Highlights: ► The model used was developed based on kinematic wave equation and level IV fugacity principle. ► The model was applied to describe the fate and transport of organic chemicals in natural river. ► The concentrations of PAHs in water column were satisfactorily simulated when compared with monitoring data. ► Temporal and spatial variability of PAHs concentration among multimedia environmental phases was illustrated. - A dynamic water flow based multimedia fate model is developed to characterize the fate and transport of organic contaminant in natural rivers.

  1. Modeling of the fate of radionuclides in urban sewer systems after contamination due to nuclear or radiological incidents

    DEFF Research Database (Denmark)

    Urso, L.; Kaiser, J.C.; Andersson, Kasper Grann

    2013-01-01

    After an accidental radioactive contamination by aerosols in inhabited areas, the radiation exposure to man is determined by complex interactions between different factors such as dry or wet deposition, different types of ground surfaces, chemical properties of the radionuclides involved and buil...

  2. Integrated fate and toxicity assessment for site contaminants

    International Nuclear Information System (INIS)

    MacDonell, Margaret; Peterson, John; Finster, Molly; Douglas, R.

    2007-01-01

    Understanding the fate and toxicity of environmental contaminants is essential to framing practical management decisions. Forms and bioavailable concentrations often change over time due to natural physical, chemical, and biological processes. For some sites, hundreds of contaminants may be of initial interest, and even small projects can involve a substantial number of contaminants. With multiple assessments common, attention to effectiveness and efficiency is important, and integrating fate and toxicity information provides a valuable way to focus the analyses. Fate assessments help identify what forms may be present where and when, while toxicity information indicates what health effects could result if people were exposed. The integration process is illustrated by an application for the Hanford site, to support long-term management decisions for the cesium and strontium capsules. Fate data, health-based benchmarks, and related toxicity information were effectively combined to indicate performance targets for chemicals and radionuclides identified for capsule leachate that could migrate to groundwater. More than 50 relevant benchmarks and toxicity context were identified for 15 of the 17 study contaminants; values for chronic drinking water exposure provided the common basis for selected indicators. For two chemicals, toxicity information was identified from the scientific literature to guide the performance targets. (authors)

  3. Detection, Occurrence and Fate of Emerging Contaminants in Agricultural Environments

    Science.gov (United States)

    Cassada, David A.; Bartelt–Hunt, Shannon L.; Li, Xu; D’Alessio, Matteo; Zhang, Yun; Zhang, Yuping; Sallach, J. Brett

    2018-01-01

    A total of 59 papers published in 2015 were reviewed ranging from detailed descriptions of analytical methods, to fate and occurrence studies, to ecological effects and sampling techniques for a wide variety of emerging contaminants likely to occur in agricultural environments. New methods and studies on veterinary pharmaceuticals, steroids, antibiotic resistance genes in agricultural environments continue to expand our knowledge base on the occurrence and potential impacts of these compounds. This review is divided into the following sections: Introduction, Analytical Methods, Steroid Hormones, Pharmaceutical Contaminants, Transformation Products, and “Antibiotic Resistance, Drugs, Bugs and Genes”. PMID:27620078

  4. Modeling Engineered Nanomaterials (ENMs) Fate and ...

    Science.gov (United States)

    Under the Toxic Substances Control Act (TSCA), the Environmental Protection Agency (EPA) is required to perform new chemical reviews of engineered nanomaterials (ENMs) identified in pre-manufacture notices. However, environmental fate models developed for traditional contaminants are limited in their ability to simulate the environmental behavior of nanomaterials due to incomplete understanding and representation of the processes governing nanomaterial distribution in the environment and by scarce empirical data quantifying the interaction of nanomaterials with environmental surfaces. We have updated the Water Quality Analysis Simulation Program (WASP), version S, to incorporate nanomaterials as an explicitly simulated state variable. WASPS now has the capability to simulate nanomaterial fate and transport in surface waters and sediments using heteroaggregation, the kinetic process governing the attachment of nanomaterials to particles and subsequently ENM distribution in the aqueous and sediment phases. Unlike dissolved chemicals which use equilibrium partition coefficients, heteroaggregation consists of a particle collision rate and an attachment efficiency ( lXhet) that generally acts as a one direction process. To demonstrate, we used a derived a het value from sediment attachment studies to parameterize WASP for simulation of multi walled carbon nanotube (MWCNT) transport in Brier Creek, a coastal plain river located in central eastern Georgia, USA and a tr

  5. Fate and transport modelling of uranium in Port Hope Harbour

    International Nuclear Information System (INIS)

    Pinilla, C.E.; Garisto, N.; Peters, R.

    2010-01-01

    Fate and transport modelling of contaminants in Port Hope Harbour and near-shore Lake Ontario was undertaken in support of an ecological and human health risk assessment. Uranium concentrations in the Harbour and near-shore Lake Ontario due to groundwater and storm water loadings were estimated with a state-of-the-art 3D hydrodynamic and contaminant transport model (ECOMSED). The hydrodynamic model was simplified to obtain a first estimate of the flow pattern in the Harbour. The model was verified with field data using a tracer (fluoride). The modelling results generally showed good agreement with the tracer field data. (author)

  6. Fate factors and emission flux estimates for emerging contaminants in surface waters

    Directory of Open Access Journals (Sweden)

    Hoa T. Trinh

    2016-01-01

    Full Text Available Pharmaceuticals, personal care products, hormones, and wastewater products are emerging environmental concerns for manifold reasons, including the potential of some compounds found in these products for endocrine disruption at a very low chronic exposure level. The environmental occurrences and sources of these contaminants in the water, soil, sediment and biota in European nations and the United States are well documented. This work reports a screening-level emission and fate assessment of thirty compounds, listed in the National Reconnaissance of the United States Geological Survey (USGS, 1999–2000 as the most frequently detected organic wastewater contaminants in U.S. streams and rivers. Estimations of the surface water fate factors were based on Level II and Level III multimedia fugacity models for a 1000 km2 model environment, the size of a typical county in the eastern United States. The compounds are categorized into three groups based upon the sensitivity of their predicted surface water fate factors to uncertainties in their physicochemical property values and the landscape parameters. The environmental fate factors, mass distributions, and loss pathways of all of the compounds are strongly affected by their assumed modes of entry into the environment. It is observed that for thirteen of the thirty organic wastewater contaminants most commonly detected in surface waters, conventional treatment strategies may be ineffective for their removal from wastewater effluents. The surface water fate factors predicted by the fugacity models were used in conjunction with the surface water concentrations measured in the USGS reconnaissance to obtain emission flux estimates for the compounds into U.S. streams and rivers. These include estimated fluxes of 6.8 × 10−5 to 0.30 kg/h km2 for the biomarker coprostanol; 1.7 × 10−5 to 6.5 × 10−5 kg/h km2 for the insect repellent N,N-diethyltoluamide; and 4.3 × 10−6 to 3.1 × 10−5 kg/h km2 for

  7. Environmental fate of natural radioactive contaminants in fertilizers and phosphogypsum

    International Nuclear Information System (INIS)

    Batalha, Marcia Salamoni; Genuchten, Martinus Theodorus van

    2010-01-01

    Agricultural soils often require the use of fertilizers and soil conditioners for optimal production. Phosphate fertilizers produced from igneous phosphate rock often contain small amounts of natural radionuclides (notably uranium and thorium), while the byproduct phosphogypsum (dihydrated calcium sulfate) is typically enriched in radium and lead. It is important to understand the long-term fate of these radionuclides when routinely applied via fertilizers ( 238 U and 234 U) and phosphogypsum as an amendment ( 226 Ra and 210 Pb) to agricultural lands. This study addresses the results of modeling their transport in a typical Cerrado soil profile. The HYDRUS-1D code was used to compare possible soil and groundwater pollution scenarios following the long term use of fertilizers and phosphogypsum in agricultural operations. Results using the equilibrium transport approach suggest that radionuclide concentrations originating from the use of phosphate fertilizers and phosphogypsum are relatively modest and will not pose a major risk to polluting underlying groundwater resources. (author)

  8. Environmental fate of natural radioactive contaminants in fertilizers and phosphogypsum

    Energy Technology Data Exchange (ETDEWEB)

    Batalha, Marcia Salamoni; Genuchten, Martinus Theodorus van, E-mail: msbatalha@oi.com.b, E-mail: rvangenuchten@yahoo.co [Federal University of Rio de Janeiro (LTTC/COPPE/UFRJ), RJ (Brazil). Dept. of Mechanical Engineering. Lab. de Transmissao e Tecnologia do Calor; Bezerra, Camila Rosa, E-mail: camila.rosabz@gmail.co [Federal University of Rio de Janeiro (COPPE/UFRJ), RJ (Brazil). Dept. of Civil Engineering; Pontedeiro, Elizabeth May, E-mail: bettymay@cnen.gov.b [Brazilian Nuclear Energy Commission (CNEN), Rio de Janeiro, RJ (Brazil)

    2010-07-01

    Agricultural soils often require the use of fertilizers and soil conditioners for optimal production. Phosphate fertilizers produced from igneous phosphate rock often contain small amounts of natural radionuclides (notably uranium and thorium), while the byproduct phosphogypsum (dihydrated calcium sulfate) is typically enriched in radium and lead. It is important to understand the long-term fate of these radionuclides when routinely applied via fertilizers ({sup 238}U and {sup 234}U) and phosphogypsum as an amendment ({sup 226}Ra and {sup 210}Pb) to agricultural lands. This study addresses the results of modeling their transport in a typical Cerrado soil profile. The HYDRUS-1D code was used to compare possible soil and groundwater pollution scenarios following the long term use of fertilizers and phosphogypsum in agricultural operations. Results using the equilibrium transport approach suggest that radionuclide concentrations originating from the use of phosphate fertilizers and phosphogypsum are relatively modest and will not pose a major risk to polluting underlying groundwater resources. (author)

  9. Selection of distribution coefficients for contaminant fate and transport calculations: Strontium as a case study

    International Nuclear Information System (INIS)

    Kaplan, D.I.; Krupka, K.M.; Serne, R.J.

    1997-01-01

    As part of an ongoing project funded by a cooperative effort involving the Office of Radiation and Indoor Air (ORIA) of the U.S. Environmental Protection Agency (EPA), the Office of Environmental Restoration (EM-40) of the Department of Energy (DOE), and the Nuclear Regulatory Agency (NRC), distribution coefficient (K d ) values are being compiled from the literature to develop provisional tables for cadmium, cesium, chromium, lead, plutonium, strontium, thorium, and uranium. The tables are organized according to important aqueous- and solid-phase parameters affecting the sorption of these contaminants. These parameters, which vary with contaminant, include pH and redox conditions; cation exchange capacity (CEC); presence of iron-oxide, aluminum-oxide, clay, and mica minerals; organic matter content; and solution concentrations of contaminants, competing ions, and complexing ligands. Sorption information compiled for strontium is used to illustrate our approach. The strontium data show how selected geochemical parameters (i.e., CEC, pH, and clay content) affect Strontium K d values and the selection of open-quote default close-quote K d values needed for modeling contaminant transport and risks at sites for which site specific data are lacking. Results of our evaluation may be used by site management and technical staff to assess contaminant fate, migration, and risk calculations in support of site remediation and waste management decisions

  10. Release of hexachlorocyclohexanes from historically and freshly contaminated soils in China: Implications for fate and regulation

    International Nuclear Information System (INIS)

    Duan Lin; Zhang Nan; Wang Yu; Zhang Chengdong; Zhu Lingyan; Chen Wei

    2008-01-01

    Hexachlorocyclohexanes (HCHs) were produced and used in large quantity worldwide and are common soil pollutants. In this study, desorption of α-HCH and γ-HCH from two soil samples collected from a historical pesticide plant in Tianjin, China, was examined. As a comparison, desorption of freshly sorbed γ-HCH was examined, using five typical Chinese soils. Strong resistant desorption was observed for both historically contaminated and freshly contaminated soils, and desorption results were well modeled with a biphasic desorption isotherm. The unique thermodynamic characteristics associated with the desorption-resistant fraction indicated that physical constraint within soil organic matrices was likely the predominant mechanism controlling resistant desorption. Resistant desorption could have significant effects on fate and exposure of HCHs in soil environment. More accurate biphasic desorption models that take into account of the resistant desorption can be used to facilitate regulating, management and remediation of HCH-contaminated sites. - Resistant desorption of HCHs from both historically and freshly contaminated soils can be well predicted with a biphasic desorption model

  11. Organic contaminant transport and fate in the subsurface: evolution of knowledge and understanding

    Science.gov (United States)

    Essaid, Hedeff I.; Bekins, Barbara A.; Cozzarelli, Isabelle M.

    2015-01-01

    Toxic organic contaminants may enter the subsurface as slightly soluble and volatile nonaqueous phase liquids (NAPLs) or as dissolved solutes resulting in contaminant plumes emanating from the source zone. A large body of research published in Water Resources Research has been devoted to characterizing and understanding processes controlling the transport and fate of these organic contaminants and the effectiveness of natural attenuation, bioremediation, and other remedial technologies. These contributions include studies of NAPL flow, entrapment, and interphase mass transfer that have advanced from the analysis of simple systems with uniform properties and equilibrium contaminant phase partitioning to complex systems with pore-scale and macroscale heterogeneity and rate-limited interphase mass transfer. Understanding of the fate of dissolved organic plumes has advanced from when biodegradation was thought to require oxygen to recognition of the importance of anaerobic biodegradation, multiple redox zones, microbial enzyme kinetics, and mixing of organic contaminants and electron acceptors at plume fringes. Challenges remain in understanding the impacts of physical, chemical, biological, and hydrogeological heterogeneity, pore-scale interactions, and mixing on the fate of organic contaminants. Further effort is needed to successfully incorporate these processes into field-scale predictions of transport and fate. Regulations have greatly reduced the frequency of new point-source contamination problems; however, remediation at many legacy plumes remains challenging. A number of fields of current relevance are benefiting from research advances from point-source contaminant research. These include geologic carbon sequestration, nonpoint-source contamination, aquifer storage and recovery, the fate of contaminants from oil and gas development, and enhanced bioremediation.

  12. Estimating the fates of organic contaminants in an aquifer using QSAR.

    Science.gov (United States)

    Lim, Seung Joo; Fox, Peter

    2013-01-01

    The quantitative structure activity relationship (QSAR) model, BIOWIN, was modified to more accurately estimate the fates of organic contaminants in an aquifer. The predictions from BIOWIN were modified to include oxidation and sorption effects. The predictive model therefore included the effects of sorption, biodegradation, and oxidation. A total of 35 organic compounds were used to validate the predictive model. The majority of the ratios of predicted half-life to measured half-life were within a factor of 2 and no ratio values were greater than a factor of 5. In addition, the accuracy of estimating the persistence of organic compounds in the sub-surface was superior when modified by the relative fraction adsorbed to the solid phase, 1/Rf, to that when modified by the remaining fraction of a given compound adsorbed to a solid, 1 - fs.

  13. The Fate of Trace Contaminants in a Crewed Spacecraft Cabin Environment

    Science.gov (United States)

    Perry, Jay L.; Kayatin, Matthew J.

    2016-01-01

    Trace chemical contaminants produced via equipment offgassing, human metabolic sources, and vehicle operations are removed from the cabin atmosphere by active contamination control equipment and incidental removal by other air quality control equipment. The fate of representative trace contaminants commonly observed in spacecraft cabin atmospheres is explored. Removal mechanisms are described and predictive mass balance techniques are reviewed. Results from the predictive techniques are compared to cabin air quality analysis results. Considerations are discussed for an integrated trace contaminant control architecture suitable for long duration crewed space exploration missions.

  14. Modelling micro-pollutant fate in wastewater collection and treatment systems: status and challenges

    DEFF Research Database (Denmark)

    Plósz, Benedek G.; Benedetti, L.; Daigger, G. T.

    2013-01-01

    of such models. In brief, we conclude that, in order to predict the contaminant removal in centralised treatment works, considering the dramatic improvement in monitoring and detecting MPs in wastewater, more mechanistic approaches should be used to complement conventional, heuristic and other fate models...

  15. The Barents Sea, distribution and fate of radioactive contaminants

    International Nuclear Information System (INIS)

    Foeyn, L.; Heldal, H.E.; Svaeren, I.

    1999-01-01

    Possible contamination in the marine food webs of the Barents Sea may be a problem for a rational harvest of the area. Radioactive contamination has in this context a special public impact as even traces of radioactivity seems to be considered by the public to be a real danger. It is therefor of special importance, from a regulatory and fisheries point of view, to accumulate knowledge of the behaviour of radioactive elements in the marine ecosystems of the Barents Sea in order to place this contamination in proper and realistic proportions

  16. Building 235-F Goldsim Fate And Transport Model

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, G. A.; Phifer, M. A.

    2012-09-14

    Savannah River National Laboratory (SRNL) personnel, at the request of Area Completion Projects (ACP), evaluated In-Situ Disposal (ISD) alternatives that are under consideration for deactivation and decommissioning (D&D) of Building 235-F and the Building 294-2F Sand Filter. SRNL personnel developed and used a GoldSim fate and transport model, which is consistent with Musall 2012, to evaluate relative to groundwater protection, ISD alternatives that involve either source removal and/or the grouting of portions or all of 235-F. This evaluation was conducted through the development and use of a Building 235-F GoldSim fate and transport model. The model simulates contaminant release from four 235-F process areas and the 294-2F Sand Filter. In addition, it simulates the fate and transport through the vadose zone, the Upper Three Runs (UTR) aquifer, and the Upper Three Runs (UTR) creek. The model is designed as a stochastic model, and as such it can provide both deterministic and stochastic (probabilistic) results. The results show that the median radium activity concentrations exceed the 5 ?Ci/L radium MCL at the edge of the building for all ISD alternatives after 10,000 years, except those with a sufficient amount of inventory removed. A very interesting result was that grouting was shown to basically have minimal effect on the radium activity concentration. During the first 1,000 years grouting may have some small positive benefit relative to radium, however after that it may have a slightly deleterious effect. The Pb-210 results, relative to its 0.06 ?Ci/L PRG, are essentially identical to the radium results, but the Pb-210 results exhibit a lesser degree of exceedance. In summary, some level of inventory removal will be required to ensure that groundwater standards are met.

  17. Building 235-F Goldsim Fate And Transport Model

    International Nuclear Information System (INIS)

    Taylor, G. A.; Phifer, M. A.

    2012-01-01

    Savannah River National Laboratory (SRNL) personnel, at the request of Area Completion Projects (ACP), evaluated In-Situ Disposal (ISD) alternatives that are under consideration for deactivation and decommissioning (D and D) of Building 235-F and the Building 294-2F Sand Filter. SRNL personnel developed and used a GoldSim fate and transport model, which is consistent with Musall 2012, to evaluate relative to groundwater protection, ISD alternatives that involve either source removal and/or the grouting of portions or all of 235-F. This evaluation was conducted through the development and use of a Building 235-F GoldSim fate and transport model. The model simulates contaminant release from four 235-F process areas and the 294-2F Sand Filter. In addition, it simulates the fate and transport through the vadose zone, the Upper Three Runs (UTR) aquifer, and the Upper Three Runs (UTR) creek. The model is designed as a stochastic model, and as such it can provide both deterministic and stochastic (probabilistic) results. The results show that the median radium activity concentrations exceed the 5 ρCi/L radium MCL at the edge of the building for all ISD alternatives after 10,000 years, except those with a sufficient amount of inventory removed. A very interesting result was that grouting was shown to basically have minimal effect on the radium activity concentration. During the first 1,000 years grouting may have some small positive benefit relative to radium, however after that it may have a slightly deleterious effect. The Pb-210 results, relative to its 0.06 ρCi/L PRG, are essentially identical to the radium results, but the Pb-210 results exhibit a lesser degree of exceedance. In summary, some level of inventory removal will be required to ensure that groundwater standards are met

  18. Occurrence, fate and transformation of emerging contaminants in water: An overarching review of the field.

    Science.gov (United States)

    Wilkinson, John; Hooda, Peter S; Barker, James; Barton, Stephen; Swinden, Julian

    2017-12-01

    Many of the products and drugs used commonly contain chemical components which may persist through sewage treatment works (STW) and eventually enter the aquatic environment as parent compounds, metabolites, or transformation products. Pharmaceuticals and personal care products (PPCPs) and other emerging contaminants (ECs) have been detected in waters (typically ng/L) as well as more recently bound to sediment and plastic particles (typically ng/g). Despite significant advancement of knowledge since the late 1990s, the fate of these contaminants/transformation products once introduced into the aquatic environment remains relatively unresolved. This review provides a unique focus on the fate of seven major groups of PPCPs/ECs in the aquatic environment, which is frequently not found in similar works which are often compound or topic-specific and limited in background knowledge. Key findings include: a) some replacements for regulation precluded/banned chemicals may be similarly persistent in the environment as those they replace, b) the adsorption of potentially bioactive chemicals to micro- and nanoplastics is a significant topic with risks to aquatic organisms potentially greater than previously thought, and c) micro-/nanoplastics are likely to remain of significant concern for centuries after regulatory limitations on their use become active due to the slow degradation of macro-plastics into smaller components. An interdisciplinary perspective on recent advances in the field is presented here in a unique way which highlights both the principle science and direction of research needed to elucidate the fate and transport patterns of aquatic PPCPs/ECs. Unlike similar reviews, which are often topic-specific, here we aim to present an overarching review of the field with focus on the occurrence, transformation and fate of emerging contaminants. Environmental presence of seven major classes of contaminants (analygesics, antibiotics, antineoplastics, beta

  19. Emerging organic contaminants in sludges. Analysis, fate and biological treatment

    Energy Technology Data Exchange (ETDEWEB)

    Vicent, Teresa [Univ. Autonoma de Barcelona, Bellaterra (Spain). Chemical Engineering Dept.; Eljarrat, Ethel [IDAEA-CSIC, Barcelona (Spain). Dept. of Environmental Chemistry; Caminal, Gloria [IQAC-CSIC, Barcelona (Spain). Grupo de biocatalisis Aplicada y biodegradacion; Barcelo, Damia (eds.) [IDAEA-CSIC, Barcelona (Spain). Dept. of Environmental Chemistry; Girona Univ. (Spain). Catalan Inst. for Water Research

    2013-07-01

    A comprehensive review. Written by experts. Richly illustrated. There are a growing number of new chemicals in the environment that represent an ascertained or potential risk. Many of them can be found in sewage sludge and are the subject of this volume. Experts in the field highlight their occurrence and fate, risks of biosolid use, advanced chemical analysis methods, and degradation techniques with a special focus on biodegradation using fungi. In the final chapter conclusions and trends are offered as a point of departure for future studies. The double-disciplinary approach combining environmental analysis and engineering makes the book a valuable and comprehensive source of information for a broad audience, such as environmental chemists and engineers, biotechnologists, ecotoxicologists and professionals responsible for waste and water management.

  20. Aquatic Environmental Contamination: The fate of Asejire Lake in ...

    African Journals Online (AJOL)

    A study of catfish from Asejire Lake (located at the outskirt of Ibadan, a major city in Oyo State of South-West Nigeria) was carried out to assess the level of contamination due to effluents from various industries in Ibadan, Oyo State particularly the Nigerian Bottling Company, Plc (NBC). The industrial site is located close to ...

  1. Occurrence, fate and transformation of emerging contaminants in water: An overarching review of the field

    International Nuclear Information System (INIS)

    Wilkinson, John; Hooda, Peter S.; Barker, James; Barton, Stephen; Swinden, Julian

    2017-01-01

    Many of the products and drugs used commonly contain chemical components which may persist through sewage treatment works (STW) and eventually enter the aquatic environment as parent compounds, metabolites, or transformation products. Pharmaceuticals and personal care products (PPCPs) and other emerging contaminants (ECs) have been detected in waters (typically ng/L) as well as more recently bound to sediment and plastic particles (typically ng/g). Despite significant advancement of knowledge since the late 1990s, the fate of these contaminants/transformation products once introduced into the aquatic environment remains relatively unresolved. This review provides a unique focus on the fate of seven major groups of PPCPs/ECs in the aquatic environment, which is frequently not found in similar works which are often compound or topic-specific and limited in background knowledge. Key findings include: a) some replacements for regulation precluded/banned chemicals may be similarly persistent in the environment as those they replace, b) the adsorption of potentially bioactive chemicals to micro- and nanoplastics is a significant topic with risks to aquatic organisms potentially greater than previously thought, and c) micro-/nanoplastics are likely to remain of significant concern for centuries after regulatory limitations on their use become active due to the slow degradation of macro-plastics into smaller components. An interdisciplinary perspective on recent advances in the field is presented here in a unique way which highlights both the principle science and direction of research needed to elucidate the fate and transport patterns of aquatic PPCPs/ECs. Unlike similar reviews, which are often topic-specific, here we aim to present an overarching review of the field with focus on the occurrence, transformation and fate of emerging contaminants. Environmental presence of seven major classes of contaminants (analygesics, antibiotics, antineoplastics, beta

  2. Fate of antimony and arsenic in contaminated waters at the abandoned Su Suergiu mine (Sardinia, Italy)

    Science.gov (United States)

    Cidu, Rosa; Dore, Elisabetta; Biddau, Riccardo; Nordstrom, D. Kirk

    2018-01-01

    We investigated the fate of Sb and As downstream of the abandoned Su Suergiu mine (Sardinia, Italy) and surrounding areas. The mined area is a priority in the Sardinian remediation plan for contaminated sites due to the high concentrations of Sb and As in the mining-related wastes, which may impact the Flumendosa River that supplies water for agriculture and domestic uses. Hydrogeochemical surveys conducted from 2005 to 2015 produced time-series data and downstream profiles of water chemistry at 46 sites. Water was sampled at: springs and streams unaffected by mining; adits and streams in the mine area; drainage from the slag heaps; stream water downstream of the slag drainages; and the Flumendosa River downstream from the confluence of the contaminated waters. At specific sites, water sampling was repeated under different flow conditions, resulting in a total of 99 samples. The water samples were neutral to slightly alkaline. Elevated Sb (up to 30 mg L−1) and As (up to 16 mg L−1) concentrations were observed in water flowing from the slag materials from where the Sb ore was processed. These slag materials were the main Sb and As source at Su Suergiu. A strong base, Na-carbonate, from the foundry wastes, had a major influence on mobilizing Sb and As. Downstream contamination can be explained by considering that: (1) the predominant aqueous species, Sb(OH)6 − and HAsO4 −2, are not favored in sorption processes at the observed pH conditions; (2) precipitation of Sb- and As-bearing solid phases was not observed, which is consistent with modeling results indicating undersaturation; and (3) the main decrease in dissolved Sb and As concentrations was by dilution. Dissolved As concentrations in the Flumendosa River did not generally exceed the EU limit of 10 µg L−1, whereas dissolved Sb in the river downstream of the contamination source always exceeded the EU limit of 5 µg L−1. Recent actions aimed at retaining runoff from the slag heaps are apparently

  3. Modeling for Airborne Contamination

    International Nuclear Information System (INIS)

    F.R. Faillace; Y. Yuan

    2000-01-01

    The objective of Modeling for Airborne Contamination (referred to from now on as ''this report'') is to provide a documented methodology, along with supporting information, for estimating the release, transport, and assessment of dose to workers from airborne radioactive contaminants within the Monitored Geologic Repository (MGR) subsurface during the pre-closure period. Specifically, this report provides engineers and scientists with methodologies for estimating how concentrations of contaminants might be distributed in the air and on the drift surfaces if released from waste packages inside the repository. This report also provides dose conversion factors for inhalation, air submersion, and ground exposure pathways used to derive doses to potentially exposed subsurface workers. The scope of this report is limited to radiological contaminants (particulate, volatile and gaseous) resulting from waste package leaks (if any) and surface contamination and their transport processes. Neutron activation of air, dust in the air and the rock walls of the drift during the preclosure time is not considered within the scope of this report. Any neutrons causing such activation are not themselves considered to be ''contaminants'' released from the waste package. This report: (1) Documents mathematical models and model parameters for evaluating airborne contaminant transport within the MGR subsurface; and (2) Provides tables of dose conversion factors for inhalation, air submersion, and ground exposure pathways for important radionuclides. The dose conversion factors for air submersion and ground exposure pathways are further limited to drift diameters of 7.62 m and 5.5 m, corresponding to the main and emplacement drifts, respectively. If the final repository design significantly deviates from these drift dimensions, the results in this report may require revision. The dose conversion factors are further derived by using concrete of sufficient thickness to simulate the drift

  4. Overview of research and development in subsurface fate and transport modeling

    International Nuclear Information System (INIS)

    Sullivan, T.M.; Chehata, M.

    1995-05-01

    The US Department of Energy is responsible for the remediation of over 450 different subsurface-contaminated sites. Contaminant plumes at these sites range in volume from several to millions of cubic yards. The concentration of contaminants also ranges over several orders of magnitude. Contaminants include hazardous wastes such as heavy metals and organic chemicals, radioactive waste including tritium, uranium, and thorium, and mixed waste, which is a combination of hazardous and radioactive wastes. The physical form of the contaminants includes solutes, nonaqueous phase liquids (NAPLs), and vapor phase contaminants such as volatilized organic chemicals and radon. The subject of contaminant fate and transport modeling is multi-disciplinary, involving hydrology, geology, microbiology, chemistry, applied mathematics, computer science, and other areas of expertise. It is an issue of great significance in the United States and around the world. As such, many organizations have substantial programs in this area. In gathering data to prepare this report, a survey was performed of research and development work that is funded by US government agencies to improve the understanding and mechanistic modeling of processes that control contaminant movement through subsurface systems. Government agencies which fund programs that contain fate and transport modeling components include the Environmental Protection Agency, Nuclear Regulatory Commission, Department of Agriculture, Department of Energy, National Science Foundation, Department of Defense, United States Geological Survey, and National Institutes of Health

  5. Pyrolytic fate of piperidinocyclohexanecarbonitrile, a contaminant of phencyclidine, during smoking

    International Nuclear Information System (INIS)

    Lue, L.P.; Scimeca, J.A.; Thomas, B.F.; Martin, B.R.

    1988-01-01

    The pyrolysis products of 1-(1-piperidino)cyclo-hexanecarbonitrile (PCC), the major contaminant of illicit phencyclidine (PCP), have not been previously reported. In order to quantify PCC in mainstream smoke as well as to identify the pyrolysis products, [ 3 H]piperidino-[ 14 C]cyano-PCC was synthesized. Marijuana placebo cigarettes were impregnated with this double-labeled PCC and burned with an apparatus that simulated smoking. The mainstream smoke was passed through a series of traps containing glass wool, H 2 SO 4 , or NaOH. Approximately 75% of the 3 H was collected in these traps, and 46, 11, and 5% of the 14 C was found in the glass wool, H 2 SO 4 , and NaOH traps, respectively. Contents of the traps were analyzed by GC/MS. The glass wool trap contained 1-(1-piperidino)-1-cyclo-hexene, PCC, piperidine, and N-acetylpiperidine, and cyanide ion was detected in all three traps. Approximately 47% of the PCC was found intact in mainstream smoke. Approximately 58% was cleaved to form cyanide and 1-(1-piperidino)-1-cyclohexene. The latter was further broken down to cyclohexanone (which represented 21% of the starting material), piperidine (29%), and N-acetylpiperidine (7%), and about 2% remained intact

  6. Predicting the Fate and Effects of Resuspended Metal Contaminated Sediments

    Science.gov (United States)

    2015-12-23

    there are 729 possible parameter combinations. Visual Basic for Applications ( VBA ) code, accessible within Microsoft Excel, was used to generate the...program code included as a Visual Basic for Applications ( VBA ) enabled macro. Model calculations for bedded sediment included acid-base chemistry and...included as a VBA embedded macro. In the model, FeS(s) is oxidized to Fe2+ and S8(s) following second- order kinetics where the FeS(s) oxidation rate is a

  7. Modelling the fate of organic micropollutants in stormwater ponds

    DEFF Research Database (Denmark)

    Vezzaro, Luca; Eriksson, Eva; Ledin, Anna

    2011-01-01

    ). The four simulated organic stormwater MP (iodopropynyl butylcarbamate — IPBC, benzene, glyphosate and pyrene) were selected according to their different urban sources and environmental fate. This ensures that the results can be extended to other relevant stormwater pollutants. All three models use......Urban water managers need to estimate the potential removal of organic micropollutants (MP) in stormwater treatment systems to support MP pollution control strategies. This study documents how the potential removal of organic MP in stormwater treatment systems can be quantified by using multimedia...... models. The fate of four different MP in a stormwater retention pond was simulated by applying two steady-state multimedia fate models (EPI Suite and SimpleBox) commonly applied in chemical risk assessment and a dynamic multimedia fate model (Stormwater Treatment Unit Model for Micro Pollutants — STUMP...

  8. Fate of Airborne Contaminants in Okefenokee National Wildlife Refuge

    Science.gov (United States)

    Winger, P.V.; Lasier, P.J.

    1997-01-01

    weight in liver and kidney, and raccoons (Procyon lotor) >16 ?g/g dry weight in the liver and kidney. Lead averaged 1 ?g/L in rainfall, 6.6 ?g/L in surface water, 9.8 ?g/L in pore water, 12.3 ?g/g in floc and 12.5 ?g/g in sediments. Lead in fish muscle was ~0.1 ?g/g and >1.2 ?g/g in bone, alligator kidney had 1.5 ?g/g lead and liver had 3.8 ?g/g; raccoon kidney and liver averaged about 1 ?g/g. Historical patterns of mercury deposition based on 210Pb aging of the core sample showed mercury increased from pre-1800 concentrations of 500 ng/g in the 1950s, with a subsequent decline to current levels. Lead concentrations in the core sample followed a similar pattern as that of mercury. Okefenokee Swamp serves as a sump for the cations and anions deposited through rainfall. Although mercury and lead levels in the biota are not currently acutely hazardous, concentrations are high enough to cause adverse chronic effects on behavioral, physiological or reproductive functions of resident biota, especially piscivorous species. To protect trust resources associated with the Refuge, activities and developments in the airshed that have the potential to increase atmospheric contamination, especially for lead and mercury, should be curtailed.

  9. Modeling contaminant plumes in fractured limestone aquifers

    DEFF Research Database (Denmark)

    Mosthaf, Klaus; Brauns, Bentje; Fjordbøge, Annika Sidelmann

    Determining the fate and transport of contaminant plumes from contaminated sites in limestone aquifers is important because they are a major drinking water resource. This is challenging because they are often heavily fractured and contain chert layers and nodules, resulting in a complex transport...... model. The paper concludes with recommendations on how to identify and employ suitable models to advance the conceptual understanding and as decision support tools for risk assessment and the planning of remedial actions....... behavior. Improved conceptual models are needed for this type of site. Here conceptual models are developed by combining numerical models with field data. Several types of fracture flow and transport models are available for the modeling of contaminant transport in fractured media. These include...... the established approaches of the equivalent porous medium, discrete fracture and dual continuum models. However, these modeling concepts are not well tested for contaminant plume migration in limestone geologies. Our goal was to develop and evaluate approaches for modeling the transport of dissolved contaminant...

  10. Scaling of the movement and fate of contaminant releases in the vadose zone by centrifuge modelling; Reproduction de la migration et de l'evolution de polluants rejetes dans la zone insaturee par centrifugation

    Energy Technology Data Exchange (ETDEWEB)

    Knight, M.A. [Waterloo Univ., ON (Canada). Dept. of Civil Engineering; Cooke, A.B. [New Brunswick Univ., Dept. of Civil Engineering, Fredericton, NB (Canada); Mitchell, R.J. [Queen' s Univ., Dept. of Civil Engineering, Kingston, ON (Canada)

    2000-07-01

    The release of contaminants into partially water-wet porous media is a complex problem to simulate in the laboratory and numerically. Research into the application of a geo-environmental centrifuge to simulate non-reactive contaminant releases in partially water-wet sand was performed at Queen's University in Kingston, Ontario. This paper highlights results of the Queen's University centrifuge contaminant release studies from 1990 to present. Results of this study support the conclusion that a geo-environmental centrifuge can be used to replicate the complex behaviour of non-reactive contaminant releases into water-wet sand provided that attention is paid to the modelling materials and modelling scales. (authors)

  11. Assessment of Contaminated Brine Fate and Transport in MB139 at WIPP

    Energy Technology Data Exchange (ETDEWEB)

    Kuhlman, Kristopher L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Applied Systems Analysis and Research Dept.; Malama, Bwalya [Sandia National Lab., Carlsbad, NM (United States). Performance Assessment Dept.

    2014-07-01

    Following the radionuclide release event of February 14, 2014 at the Waste Isolation Pilot Plant (WIPP), actinide contamination has been found on the walls and floor in Panel 7 as a result of a release in Room 7 of Panel 7. It has been proposed to decontaminate Panel 7 at the WIPP by washing contaminated surfaces in the underground with fresh water. A cost-effective cleanup of this contamination would allow for a timely return to waste disposal operations at WIPP. It is expected that the fresh water used to decontaminate Panel 7 will flow as contaminated brine down into the porosity of the materials under the floor – the run-of-mine (ROM) salt above Marker Bed 139 (MB139) and MB139 itself – where its fate will be controlled by the hydraulic and transport properties of MB139. Due to the structural dip of MB139, it is unlikely that this brine would migrate northward towards the Waste-Handling Shaft sump. A few strategically placed shallow small-diameter observation boreholes straddling MB139 would allow for monitoring the flow and fate of this brine after decontamination. Additionally, given that flow through the compacted ROM salt floor and in MB139 would occur under unsaturated (or two-phase) conditions, there is a need to measure the unsaturated flow properties of crushed WIPP salt and salt from the disturbed rock zone (DRZ).

  12. Trace contaminant concentration affects mineral transformation and pollutant fate in hydroxide-weathered Hanford sediments

    International Nuclear Information System (INIS)

    Perdrial, Nicolas; Rivera, Nelson; Thompson, Aaron; O’Day, Peggy A.; Chorover, Jon

    2011-01-01

    Highlights: ► Fate of Sr, Cs and I tracked during hydroxide-weathering of sediments. ► pCO 2 and contaminant concentration affected mineral transformation. ► Sodalite/cancrinite formed at μM levels, chabazite at mM levels. ► Absence of CO 2 resulted in calcite dissolution and strätlingite formation. ► Trace contaminant concentrations modified their own sequestration path. - Abstract: Prior work has shown that when silicaceous sediments are infused with caustic radioactive waste, contaminant fate is tightly coupled to ensuing mineral weathering reactions. However, the effects of local aqueous geochemical conditions on these reactions are poorly studied. Thus, we varied contaminant concentration and pCO 2 during the weathering of previously uncontaminated Hanford sediments over 6 months and 1 year in a solution of caustic waste (pH 13, high ionic strength). Co-contaminants Sr, Cs and I were added at “low” (Cs/Sr: 10 −5 m; I: 10 −7 m) and “high” (Cs/Sr: 10 −3 m; I: 10 −5 m) concentrations, and headspace was held at atmospheric or undetectable ( 2 partial pressure. Solid phase characterization revealed the formation of the zeolite chabazite in “high” samples, whereas feldspathoids, sodalite and cancrinite, were formed preferentially in “low” samples. Sr, Cs and I were sequestered in all reacted sediments. Native calcite dissolution in the CO 2 -free treatment drove the formation of strätlingite (Ca 2 Al 2 SiO 7 ·8H 2 O) and diminished availability of Si and Al for feldspathoid formation. Results indicate that pCO 2 and contaminant concentrations strongly affect contaminant speciation in waste-weathered sediments, and are therefore likely to impact reaction product stability under any remediation scenario.

  13. Fate of pesticides in field ditches: the TOXSWA simulation model

    NARCIS (Netherlands)

    Adriaanse, P.I.

    1996-01-01

    The TOXSWA model describes the fate of pesticides entering field ditches by spray drift, atmospheric deposition, surface run-off, drainage or leaching. It considers four processes: transport, transformation, sorption and volatilization. Analytical andnumerical solutions corresponded well. A sample

  14. Modeled Watershed Runoff Associated with Variations in Precipitation Data with Implications for Contaminant Fluxes

    Science.gov (United States)

    Watershed-scale fate and transport models are important tools for estimating the sources, transformation, and transport of contaminants to surface water systems. Precipitation is one of the primary inputs to watershed biogeochemical models, influencing changes in the water budge...

  15. Vadose Zone Contaminant Fate and Transport Analysis for the 216-B-26 Trench

    Energy Technology Data Exchange (ETDEWEB)

    Ward, Andy L.; Gee, Glendon W.; Zhang, Z. F.; Keller, Jason M.

    2004-10-14

    The BC Cribs and Trenches, part of the 200 TW 1 OU waste sites, received about 30 Mgal of scavenged tank waste, with possibly the largest inventory of 99Tc ever disposed to the soil at Hanford and site remediation is being accelerated. The purpose of this work was to develop a conceptual model for contaminant fate and transport at the 216-B-26 Trench site to support identification and development and evaluation of remediation alternatives. Large concentrations of 99Tc high above the water table implicated stratigraphy in the control of the downward migration. The current conceptual model accounts for small-scale stratigraphy; site-specific changes soil properties; tilted layers; and lateral spreading. It assumes the layers are spatially continuous causing water and solutes to move laterally across the boundary if conditions permit. Water influx at the surface is assumed to be steady. Model parameters were generated with pedotransfer functions; these were coupled high resolution neutron moisture logs that provided information on the underlying heterogeneity on a scale of 3 inches. Two approaches were used to evaluate the impact of remedial options on transport. In the first, a 1-D convolution solution to the convective-dispersive equation was used, assuming steady flow. This model was used to predict future movement of the existing plume using the mean and depth dependent moisture content. In the second approach, the STOMP model was used to first predict the current plume distribution followed by its future migration. Redistribution of the 99Tc plume was simulated for the no-action alternative and on-site capping. Hypothetical caps limiting recharge to 1.0, 0.5, and 0.1 mm yr-1 were considered and assumed not to degrade in the long term. Results show that arrival time of the MCLs, the peak arrival time, and the arrival time of the center of mass increased with decreasing recharge rate. The 1-D convolution model is easy to apply and can easily accommodate initial

  16. Modelling the fate of the Tijuana River discharge plume

    Science.gov (United States)

    van Ormondt, M.; Terrill, E.; Hibler, L. F.; van Dongeren, A. R.

    2010-12-01

    After rainfall events, the Tijuana River discharges excess runoff into the ocean in a highly turbid plume. The runoff waters contain large suspended solids concentrations, as well as high levels of toxic contaminants, bacteria, and hepatitis and enteroviruses. Public health hazards posed by the effluent often result in beach closures for several kilometers northward along the U.S. shoreline. A Delft3D model has been set up to predict the fate of the Tijuana River plume. The model takes into account the effects of tides, wind, waves, salinity, and temperature stratification. Heat exchange with the atmosphere is also included. The model consists of a relatively coarse outer domain and a high-resolution surf zone domain that are coupled with Domain Decomposition. The offshore boundary conditions are obtained from the larger NCOM SoCal model (operated by the US Navy) that spans the entire Southern California Bight. A number of discharge events are investigated, in which model results are validated against a wide range of field measurements in the San Diego Bight. These include HF Radar surface currents, REMUS tracks, drifter deployments, satellite imagery, as well as current and temperature profile measurements at a number of locations. The model is able to reproduce the observed current and temperature patterns reasonably well. Under calm conditions, the model results suggest that the hydrodynamics in the San Diego Bight are largely governed by internal waves. During rainfall events, which are typically accompanied by strong winds and high waves, wind and wave driven currents become dominant. An analysis will be made of what conditions determine the trapping and mixing of the plume inside the surfzone and/or the propagation of the plume through the breakers and onto the coastal shelf. The model is now also running in operational mode. Three day forecasts are made every 24 hours. This study was funded by the Office of Naval Research.

  17. Fate modelling of chemical compounds with incomplete data sets

    DEFF Research Database (Denmark)

    Birkved, Morten; Heijungs, Reinout

    2011-01-01

    Impact assessment of chemical compounds in Life Cycle Impact Assessment (LCIA) and Environmental Risk Assessment (ERA) requires a vast amount of data on the properties of the chemical compounds being assessed. These data are used in multi-media fate and exposure models, to calculate risk levels...... in an approximate way. The idea is that not all data needed in a multi-media fate and exposure model are completely independent and equally important, but that there are physical-chemical and biological relationships between sets of chemical properties. A statistical model is constructed to underpin this assumption...... and other indicators. ERA typically addresses one specific chemical, but in an LCIA, the number of chemicals encountered may be quite high, up to hundreds or thousands. This study explores the development of meta-models, which are supposed to reflect the “true”multi-media fate and exposure model...

  18. Data on occurrence and fate of emerging contaminants in a urbanised area

    Directory of Open Access Journals (Sweden)

    Sara Castiglioni

    2018-04-01

    Full Text Available These data and analyses support the research article “Mass balance of emerging contaminants in the water cycle of an highly urbanized and industrialized area of Italy” by Castiglioni et al. (2018 [1].The occurrence of 80 emerging contaminats in waste and surface water was investigated in an highly urbanised area of Italy, the River Lambro basin. The data presented here include: (1 concentrations in untreated and treated wastewater of different wastewater treatment plants (WWTPs; (2 concentrations in surface water collected along the river Lambro, in the north and south of the city of Milan (main urban center in the area. These concentrations indicate the distribution and fate of emerging contaminats in the environment.

  19. Environmental fate of depleted uranium at three sites contaminated during the balkan conflict

    International Nuclear Information System (INIS)

    Radenkovic, M.; Joksic, J.; Todorovic, D.; Kovacevic, M.

    2006-01-01

    A study on depleted uranium fate in the sites contaminated during the 1999 war conflict in Serbia was conducted in phases until the clean up activities were completed. The ammunition remains found at the locations in the surface soil were collected in the first phase during the radiation survey of the affected areas. The most of depleted uranium penetrators left buried deep into the ground exposed to the weathering and corrosion processes. The contamination level in the air, water, soil and bio -indicators was controlled all the time by routine gamma and alpha spectrometry measurements. Depleted uranium migration was studied through the soil profile surrounding the penetrator during the 2001 at the Bratoselce location showing the contamination level fall to the 1% of its value at approximately 15 cm distance to the source. The samples taken from the soil layers at different distances in the profile are subjected to a modified Tessiers five-step sequential extraction procedure. The uranium and heavy metals contents were determined in the obtained fractions. Results have specified carbonates and iron hydrous-oxides as the most probable substrates for uranium physical/chemical associations formed in the soil for the time elapsed. A very strong dependence of substrate onto contamination level was found. The correlation of uranium and other heavy metals was obtained. The 234 U/ 238 U and 235 U/ 238 U ratios are determined in extracts by alpha spectrometry after appropriate radiochemical separation procedure and thin alpha sources electroplating. The analysis has shown the share of depleted in total uranium content in exchangeable, carbonate, hydrous or crystalline iron/manganese, organic and residue phases indicating the bioavailability of depleted uranium present in the soil. The results are discussed related to detailed geochemical analysis of the particular soil type common for this region. Depleted uranium content in soil samples taken at the locations after the

  20. Estimation of the fate of microbial water-quality contaminants in a South-African river

    CSIR Research Space (South Africa)

    Hohls, D

    1995-01-01

    Full Text Available The aim of this study was to evaluate the validity of assumptions, regarding assimilative capacity for microbial contaminants, implicit in microbial water quality management in South Africa. A one dimensional steady state stream water quality model...

  1. The fate of ammonium-nitrogen in leachate contaminated groundwater system

    Science.gov (United States)

    M, Atta; W, Yaacob W. Z.

    2015-09-01

    Hydrogeochemical conditions influences strongly on ammonium attenuation and ultimately its long-term fate in the subsurface. The purpose of this work was to identify the conditions influencing the persistence of ammonium-nitrogen in the contaminated groundwater system of Taman Beringin ex-landfill site in Malaysia. This study applies hydrogeochemical data extractions techniques of redox sensitive groundwater species from previously installed monitoring wells between February to August 2014. Electrochemical measurements of Oxidation Reduction Potential (ORP) were collected successively with several other physicochemical parameters including pH, Temperature, and DO in the landfill site. The result show that the mean concentration of NH4-N, NO2-N, and NO3-N are: (47.98±81.83 mg/L), (0.17±0.22 mg/L) and (6.11± 8.74 mg/L) respectively. The mean range of redox potentials (-10.25±128.28 mV) delineated areas of strongly reducing conditions. Based on the evaluation of the data, NH4-N, NO2-N and NO3-N accounts for 89.98%, 0.28% and 9.7% respectively of the groundwater concentration of total nitrogen, while a miniature proportion of oxidisable nitrogen concentrations (10.02%) are attributed t o biological process of nitrification. Relationship exist between data set NH4-N and ORP (r = -0.65009). It was concluded that although biological attenuation processes are effectively decreasing the ammonia concentrations in some of the wells, the processes are inhibited by chemical conditions that were attributed to Fe reducing conditions as observed in some of the wells. NH4-N will remain persistent and at elevated levels as much as the conditions persist and contributes in determining the fate of NH4-N in the Taman Beringin ground water system.

  2. Review: Selenium contamination, fate, and reactive transport in groundwater in relation to human health

    Science.gov (United States)

    Bailey, Ryan T.

    2017-06-01

    Selenium (Se) is an essential micro-nutrient for humans, but can be toxic at high levels of intake. Se deficiency and Se toxicity are linked with serious diseases, with some regions worldwide experiencing Se deficiency due to Se-poor rocks and soils and other areas dealing with Se toxicity due to the presence of Se-enriched geologic materials. In addition, Se is consumed primarily through plants that take up Se from soil and through animal products that consume these plants. Hence, the soil and groundwater system play important roles in determining the effect of Se on human health. This paper reviews current understanding of Se fate and transport in soil and groundwater systems and its relation to human health, with a focus on alluvial systems, soil systems, and the interface between alluvial systems and Cretaceous shale that release Se via oxidation processes. The review focuses first on the relation between Se and human health, followed by a summary of Se distribution in soil-aquifer systems, with an emphasis on the quantitative relationship between Se content in soil and Se concentration in underlying groundwater. The physical, chemical, and microbial processes that govern Se fate and transport in subsurface systems then are presented, followed by numerical modeling techniques used to simulate these processes in study regions and available remediation strategies for either Se-deficient or Se-toxic regions. This paper can serve as a guide to any field, laboratory or modeling study aimed at assessing Se fate and transport in groundwater systems and its relation to human health.

  3. Developing climatic scenarios for pesticide fate modelling in Europe

    International Nuclear Information System (INIS)

    Blenkinsop, S.; Fowler, H.J.; Dubus, I.G.; Nolan, B.T.; Hollis, J.M.

    2008-01-01

    A climatic classification for Europe suitable for pesticide fate modelling was constructed using a 3-stage process involving the identification of key climatic variables, the extraction of the dominant modes of spatial variability in those variables and the use of k-means clustering to identify regions with similar climates. The procedure identified 16 coherent zones that reflect the variability of climate across Europe whilst maintaining a manageable number of zones for subsequent modelling studies. An analysis of basic climatic parameters for each zone demonstrates the success of the scheme in identifying distinct climatic regions. Objective criteria were used to identify one representative 26-year daily meteorological series from a European dataset for each zone. The representativeness of each series was then verified against the zonal classifications. These new FOOTPRINT climate zones provide a state-of-the-art objective classification of European climate complete with representative daily data that are suitable for use in pesticide fate modelling. - The FOOTPRINT climatic zones provide an objective climatic classification and daily climate series that may be used for the modelling of pesticide fate across Europe

  4. Environmental fate of rice paddy pesticides in a model ecosystem.

    Science.gov (United States)

    Tomizawa, C; Kazano, H

    1979-01-01

    The distribution and metabolic fate of several rice paddy pesticides were evaluated in a modified model ecosystem. Among the three BHC isomers, beta-isomer was the most stable and bioconcentrated in all of the organisms. Alpha- and gamma-isomers were moderately persistent and degraded to some extent during the 33 day period. Disulfoton was relatively persistent due to the transformation to its oxidation products. Pyridaphenthion was fairly biodegradable. N-Phenyl maleic hydrazide derived from the hydrolysis of pyridaphenthion was not detected in the organisms though it was found in the aquarium water after 33 days. Cartap and edifenphos were considerably biodegradable, and the ratio of the conversion to water soluble metabolites was very high. There was a distinct difference in the persistence of Kitazin P and edifenphos in the aquarium water. It appeared that the hydrolysis rate of the pesticides affected their fate in the organisms. PCP appeared to be moderately biodegradable. CNP was considerably stable and stored in the organisms though the concentration in the aquarium water was relatively low. The persistence and distribution of the pesticides in the model ecosystem were dependent on their chemical structures. In spite of the limitation derived from short experimental period, the model ecosystem may be applicable for predicting the environmental fate of pesticides.

  5. Effect of biotic lignin decomposition on the fate of radiocesium-contaminated plant litter

    Energy Technology Data Exchange (ETDEWEB)

    Hashida, Shin-nosuke; Yoshihara, Toshihiro [Environmental Science Research Laboratory, Central Research Institute of Electric Power Industry, Abiko 1646, Abiko-shi, Chiba (Japan)

    2014-07-01

    Fungi are the most important components in the fate of radionuclides deposited in forests following the Fukushima nuclear accident. Pruned woody parts and litter contain a considerable amount of radiocesium. Studies that focused on the migration of radiocesium have demonstrated that its ecological half-life is lower in the humus layer than in the deeper soil zone, suggesting a substantial contribution of litter decomposition on the mobilization of radiocesium. Furthermore, white-rot fungi appear to play a key role in the mobilization of radiocesium because they are the primary source of enzymes necessary to degrade the litter organic matter. Cell walls are the primary component of plant litter; they are composed of cellulose, hemi-cellulose, and lignin. Although cellulose is the most abundant organic compound in litter, the strength of the cell wall is limited by rigid hemi-cellulose complexes that protect the surrounding cellulose microfibrils. In the cell wall, lignin fills the spaces between cellulose and hemi-cellulose; thus, the biotic degradation of lignin could be considered a primary step in litter decomposition. The contribution of the amount of lignin on the fate of radiocesium has not been identified, which limits the possibility of predicting the effect of the bacterial community structure that determines the biodegradation activity of lignin on the vertical migration of radiocesium. Here, we directly addressed the role of lignin as controller of the distribution of radiocesium in soil-ecosystems. Radiocesium-contaminated litter samples were collected with traps set under the target stands, i.e., Japanese flowering cherry trees (Prunus x yedoensis cv. Somei-Yoshino) and Japanese cedars (Cryptomeria japonica) at Abiko (Laboratory of Environmental Science, CRIEPI) located approximately 200 km SSW from the Fukushima Daiichi Nuclear Power Plant in 2011. The litter samples were inoculated with white-rot fungi having ligno-celluloses-degrading activity, i

  6. Risk assessment framework of fate and transport models applied to hazardous waste sites

    International Nuclear Information System (INIS)

    Hwang, S.T.

    1993-06-01

    Risk assessment is an increasingly important part of the decision-making process in the cleanup of hazardous waste sites. Despite guidelines from regulatory agencies and considerable research efforts to reduce uncertainties in risk assessments, there are still many issues unanswered. This paper presents new research results pertaining to fate and transport models, which will be useful in estimating exposure concentrations and will help reduce uncertainties in risk assessment. These developments include an approach for (1) estimating the degree of emissions and concentration levels of volatile pollutants during the use of contaminated water, (2) absorption of organic chemicals in the soil matrix through the skin, and (3) steady state, near-field, contaminant concentrations in the aquifer within a waste boundary

  7. Fate of cadmium in the rhizosphere of Arabidopsis halleri grown in a contaminated dredged sediment

    Energy Technology Data Exchange (ETDEWEB)

    Huguet, Séphanie, E-mail: huguet.st@gmail.com [ISTerre, Université Grenoble Alpes, CNRS, F-38041 Grenoble (France); Laboratoire de Chimie Analytique Bio-Inorganique et Environnement (LCABIE), Institut des sciences analytiques et de physico-chimie pour l' environnement et les matériaux (IPREM UMR 5254), Université de Pau et des Pays de l' Adour and CNRS, Hélioparc, 2 Av. Pierre Angot, 64053 Pau Cedex 9 (France); INERIS, Parc technologique Alata, 60550 Verneuil-en-Halatte (France); EMDouai, MPE-GCE, 930 Boulevard Lahure, 59500 Douai (France); Isaure, Marie-Pierre [Laboratoire de Chimie Analytique Bio-Inorganique et Environnement (LCABIE), Institut des sciences analytiques et de physico-chimie pour l' environnement et les matériaux (IPREM UMR 5254), Université de Pau et des Pays de l' Adour and CNRS, Hélioparc, 2 Av. Pierre Angot, 64053 Pau Cedex 9 (France); Bert, Valérie [INERIS, Parc technologique Alata, 60550 Verneuil-en-Halatte (France); Laboudigue, Agnès [EMDouai, MPE-GCE, 930 Boulevard Lahure, 59500 Douai (France); Proux, Olivier [OSUG, UMS832 CNRS/UJF, 414 rue de la piscine, 38400 Saint-Martin d' Hères (France); Flank, Anne-Marie; Vantelon, Delphine [Beamline LUCIA, SLS, Swiss Light Source, CH-5232 Villigen (Switzerland); Synchrotron SOLEIL, F-91192 Gif Sur Yvette (France); Sarret, Géraldine, E-mail: geraldine.sarret@ujf-grenoble.fr [ISTerre, Université Grenoble Alpes, CNRS, F-38041 Grenoble (France)

    2015-12-01

    In regions impacted by mining and smelting activities, dredged sediments are often contaminated with metals. Phytotechnologies could be used for their management, but more knowledge on the speciation of metals in the sediment and on their fate after colonization by plant roots is needed. This work was focused on a dredged sediment from the Scarpe river (North of France), contaminated with Zn and Cd. Zn, Cd hyperaccumulating plants Arabidopsis halleri from metallicolous and non-metallicolous origin were grown on the sediment for five months in a pot experiment. The nature and extent of the modifications in Cd speciation with or without plant were determined by electron microscopy, micro X-ray fluorescence and bulk and micro X-ray absorption spectroscopy. In addition, changes in Cd exchangeable and bioavailable pools were evaluated, and Cd content in leachates was measured. Finally, Cd plant uptake and plant growth parameters were monitored. In the original sediment, Cd was present as a mixed Zn, Cd, Fe sulfide. After five months, although pots still contained reduced sulfur, Cd-bearing sulfides were totally oxidized in vegetated pots, whereas a minor fraction (8%) was still present in non-vegetated ones. Secondary species included Cd bound to O-containing groups of organic matter and Cd phosphates. Cd exchangeability and bioavailability were relatively low and did not increase during changes in Cd speciation, suggesting that Cd released by sulfide oxidation was readily taken up with strong interactions with organic matter and phosphate ligands. Thus, the composition of the sediment, the oxic conditions and the rhizospheric activity (regardless of the plant origin) created favorable conditions for Cd stabilization. However, it should be kept in mind that returning to anoxic conditions may change Cd speciation, so the species formed cannot be considered as stable on the long term. - Highlights: • Cd was present as a mixed Zn, Cd, Fe sulfide in the sediment before

  8. Fate of cadmium in the rhizosphere of Arabidopsis halleri grown in a contaminated dredged sediment

    International Nuclear Information System (INIS)

    Huguet, Séphanie; Isaure, Marie-Pierre; Bert, Valérie; Laboudigue, Agnès; Proux, Olivier; Flank, Anne-Marie; Vantelon, Delphine; Sarret, Géraldine

    2015-01-01

    In regions impacted by mining and smelting activities, dredged sediments are often contaminated with metals. Phytotechnologies could be used for their management, but more knowledge on the speciation of metals in the sediment and on their fate after colonization by plant roots is needed. This work was focused on a dredged sediment from the Scarpe river (North of France), contaminated with Zn and Cd. Zn, Cd hyperaccumulating plants Arabidopsis halleri from metallicolous and non-metallicolous origin were grown on the sediment for five months in a pot experiment. The nature and extent of the modifications in Cd speciation with or without plant were determined by electron microscopy, micro X-ray fluorescence and bulk and micro X-ray absorption spectroscopy. In addition, changes in Cd exchangeable and bioavailable pools were evaluated, and Cd content in leachates was measured. Finally, Cd plant uptake and plant growth parameters were monitored. In the original sediment, Cd was present as a mixed Zn, Cd, Fe sulfide. After five months, although pots still contained reduced sulfur, Cd-bearing sulfides were totally oxidized in vegetated pots, whereas a minor fraction (8%) was still present in non-vegetated ones. Secondary species included Cd bound to O-containing groups of organic matter and Cd phosphates. Cd exchangeability and bioavailability were relatively low and did not increase during changes in Cd speciation, suggesting that Cd released by sulfide oxidation was readily taken up with strong interactions with organic matter and phosphate ligands. Thus, the composition of the sediment, the oxic conditions and the rhizospheric activity (regardless of the plant origin) created favorable conditions for Cd stabilization. However, it should be kept in mind that returning to anoxic conditions may change Cd speciation, so the species formed cannot be considered as stable on the long term. - Highlights: • Cd was present as a mixed Zn, Cd, Fe sulfide in the sediment before

  9. A reactive transport model for mercury fate in soil--application to different anthropogenic pollution sources.

    Science.gov (United States)

    Leterme, Bertrand; Blanc, Philippe; Jacques, Diederik

    2014-11-01

    Soil systems are a common receptor of anthropogenic mercury (Hg) contamination. Soils play an important role in the containment or dispersion of pollution to surface water, groundwater or the atmosphere. A one-dimensional model for simulating Hg fate and transport for variably saturated and transient flow conditions is presented. The model is developed using the HP1 code, which couples HYDRUS-1D for the water flow and solute transport to PHREEQC for geochemical reactions. The main processes included are Hg aqueous speciation and complexation, sorption to soil organic matter, dissolution of cinnabar and liquid Hg, and Hg reduction and volatilization. Processes such as atmospheric wet and dry deposition, vegetation litter fall and uptake are neglected because they are less relevant in the case of high Hg concentrations resulting from anthropogenic activities. A test case is presented, assuming a hypothetical sandy soil profile and a simulation time frame of 50 years of daily atmospheric inputs. Mercury fate and transport are simulated for three different sources of Hg (cinnabar, residual liquid mercury or aqueous mercuric chloride), as well as for combinations of these sources. Results are presented and discussed with focus on Hg volatilization to the atmosphere, Hg leaching at the bottom of the soil profile and the remaining Hg in or below the initially contaminated soil layer. In the test case, Hg volatilization was negligible because the reduction of Hg(2+) to Hg(0) was inhibited by the low concentration of dissolved Hg. Hg leaching was mainly caused by complexation of Hg(2+) with thiol groups of dissolved organic matter, because in the geochemical model used, this reaction only had a higher equilibrium constant than the sorption reactions. Immobilization of Hg in the initially polluted horizon was enhanced by Hg(2+) sorption onto humic and fulvic acids (which are more abundant than thiols). Potential benefits of the model for risk management and remediation of

  10. Enantioselective stable isotope analysis (ESIA) — A new concept to evaluate the environmental fate of chiral organic contaminants

    International Nuclear Information System (INIS)

    Badea, Silviu-Laurentiu; Danet, Andrei-Florin

    2015-01-01

    Since 2011, the enantiospecific stable carbon isotope analysis (ESIA) has emerged as an innovative technique to assess the environmental fate of chiral emerging compounds by combining in one experimental technique both compound specific isotope analysis (CSIA) and enantioselective analysis. To date, the ESIA was applied for four classes of compounds: α-hexachlorocyclohexane (α-HCH), polar herbicides (phenoxy acids), synthetic polycyclic musk galaxolide (HHCB), and phenoxyalkanoic methyl herbicides. From an analytical point of view there are factors that are hindering the application of ESIA methods for the field samples: (i.e. amounts of target analyte, matrix effects, GC resolution) and overcoming these factors is challenging. While ESIA was shown as a mature technique for the first three abovementioned class of compounds, no isotope analysis of individual enantiomers could be performed for phenoxyalkanoic methyl herbicides. With respect to field studies, one study showed that ESIA might be a promising tool to distinguish between biotic and abiotic transformation pathways of chiral organic contaminants and even to differentiate between their aerobic and anaerobic biotransformation pathways. The development of ESIA methods for new chiral emerging contaminants in combination with development of multi-element isotope analysis will contribute to a better characterization of transformation pathways of chiral organic contaminants. - Highlights: • ESIA is an innovative technique to assess the environmental fate of chiral pollutants • Overcoming the analytical limitations of ESIA is challenging • Development of ESIA methods for new chiral emerging contaminants is needed

  11. Enantioselective stable isotope analysis (ESIA) — A new concept to evaluate the environmental fate of chiral organic contaminants

    Energy Technology Data Exchange (ETDEWEB)

    Badea, Silviu-Laurentiu, E-mail: badeasilviu@gmail.com [Department of Chemistry, Umeå University, SE-901 87 Umeå (Sweden); Danet, Andrei-Florin [Department of Analytical Chemistry, University of Bucharest, Faculty of Chemistry, 90-92 Panduri Str., Bucharest 050657 (Romania)

    2015-05-01

    Since 2011, the enantiospecific stable carbon isotope analysis (ESIA) has emerged as an innovative technique to assess the environmental fate of chiral emerging compounds by combining in one experimental technique both compound specific isotope analysis (CSIA) and enantioselective analysis. To date, the ESIA was applied for four classes of compounds: α-hexachlorocyclohexane (α-HCH), polar herbicides (phenoxy acids), synthetic polycyclic musk galaxolide (HHCB), and phenoxyalkanoic methyl herbicides. From an analytical point of view there are factors that are hindering the application of ESIA methods for the field samples: (i.e. amounts of target analyte, matrix effects, GC resolution) and overcoming these factors is challenging. While ESIA was shown as a mature technique for the first three abovementioned class of compounds, no isotope analysis of individual enantiomers could be performed for phenoxyalkanoic methyl herbicides. With respect to field studies, one study showed that ESIA might be a promising tool to distinguish between biotic and abiotic transformation pathways of chiral organic contaminants and even to differentiate between their aerobic and anaerobic biotransformation pathways. The development of ESIA methods for new chiral emerging contaminants in combination with development of multi-element isotope analysis will contribute to a better characterization of transformation pathways of chiral organic contaminants. - Highlights: • ESIA is an innovative technique to assess the environmental fate of chiral pollutants • Overcoming the analytical limitations of ESIA is challenging • Development of ESIA methods for new chiral emerging contaminants is needed.

  12. Modeling the fate of polynuclear aromatic hydrocarbons in the rhizosphere

    International Nuclear Information System (INIS)

    Santharam, S.K.; Erickson, L.E.; Fan, L.T.

    1994-01-01

    Polynuclear aromatic hydrocarbons (PAHs) are major contaminants associated with wastes from manufactured gas plants, wood treating operations, and petroleum refining; they are potentially carcinogenic and mutagenic. It has been known that vegetation can enhance the rate and extent of degradation of PAHs in contaminated soil. Plant roots release exudates capable of supplying carbon and energy to microflora for degrading PAHs. It has also been well established that the population of microorganisms in the rhizosphere is significantly greater than that in the non-vegetated soil; these microorganisms are apparently responsible for the enhanced biodegradation of PAHs. A model has been derived for describing the rate of disappearance of a non-aqueous phase contaminant in the rhizosphere, which takes into account dissolution, adsorption, desorption and biodegradation of the contaminant, without neglecting the size distribution of the organic-phase droplets; the rate of biodegradation is expressed in terms of the Monod kinetics. The model is validated with the available experimental data for pyrene

  13. Agrochemical fate models applied in agricultural areas from Colombia

    Science.gov (United States)

    Garcia-Santos, Glenda; Yang, Jing; Andreoli, Romano; Binder, Claudia

    2010-05-01

    The misuse application of pesticides in mainly agricultural catchments can lead to severe problems for humans and environment. Especially in developing countries where there is often found overuse of agrochemicals and incipient or lack of water quality monitoring at local and regional levels, models are needed for decision making and hot spots identification. However, the complexity of the water cycle contrasts strongly with the scarce data availability, limiting the number of analysis, techniques, and models available to researchers. Therefore there is a strong need for model simplification able to appropriate model complexity and still represent the processes. We have developed a new model so-called Westpa-Pest to improve water quality management of an agricultural catchment located in the highlands of Colombia. Westpa-Pest is based on the fully distributed hydrologic model Wetspa and a fate pesticide module. We have applied a multi-criteria analysis for model selection under the conditions and data availability found in the region and compared with the new developed Westpa-Pest model. Furthermore, both models were empirically calibrated and validated. The following questions were addressed i) what are the strengths and weaknesses of the models?, ii) which are the most sensitive parameters of each model?, iii) what happens with uncertainties in soil parameters?, and iv) how sensitive are the transfer coefficients?

  14. Modelling the fate of sulphur-35 in crops. 1. Calibration data

    International Nuclear Information System (INIS)

    Collins, Chris; Cunningham, Nathan

    2005-01-01

    Gas-cooled nuclear power plants in the UK release sulphur-35 during their routine operation. The gas is in the form of COS which can be readily assimilated by vegetation. It is therefore necessary to be able to model the uptake of such releases in order to quantify any potential contamination of the food chain. To develop such models experimental data are required. A series of experiments was undertaken to determine the rate of deposition, the partition and subsequent loss of sulphur-35 in crops exposed to CO 35 S. The mass normalised deposition rate was similar for the range of crops tested, while the partition of the 35 S paralleled the growth of crop components. There was no significant loss of radioactivity other than that expected from radioactive decay. - The deposition, fate and loss of 35 S in crops were quantified following exposure to COS

  15. Biogeochemical Attributes That Affect the Fate and Transport of Military Relevant Contaminants Under Freeze-thaw Conditions

    Science.gov (United States)

    LeMonte, J.; Price, C. L.; Seiter, J.; Crocker, F. H.; Douglas, T.; Chappell, M. A.

    2017-12-01

    The roles and missions that the U.S. Department of Defense (DoD) undertakes in the Arctic are being reshaped by significant changes in the operational environment as a result of rising global temperatures and increased development of the vast training ranges available in Alaska. The Arctic is warming faster than any other region on Earth resulting in changing seasonality and precipitation patterns that, in turn, are leading to alterations in above ground vegetation, permafrost stability and summer sea ice extent. Collectively, these poorly defined ecosystem changes play critical roles in affecting the transport and eventual fate of persistent military relevant contaminants through unique Arctic and Subarctic terrestrial environments. As a result, management of military contaminants in a changing Arctic represents a unique and potentially significant liability to the Army and the DoD. The United States footprint in the Arctic region falls within the state of Alaska and U.S. Army Alaska manages 10% of all active Army training lands worldwide, which cover nearly 2,500 square miles in total land area. Primary recalcitrant contaminants of concern at active training ranges and at legacy sites include energetics (i.e. RDX and 2,4-dinitrotoluene) and heavy metals (i.e. antimony and lead). Through a series of field sampling and laboratory experiments, the objectives of this work are to: 1) quantify soil biogeochemical attributes that effect the physical fate and transport of military relevant contaminants in Arctic and subarctic soils under freeze-thaw conditions with a focus on near surface processes, and 2) quantify microbial diversity in Arctic and subarctic soils and the environmental constraints on community activity while exploring the effects of amendments on community function as they relate to contaminant transformation.

  16. Modeling subsurface contamination at Fernald

    International Nuclear Information System (INIS)

    Jones, B.W.; Flinn, J.C.; Ruwe, P.R.

    1994-01-01

    The Department of Energy's Fernald site is located about 20 miles northwest of Cincinnati. Fernald produced refined uranium metal products from ores between 1953 and 1989. The pure uranium was sent to other DOE sites in South Carolina, Tennessee, Colorado,and Washington in support of the nation's strategic defense programs. Over the years of large-scale uranium production, contamination of the site's soil and groundwater occurred.The contamination is of particular concern because the Fernald site is located over the Great Miami Aquifer, a designated sole-source drinking water aquifer. Contamination of the aquifer with uranium was found beneath the site, and migration of the contamination had occurred well beyond the site's southern boundary. As a result, Fernald was placed on the National Priorities (CERCLA/Superfund) List in 1989. Uranium production at the site ended in 1989,and Fernald's mission has been changed to one of environmental restoration. This paper presents information about computerized modeling of subsurface contamination used for the environmental restoration project at Fernald

  17. Fate of selected microorganisms when introduced as cross-contamination inocula into simulated food trash compartment waste

    Science.gov (United States)

    Strayer, Richard; Hummerick, Mary; Richards, Jeffrey; Birmele, Michele; Roberts, Michael

    AdHocReviewCycleID-309796538 NewReviewCycle EmailSubjectPlease review this (?today?) AuthorEm Richard F. (KSC)[DYNAMAC CORP] ReviewingToolsShownOnceurn:schemas-microsoft-com:office:smart One goal of Exploration Life Support solid waste processing is to stabilize wastes for storage, mitigate crew risks, and enable resource recovery. Food and crew fecal wastes contain easily biodegraded organic components that support microbial growth. Our objective is to determine a baseline for the fate of selected microbes in wastes prior to processing treatments. Challenge microbes, including human-associated pathogens, were added to unsterilized, simulated food trash solid waste containing a mixed microbial community. The fate of the microbial community and challenge microbes was determined over a 6 week time course of waste storage. Challenge microbes were selected from a list of microorganisms common to residual food or fecal wastes and included: Escherichia coli, Salmonella enterica serovar typhimurium, Staphylococcus aureus, Pseudomonas aeruginosa, Aspergillus niger (a common mold), and Bacillus pumilus SAFR-032, a spore-forming bacterium previously isolated from spacecraft assembly facilities selected for its resistance to heat, uv, and desiccation. The trash model simulant contained 80% food trash (food waste and containers) and 20% hygiene wipes. Cultures of challenge microbes were grown overnight on Nutrient Agar (Difco), harvested, re-suspended in physiological saline, and diluted to achieve the desired optical density for inoculation. The six organisms were pooled and inoculated into the simulated food wastes and packaging before manual mixing. Inoculated simulated waste was stored in custom FlexfoilTM gas sampling bags (SKC, Inc.) which were then connected to a gas analysis system designed to supply fresh air to each bag to maintain O2 above 1%. Bag headspace was monitored for CO2 (PP Systems) and O2 (Maxtec). Total microbes were quantified by microscopic direct

  18. A coupled reaction and transport model for assessing the injection, migration and fate of waste fluids

    International Nuclear Information System (INIS)

    Liu, X.; Ortoleva, P.

    1996-01-01

    The use of reaction-transport modeling for reservoir assessment and management in the context of deep well waste injection is evaluated. The study is based on CIRF.A (Chemical Interaction of Rock and Fluid), a fully coupled multiphase flow, contaminant transport, and fluid and mineral reaction model. Although SWIFT (Sandia Waste-Isolation Flow and Transport Model) is often the numerical model of choice, it can not account for chemical reactions involving rock, wastes, and formation fluids and their effects on contaminant transport, rock permeability and porosity, and the integrity of the reservoir and confining units. CIRF.A can simulate all these processes. Two field cases of waste injection were simulated by CIRF.A. Both observation data and simulation results show mineral precipitation in one case and rock dissolution in another case. Precipitation and dissolution change rock porosity and permeability, and hence the pattern of fluid migration. The model is shown to be invaluable in analyzing near borehole and reservoir-scale effects during waste injection and predicting the 10,000 year fate of the waste plume. The benefits of using underpressured compartments as waste repositories were also demonstrated by CIRF.A simulations

  19. Chemical Contaminants in the Wadden Sea: sources, transport, fate and effects

    NARCIS (Netherlands)

    Laane, R.W.P.M.; Vethaak, A.D.; Gandrass, J.; Vorkamp, K.; Köhler, A.; Larsen, M.M.; Strand, J.

    2013-01-01

    The Wadden Sea receives contaminants from various sources and via various transport routes. The contaminants described in this overview are various metals (Cd, Cu, Hg, Pb and Zn) and various organic contaminants (polychlorinated biphenyls (PCBs), polycyclic aromatic hydrocarbons (PAHs) and lindane

  20. Modeling the fate transport of cesium in crushed granite

    International Nuclear Information System (INIS)

    Lee, C.B.; Kuo, Y.M.; Hsu, C.N.; Li, M.H.; Cheng, H.P.; Teng, S.P.

    2005-01-01

    Full text of publication follows: In order to assess the safety of a underground radwaste repository, reactive transport models suitable for evaluating the fate and transport of radionuclides need to be established based on experimental observation and analysis. The goal of this study is to construct adequate models simulating the reactive transport of cesium (Cs) in crushed granite through a systematic analysis, where synthetic groundwater (SGW) and synthetic seawater (SSW) were employed as the liquid phase. To build such models, this study applied N 2 -BET, x-ray diffraction (XRD), polar-microscopy/ auto-radiography, and solid-phase digestion for the analysis of granite, kinetic batch tests for the characterization of sorption/desorption of Cs, and multi-stage advection-dispersion column tests for the determination of major transport processes and the calibration/validation of hypothesized reactive transport models. Based on the results of solid phase analysis and batch tests, a two-site Langmuir kinetic model has been determined capable of appropriately describing Cs sorption/desorption under test conditions. From the results of non-reactive HTO column tests, a mobile/immobile transport model was proposed to capture the major transport processes in our column system. However, the combination of the two-site Langmuir model and the mobile/immobile transport model failed to provide numerical breakthrough curves matching the Cs experimental breakthroughs. It implied that our model needs to be further refined. To achieve this, the setup of our column test needs to be modified first to reduce the volume of column connecting space, so that the effect of extra diffusion/dispersion on breakthroughs would be minimized and major transport characteristics can be clearly revealed. Moreover, more investigations on the reaction mechanisms and transport processes of the reactive transport system must be conducted. (authors)

  1. A modified QWASI model for fate and transport modeling of mercury between the water-ice-sediment in Lake Ulansuhai.

    Science.gov (United States)

    Liu, Yu; Li, Changyou; Anderson, Bruce; Zhang, Sheng; Shi, Xiaohong; Zhao, Shengnan

    2017-06-01

    Mercury contamination from industrial and agricultural drainage into lakes and rivers is a growing concern in Northern China. Lake Ulansuhai, located in Hetao irrigation district in Inner Mongolia, is the only sink for the all industrial and agricultural drainage and sole outlet for this district to the Yellow River, which is one of the main source of drinking water for the numerous cities and towns downstream. Because Ulansuahi is ice-covered during winter, the QWASI model was modified by adding an ice equation to get a more accurate understanding of the fate and transport of mercury within the lake. Both laboratory and field tests were carried out during the ice growth period. The aquivalence and mass balance approaches were used to develop the modified QWASI + ice model. The margins of error between the modelled and the measured average concentrations of Hg in ice, water, and sediment were 30%, 26.2%, and 19.8% respectively. These results suggest that the new QWASI + ice model could be used to more accurately represent the fate and transport of mercury in the seasonally ice-covered lakes, during the ice growth period. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. Can Bayesian Belief Networks help tackling conceptual model uncertainties in contaminated site risk assessment?

    DEFF Research Database (Denmark)

    Troldborg, Mads; Thomsen, Nanna Isbak; McKnight, Ursula S.

    different conceptual models may describe the same contaminated site equally well. In many cases, conceptual model uncertainty has been shown to be one of the dominant sources for uncertainty and is therefore essential to account for when quantifying uncertainties in risk assessments. We present here......A key component in risk assessment of contaminated sites is the formulation of a conceptual site model. The conceptual model is a simplified representation of reality and forms the basis for the mathematical modelling of contaminant fate and transport at the site. A conceptual model should...... a Bayesian Belief Network (BBN) approach for evaluating the uncertainty in risk assessment of groundwater contamination from contaminated sites. The approach accounts for conceptual model uncertainty by considering multiple conceptual models, each of which represents an alternative interpretation of the site...

  3. Multimedia fate modeling of perfluorooctanoic acid (PFOA) and perfluorooctane sulphonate (PFOS) in the shallow lake Chaohu, China.

    Science.gov (United States)

    Kong, Xiangzhen; Liu, Wenxiu; He, Wei; Xu, Fuliu; Koelmans, Albert A; Mooij, Wolf M

    2018-06-01

    Freshwater shallow lake ecosystems provide valuable ecological services to human beings. However, these systems are subject to severe contamination from anthropogenic sources. Per- and polyfluoroalkyl substances (PFASs), including perfluorooctanoic acid (PFOA) and perfluorooctane sulphonate (PFOS), are among the contaminants that have received substantial attention, primarily due to abundant applications, environment persistence, and potential threats to ecological and human health. Understanding the environmental behavior of these contaminants in shallow freshwater lake environments using a modeling approach is therefore critical. Here, we characterize the fate, transport and transformation of both PFOA and PFOS in the fifth largest freshwater lake in China (Chaohu) during a two-year period (2013-2015) using a fugacity-based multimedia fate model. A reasonable agreement between the measured and modeled concentrations in various compartments confirms the model's reliability. The model successfully quantifies the environmental processes and identifies the major sources and input pathways of PFOA and PFOS to the Chaohu water body. Sensitivity analysis reveals the critical role of nonlinear Freundlich sorption, which contributes to a variable fraction of the model true uncertainty in different compartments (8.1%-93.6%). Through additional model scenario analyses, we further elucidate the importance of nonlinear Freundlich sorption that is essential for the reliable model performance. We also reveal the distinct composition of emission sources for the two contaminants, as the major sources are indirect soil volatilization and direct release from human activities for PFOA and PFOS, respectively. The present study is expected to provide implications for local management of PFASs pollution in Lake Chaohu and to contribute to developing a general model framework for the evaluation of PFASs in shallow lakes. Copyright © 2018 Elsevier Ltd. All rights reserved.

  4. Modelling the Fate of Xenobiotic Trace Chemicals via Wastewater Treatment and Agricultural Resource Reuse

    DEFF Research Database (Denmark)

    Polesel, Fabio

    the comprehension of XTC fate, and thus the predictive capabilities of fate models: (i) at process scale, with a focus on sorption and biological transformation of XTCs in biological treatment systems; (ii) in full-scale WWTPs, assessing the impact of retransformation and WWTP operation on XTC elimination; and (iii......) in integrated WWTP-agricultural systems. Different modelling tools, suiting the specific purposes of our investigations, were developed, extended and/or innovatively applied. Fate models used as reference in this thesis include: the Activated Sludge Modelling framework for Xenobiotics (ASM-X); the generic WWTP...... model SimpleTreat Activity; and the dynamic soil-plant model for fate prediction in agricultural systems. Experimental and model-based observations were combined to assess sorption of ionizable XTCs onto activated sludge and XTC biotransformation in moving bed biofilm reactors (MBBRs). Most XTCs...

  5. OPERA models for predicting physicochemical properties and environmental fate endpoints.

    Science.gov (United States)

    Mansouri, Kamel; Grulke, Chris M; Judson, Richard S; Williams, Antony J

    2018-03-08

    The collection of chemical structure information and associated experimental data for quantitative structure-activity/property relationship (QSAR/QSPR) modeling is facilitated by an increasing number of public databases containing large amounts of useful data. However, the performance of QSAR models highly depends on the quality of the data and modeling methodology used. This study aims to develop robust QSAR/QSPR models for chemical properties of environmental interest that can be used for regulatory purposes. This study primarily uses data from the publicly available PHYSPROP database consisting of a set of 13 common physicochemical and environmental fate properties. These datasets have undergone extensive curation using an automated workflow to select only high-quality data, and the chemical structures were standardized prior to calculation of the molecular descriptors. The modeling procedure was developed based on the five Organization for Economic Cooperation and Development (OECD) principles for QSAR models. A weighted k-nearest neighbor approach was adopted using a minimum number of required descriptors calculated using PaDEL, an open-source software. The genetic algorithms selected only the most pertinent and mechanistically interpretable descriptors (2-15, with an average of 11 descriptors). The sizes of the modeled datasets varied from 150 chemicals for biodegradability half-life to 14,050 chemicals for logP, with an average of 3222 chemicals across all endpoints. The optimal models were built on randomly selected training sets (75%) and validated using fivefold cross-validation (CV) and test sets (25%). The CV Q 2 of the models varied from 0.72 to 0.95, with an average of 0.86 and an R 2 test value from 0.71 to 0.96, with an average of 0.82. Modeling and performance details are described in QSAR model reporting format and were validated by the European Commission's Joint Research Center to be OECD compliant. All models are freely available as an open

  6. Aquatic pathways model to predict the fate of phenolic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Aaberg, R.L.; Peloquin, R.A.; Strenge, D.L.; Mellinger, P.J.

    1983-04-01

    Organic materials released from energy-related activities could affect human health and the environment. To better assess possible impacts, we developed a model to predict the fate of spills or discharges of pollutants into flowing or static bodies of fresh water. A computer code, Aquatic Pathways Model (APM), was written to implement the model. The computer programs use compartmental analysis to simulate aquatic ecosystems. The APM estimates the concentrations of chemicals in fish tissue, water and sediment, and is therefore useful for assessing exposure to humans through aquatic pathways. The APM will consider any aquatic pathway for which the user has transport data. Additionally, APM will estimate transport rates from physical and chemical properties of chemicals between several key compartments. The major pathways considered are biodegradation, fish and sediment uptake, photolysis, and evaporation. The model has been implemented with parameters for distribution of phenols, an important class of compounds found in the water-soluble fractions of coal liquids. Current modeling efforts show that, in comparison with many pesticides and polyaromatic hydrocarbons (PAH), the lighter phenolics (the cresols) are not persistent in the environment. The properties of heavier molecular weight phenolics (indanols, naphthols) are not well enough understood at this time to make similar judgements. For the twelve phenolics studied, biodegradation appears to be the major pathway for elimination from aquatic environments. A pond system simulation (using APM) of a spill of solvent refined coal (SRC-II) materials indicates that phenol, cresols, and other single cyclic phenolics are degraded to 16 to 25 percent of their original concentrations within 30 hours. Adsorption of these compounds into sediments and accumulation by fish was minor.

  7. Contamination level of four priority phthalates in North Indian wastewater treatment plants and their fate in sequencing batch reactor systems.

    Science.gov (United States)

    Gani, Khalid Muzamil; Rajpal, Ankur; Kazmi, Absar Ahmad

    2016-03-01

    The contamination level of four phthalates in untreated and treated wastewater of fifteen wastewater treatment plants (WWTPs) and their fate in a full scale sequencing batch reactor (SBR) based WWTP was evaluated in this study. The four phthalates were diethyl phthalate (DEP), dibutyl phthalate (DBP), benzylbutyl phthalate (BBP) and diethylhexyl phthalate (DEHP). All compounds were present in untreated wastewater with DEHP being present in the highest mean concentration of 28.4 ± 5.3 μg L(-1). The concentration was in the range of 7.3 μg L(-1) (BBP) to 28.4 μg L(-1) (DEHP) in untreated wastewater and 1.3 μg L(-1) (DBP) to 2.6 μg L(-1) (DEHP) in treated wastewater. The nutrient removal process and advance tertiary treatment based WWTPs showed the highest phthalate removal efficiencies of 87% and 93%, respectively. The correlation between phthalate removal and conventional performance of WWTPs was positive. Fate analysis of these phthalates in a SBR based WWTP showed that total removal of the sum of phthalates in a primary settling tank and SBR was 84% out of which 55% is removed by biodegradation and 29% was removed by sorption to primary and secondary sludge. The percentage removal of four phthalates in primary settling tanks was 18%. Comparison of the diluted effluent DEHP concentration with its environmental quality standards showed that the dilution in an effluent receiving water body can reduce the DEHP emissions to acceptable values.

  8. SIMAP oil and Orimulsion fate and effects model

    International Nuclear Information System (INIS)

    French, D.P.; Mendelsohn, D.; Rines, H.

    1995-01-01

    SIMAP, ASA's Spill Impact MAPping model system, simulates the physical fates and biological effects of spilled oils and fuels in 3-dimensional space, allow evaluation of the effectiveness of spill response activities, and evaluate probabilities of trajectories and resulting impacts. It may be used for real-time spill simulation, contingency planning, and ecological risk assessments. SIMAP has been verified for oil spills using data from the Exxon Valdez, the August 1993 No. 6 fuel spill in Tampa Bay, the North Cape No. 2 oil spill in RI January 1996, and others. SIMAP has been extended to apply to the alternative fuel Orimulsion trademark by development of algorithms describing the characteristics of this fuel and mechanisms of dispersion if it is spilled. Orimulsion is a mixture of approximately70% bitumen, surfactant, and water (about 30%). This emulsion readily mixes into the water column when it is spilled, as opposed to remaining as a surface slick as do oils. Thus, Orimulsion is tracked in the model as two fractions dispersed in an initial water volume: (1) fuel (bitumen) droplets with attached surfactant, and (2) dissolved low molecular weight aromatics. The toxicity of each component is considered separately and as additive. The model evaluates exposure, toxicity, mortality, and sublethal losses of biota resulting from the spill. Toxic effects are a function of time and temperature of exposure to concentrations, exposure to surface slicks and shoreline oil, and physiological response based on biological classifications. Losses of fish, shellfish, and wildlife are evaluated in the context of natural and harvest mortality rates in the absence of the spill

  9. H51E-1535: Biogeochemical factors influencing the transport and fate of colloids and colloid-associated contaminants in the vadose zone

    Science.gov (United States)

    The vadose zone exhibits large spatial and temporal variability in many physical, chemical, and biological factors that strongly influence the transport and fate of colloids (e.g., microbes, nanoparticles, clays, and dissolved organic matter) and colloid-associated contaminants (e.g., heavy metals, ...

  10. Fate of polychlorinated biphenyls in a contaminated lake ecosystem: combining equilibrium passive sampling of sediment and water with total concentration measurements of biota.

    Science.gov (United States)

    Mäenpää, Kimmo; Leppänen, Matti T; Figueiredo, Kaisa; Mayer, Philipp; Gilbert, Dorothea; Jahnke, Annika; Gil-Allué, Carmen; Akkanen, Jarkko; Nybom, Inna; Herve, Sirpa

    2015-11-01

    Equilibrium sampling devices can be applied to study and monitor the exposure and fate of hydrophobic organic chemicals on a thermodynamic basis. They can be used to determine freely dissolved concentrations and chemical activity ratios and to predict equilibrium partitioning concentrations of hydrophobic organic chemicals in biota lipids. The authors' aim was to assess the equilibrium status of polychlorinated biphenyls (PCBs) in a contaminated lake ecosystem and along its discharge course using equilibrium sampling devices for measurements in sediment and water and by also analyzing biota. The authors used equilibrium sampling devices (silicone rubber and polyethylene [PE]) to determine freely dissolved concentrations and chemical activities of PCBs in the water column and sediment porewater and calculated for both phases the corresponding equilibrium concentrations and chemical activities in model lipids. Overall, the studied ecosystem appeared to be in disequilibrium for the studied phases: sediment, water, and biota. Chemical activities of PCBs were higher in sediment than in water, which implies that the sediment functioned as a partitioning source of PCBs and that net diffusion occurred from the sediment to the water column. Measured lipid-normalized PCB concentrations in biota were generally below equilibrium lipid concentrations relative to the sediment (CLip ⇌Sed ) or water (CLip ⇌W ), indicating that PCB levels in the organisms were below the maximum partitioning levels. The present study shows the application versatility of equilibrium sampling devices in the field and facilitates a thermodynamic understanding of exposure and fate of PCBs in a contaminated lake and its discharge course. © 2015 SETAC.

  11. Large-scale modeling on the fate and transport of polycyclic aromatic hydrocarbons (PAHs) in multimedia over China

    Science.gov (United States)

    Huang, Y.; Liu, M.; Wada, Y.; He, X.; Sun, X.

    2017-12-01

    In recent decades, with rapid economic growth, industrial development and urbanization, expanding pollution of polycyclic aromatic hydrocarbons (PAHs) has become a diversified and complicated phenomenon in China. However, the availability of sufficient monitoring activities for PAHs in multi-compartment and the corresponding multi-interface migration processes are still limited, especially at a large geographic area. In this study, we couple the Multimedia Fate Model (MFM) to the Community Multi-Scale Air Quality (CMAQ) model in order to consider the fugacity and the transient contamination processes. This coupled dynamic contaminant model can evaluate the detailed local variations and mass fluxes of PAHs in different environmental media (e.g., air, surface film, soil, sediment, water and vegetation) across different spatial (a county to country) and temporal (days to years) scales. This model has been applied to a large geographical domain of China at a 36 km by 36 km grid resolution. The model considers response characteristics of typical environmental medium to complex underlying surface. Results suggest that direct emission is the main input pathway of PAHs entering the atmosphere, while advection is the main outward flow of pollutants from the environment. In addition, both soil and sediment act as the main sink of PAHs and have the longest retention time. Importantly, the highest PAHs loadings are found in urbanized and densely populated regions of China, such as Yangtze River Delta and Pearl River Delta. This model can provide a good scientific basis towards a better understanding of the large-scale dynamics of environmental pollutants for land conservation and sustainable development. In a next step, the dynamic contaminant model will be integrated with the continental-scale hydrological and water resources model (i.e., Community Water Model, CWatM) to quantify a more accurate representation and feedbacks between the hydrological cycle and water quality at

  12. Fate of Potential Contaminants Due to Disposal of Olive Mill Wastewaters in Unprotected Evaporation Ponds.

    Science.gov (United States)

    Kavvadias, V; Elaiopoulos, K; Theocharopoulos, Sid; Soupios, P

    2017-03-01

    The disposal of olive mill wastewaters (OMW) in shallow and unprotected evaporation ponds is a common, low-cost management practice, followed in Mediterranean countries. So far, the fate of potential soil pollutants in areas located near evaporation ponds is not adequately documented. This study investigates the extent in which the long-term disposal of OMW in evaporation ponds can affect the soil properties of the area located outside the evaporation pond and assesses the fate of the pollution loads of OMW. Four soil profiles situated outside and around the down slope side of the disposal area were excavated. The results showed considerable changes in concentration of soil phenols at the down-site soil profiles, due to the subsurface transport of the OMW. In addition, excessive concentrations of NH 4 + , PO 4 3- and phenols were recorded in liquid samples taken from inside at the bottom of the soil profiles. It is concluded that unprotected evaporation ponds located in light texture soils pose a serious threat to favour soil and water pollution.

  13. A fate model for nitrogen dynamics in the Scheldt basin

    Science.gov (United States)

    Haest, Pieter Jan; van der Kwast, Johannes; Broekx, Steven; Seuntjens, Piet

    2010-05-01

    literature data. Process-knowledge on the innovative rehabilitation technologies, i.e. wetlands and riparian zones, will be derived from lab and field scale experiments. Datasets provided at the EU level are used to calibrate the model when available. The fate model will be used to create a database driven Decision Support System (DSS) in which costs of measures and ecotoxicological effects are considered. The DSS can then be used to compare alternative combinations of rehabilitation technologies versus conventional measures in the Scheldt river basin taking into account the ecological status of the river basin.

  14. Nitrogen fate model for gas-phase ammonia-enhanced in situ bioventing

    International Nuclear Information System (INIS)

    Marshall, T.R.

    1995-01-01

    Subsurface bioremediation of contaminants is sometimes limited by the availability of nitrogen. Introduction of gaseous ammonia to the subsurface is a feasible and economical approach to enhance biodegradation in some environments. A gaseous nutrient source may be a practical option for sites where surface application of liquid nutrients is not possible, such as sites with shallow groundwater or sites with surface operations. A conceptual nitrogen fate model was developed to provide remediation scientists and engineers with some practical guidelines in the use of ammonia-enhanced bioventing. Ammonia supplied to the subsurface dissolves readily in soil moisture and sorbs strongly to soil particles. The ammonium ion is the preferred nutrient form of many microorganisms. Some of the ammonia will be converted to nitrate by ammonia-oxidizing organisms. Field monitoring data from an operating ammonia-enhanced bioventing remediation site for diesel fuel contamination are presented. Conservative additions of ammonia promoted appreciable increases in evolved carbon dioxide and rate of oxygen utilization. An overabundance of added ammonia promoted formation of methane from likely anaerobic hydrocarbon degradation in the presence of nitrate as the electron acceptor

  15. Interfacial Reduction-Oxidation Mechanisms Governing Fate and Transport of Contaminants in the Vadose Zone

    Energy Technology Data Exchange (ETDEWEB)

    Principal Investigator: Baolin Deng, University of Missouri, Columbia, MO; Co-Principal Investigator: Silvia Sabine Jurisson, University of Missouri, Columbia, MO; Co-Principal Investigator: Edward C. Thornton, Pacific Northwest National Laboratory Richland, WA; Co-Principal Investigator: Jeff Terry, Illinois Institute of Technology, Chicago, IL

    2008-05-12

    There are many soil contamination sites at the Department of Energy (DOE) installations that contain radionuclides and toxic metals such as uranium (U), technetium (Tc), and chromium (Cr). Since these contaminants are the main 'risk drivers' at the Hanford site (WA) and some of them also pose significant risk at other DOE facilities (e.g., Oak Ridge Reservation - TN; Rocky Flats - CO), development of technologies for cost effective site remediation is needed. Current assessment indicates that complete removal of these contaminants for ex-situ disposal is infeasible, thus in-situ stabilization through reduction to insoluble species is considered one of the most important approaches for site remediation. In Situ Gaseous Reduction (ISGR) is a technology developed by Pacific Northwest National Laboratory (PNNL) for vadose zone soil remediation. The ISGR approach uses hydrogen sulfide (H{sub 2}S) for reductive immobilization of contaminants that show substantially lower mobility in their reduced forms (e.g., Tc, U, and Cr). The technology can be applied in two ways: (i) to immobilize or stabilize pre-existing contaminants in the vadose zone soils by direct H{sub 2}S treatment, or (ii) to create a permeable reactive barrier (PRB) that prevents the migration of contaminants. Direct treatment involves reduction of the contaminants by H{sub 2}S to less mobile species. Formation of a PRB is accomplished through reduction of ferric iron species in the vadose zone soils by H{sub 2}S to iron sulfides (e.g., FeS), which provides a means for capturing the contaminants entering the treated zone. Potential future releases may occur during tank closure activities. Thus, the placement of a permeable reactive barrier by ISGR treatment can be part of the leak mitigation program. Deployment of these ISGR approaches, however, requires a better understanding of the immobilization kinetics and mechanisms, and a better assessment of the long-term effectiveness of treatment. The

  16. Environmental fate and ecotoxicological risk of the antibiotic sulfamethoxazole across the Katari catchment (Bolivian Altiplano) : application of the GREAT-ER model

    OpenAIRE

    Archundia, D.; Boithias, Laurie; Duwig, Céline; Morel, M. C.; Aviles, G. F.; Martins, J. M. F.

    2018-01-01

    Antibiotics are emergent contaminants that can induce adverse effects in terrestrial and aquatic organisms. The surface water compartment is of particular concern as it receives direct waste water discharge. Modeling is highlighted as an essential tool to understand the fate and behavior of these compounds and to assess their eco-toxicological risk. This study aims at testing the ability of the GREAT-ER model in simulating sulfamethoxazole (SMX) concentrations in the surface waters of the ari...

  17. Fate of organic contaminants in the redox zones of a landfill leachate pollution plume (Vejen, Denmark)

    DEFF Research Database (Denmark)

    Lyngkilde, John; Christensen, Thomas Højlund

    1992-01-01

    Samples from 75 sample locations in a landfill leachate pollution plume reveal a significant disappearance of specific organic compounds (SOC's) within the first 100 m of the plume. Only the herbicide Mecoprop® (MCPP) migrates further. Since sorption and dilution cannot account for the decreasing...... concentrations, degradation is considered to be the governing process. Non-volatile organic carbon shows a corresponding fate probably acting as a substrate for the microbial processes. The first 20 m of the plume are methanogenic/sulfidogenic, judged on the chemistry of the groundwater, followed...... by a significant ferrogenic zone exhibiting a substantial capacity to degrade the SOC's. The presence of intermediary products (here an oxidized camphor compound) supports the concept of degradation within the ferrogenic zone. This investigation draws the attention to the significant natural attenuation of organic...

  18. Fate of Fumonisin B1 in Naturally Contaminated Corn during Ethanol Fermentation

    Science.gov (United States)

    Bothast, R. J.; Bennett, G. A.; Vancauwenberge, J. E.; Richard, J. L.

    1992-01-01

    Two lots of corn naturally contaminated with fumonisin B1 (15 and 36 ppm) and a control lot (no fumonisin B1 detected) were used as substrates for ethanol production in replicate 8.5-liter yeast fermentations. Ethanol yields were 8.8% for both the control and low-fumonisin corn, while the high-fumonisin corn contained less starch and produced 7.2% ethanol. Little degradation of fumonisin occurred during fermentation, and most was recovered in the distillers' grains, thin stillage, and distillers' solubles fractions. No toxin was detected in the distilled alcohol or centrifuge solids. Ethanol fermentation of fumonisin-contaminated corn coupled with effective detoxification of distillers' grains and aqueous stillage is suggested as a practical process strategy for salvaging contaminated corn. PMID:16348623

  19. Models of Fate and Transport of Pollutants in Surface Waters

    Science.gov (United States)

    Okome, Gloria Eloho

    2013-01-01

    There is the need to answer very crucial questions of "what happens to pollutants in surface waters?" This question must be answered to determine the factors controlling fate and transport of chemicals and their evolutionary state in surface waters. Monitoring and experimental methods are used in establishing the environmental states.…

  20. Multiphase CFD modeling of nearfield fate of sediment plumes

    DEFF Research Database (Denmark)

    Saremi, Sina; Hjelmager Jensen, Jacob

    2014-01-01

    Disposal of dredged material and the overflow discharge during the dredging activities is a matter of concern due to the potential risks imposed by the plumes on surrounding marine environment. This gives rise to accurately prediction of the fate of the sediment plumes released in ambient waters...

  1. Analysis of TCE Fate and Transport in Karst Groundwater Systems Using Statistical Mixed Models

    Science.gov (United States)

    Anaya, A. A.; Padilla, I. Y.

    2012-12-01

    Karst groundwater systems are highly productive and provide an important fresh water resource for human development and ecological integrity. Their high productivity is often associated with conduit flow and high matrix permeability. The same characteristics that make these aquifers productive also make them highly vulnerable to contamination and a likely for contaminant exposure. Of particular interest are trichloroethylene, (TCE) and Di-(2-Ethylhexyl) phthalate (DEHP). These chemicals have been identified as potential precursors of pre-term birth, a leading cause of neonatal complications with a significant health and societal cost. Both of these contaminants have been found in the karst groundwater formations in this area of the island. The general objectives of this work are to: (1) develop fundamental knowledge and determine the processes controlling the release, mobility, persistence, and possible pathways of contaminants in karst groundwater systems, and (2) characterize transport processes in conduit and diffusion-dominated flow under base flow and storm flow conditions. The work presented herein focuses on the use of geo-hydro statistical tools to characterize flow and transport processes under different flow regimes, and their application in the analysis of fate and transport of TCE. Multidimensional, laboratory-scale Geo-Hydrobed models (GHM) were used for this purpose. The models consist of stainless-steel tanks containing karstified limestone blocks collected from the karst aquifer formation of northern Puerto Rico. The models integrates a network of sampling wells to monitor flow, pressure, and solute concentrations temporally and spatially. Experimental work entails injecting dissolved CaCl2 tracers and TCE in the upstream boundary of the GHM while monitoring TCE and tracer concentrations spatially and temporally in the limestone under different groundwater flow regimes. Analysis of the temporal and spatial concentration distributions of solutes

  2. Assessing the fate of antibiotic contaminants in metal contaminated soils four years after cessation of long-term waste water irrigation

    International Nuclear Information System (INIS)

    Tamtam, Fatima; Oort, Folkert van; Le Bot, Barbara; Dinh, Tuc; Mompelat, Sophie; Chevreuil, Marc; Lamy, Isabelle; Thiry, Medard

    2011-01-01

    Spreading of urban wastewater on agricultural land may lead to concomitant input of organic and inorganic pollutants. Such multiple pollution sites offer unique opportunities to study the fate of both heavy metals and pharmaceuticals. We examined the occurrence and fate of selected antibiotics in sandy-textured soils, sampled four years after cessation of 100 years irrigation with urban wastewater from the Paris agglomeration. Previous studies on heavy metal contamination of these soils guided our sampling strategy. Six antibiotics were studied, including quinolones, with a strong affinity for organic and mineral soil components, and sulfonamides, a group of more mobile molecules. Bulk samples were collected from surface horizons in different irrigation fields, but also in subsurface horizons in two selected profiles. In surface horizons, three quinolones (oxolinic acid, nalidixic acid, and flumequine) were present in eight samples out of nine. Their contents varied spatially, but were well-correlated one to another. Their distributions showed great similarities regarding spatial distribution of total organic carbon and heavy metal contents, consistent with a common origin by wastewater irrigation. Highest concentrations were observed for sampling sites close to irrigation water outlets, reaching 22 μg kg -1 for nalidixic acid. Within soil profiles, the two antibiotic groups demonstrated an opposite behavior: quinolones, found only in surface horizons; sulfamethoxazole, detected in clay-rich subsurface horizons, concomitant with Zn accumulation. Such distribution patterns are consistent with chemical adsorption properties of the two antibiotic groups: immobilization of quinolones in the surface horizons ascribed to strong affinity for organic matter (OM), migration of sulfamethoxazole due to a lower affinity for OM and its interception and retention in electronegative charged clay-rich horizons. Our work suggests that antibiotics may represent a durable

  3. Milk contamination and resistance to processing conditions determine the fate of Lactococcus lactis bacteriophages in dairies.

    Science.gov (United States)

    Madera, Carmen; Monjardín, Cristina; Suárez, Juan E

    2004-12-01

    Milk contamination by phages, the susceptibility of the phages to pasteurization, and the high levels of resistance to phage infection of starter strains condition the evolution dynamics of phage populations in dairy environments. Approximately 10% (83 of 900) of raw milk samples contained phages of the quasi-species c2 (72%), 936 (24%), and P335 (4%). However, 936 phages were isolated from 20 of 24 (85%) whey samples, while c2 was detected in only one (4%) of these samples. This switch may have been due to the higher susceptibility of c2 to pasteurization (936-like phages were found to be approximately 35 times more resistant than c2 strains to treatment of contaminated milk in a plate heat exchanger at 72 degrees C for 15 s). The restriction patterns of 936-like phages isolated from milk and whey were different, indicating that survival to pasteurization does not result in direct contamination of the dairy environment. The main alternative source of phages (commercial bacterial starters) does not appear to significantly contribute to phage contamination. Twenty-four strains isolated from nine starter formulations were generally resistant to phage infection, and very small progeny were generated upon induction of the lytic cycle of resident prophages. Thus, we postulate that a continuous supply of contaminated milk, followed by pasteurization, creates a factory environment rich in diverse 936 phage strains. This equilibrium would be broken if a particular starter strain turned out to be susceptible to infection by one of these 936-like phages, which, as a consequence, became prevalent.

  4. Modelling the fate of persistent organic pollutants in Europe: parameterisation of a gridded distribution model

    International Nuclear Information System (INIS)

    Prevedouros, Konstantinos; MacLeod, Matthew; Jones, Kevin C.; Sweetman, Andrew J.

    2004-01-01

    A regionally segmented multimedia fate model for the European continent is described together with an illustrative steady-state case study examining the fate of γ-HCH (lindane) based on 1998 emission data. The study builds on the regionally segmented BETR North America model structure and describes the regional segmentation and parameterisation for Europe. The European continent is described by a 5 deg. x 5 deg. grid, leading to 50 regions together with four perimetric boxes representing regions buffering the European environment. Each zone comprises seven compartments including; upper and lower atmosphere, soil, vegetation, fresh water and sediment and coastal water. Inter-regions flows of air and water are described, exploiting information originating from GIS databases and other georeferenced data. The model is primarily designed to describe the fate of Persistent Organic Pollutants (POPs) within the European environment by examining chemical partitioning and degradation in each region, and inter-region transport either under steady-state conditions or fully dynamically. A test case scenario is presented which examines the fate of estimated spatially resolved atmospheric emissions of lindane throughout Europe within the lower atmosphere and surface soil compartments. In accordance with the predominant wind direction in Europe, the model predicts high concentrations close to the major sources as well as towards Central and Northeast regions. Elevated soil concentrations in Scandinavian soils provide further evidence of the potential of increased scavenging by forests and subsequent accumulation by organic-rich terrestrial surfaces. Initial model predictions have revealed a factor of 5-10 underestimation of lindane concentrations in the atmosphere. This is explained by an underestimation of source strength and/or an underestimation of European background levels. The model presented can further be used to predict deposition fluxes and chemical inventories, and it

  5. Urban contamination and dose model

    International Nuclear Information System (INIS)

    Robertson, E.; Barry, P.J.

    1995-10-01

    Nuclear power reactors and other nuclear facilities are being built near or even within urban centres. Accidental releases of radionuclides to the atmosphere in built-up areas result in radiological exposure pathways that differ from those caused by releases in rural environments. Other than inhalation, exposure pathways involve external radiation from the plume while it passes and from radioactivity deposited onto the many and varied surfaces after it has passed. Radiation fields inside buildings are attenuated but many people are potentially exposed so while individual doses may be relatively low, population integrated doses may be high enough to cause concern. It is important, therefore, to assess the potential exposures and to estimate the cost-effectiveness of dose reduction measures in urban environments. This report describes a model developed to carry out such assessments. The model draws heavily on experience gained in European cities after their contamination fallout from the Chernobyl accident. Input is time integrated concentrations of specific radionuclides in urban air, obtained either by direct measurement or by prediction using an atmospheric dispersion model. The code includes default values for site specific variables and transfer parameters but the user is invited if desired to enter other values from the keyboard. Output is the time integrated dose rates for individuals selected because of the characteristic living, working and recreational habits. An accompanying manual documents the technical background on which the model is based and leads a first-time suer through various steps and operations encountered while the model is running. (author). 60 refs., 10 tabs., 1 fig

  6. PATHOGEN TRANSPORT AND FATE MODELING IN THE UPPER SALEM RIVER WATERSHED USING SWAT MODEL - PEER-REVIEWED JOURNAL ARTICLE

    Science.gov (United States)

    Simulation of the fate and transport of pathogen contamination was conducted with SWAT for the Upper Salem River Watershed, located in Salem County, New Jersey. This watershed is 37 km2 and land uses are predominantly agricultural. The watershed drains to a 32 km str...

  7. A polynomial based model for cell fate prediction in human diseases.

    Science.gov (United States)

    Ma, Lichun; Zheng, Jie

    2017-12-21

    Cell fate regulation directly affects tissue homeostasis and human health. Research on cell fate decision sheds light on key regulators, facilitates understanding the mechanisms, and suggests novel strategies to treat human diseases that are related to abnormal cell development. In this study, we proposed a polynomial based model to predict cell fate. This model was derived from Taylor series. As a case study, gene expression data of pancreatic cells were adopted to test and verify the model. As numerous features (genes) are available, we employed two kinds of feature selection methods, i.e. correlation based and apoptosis pathway based. Then polynomials of different degrees were used to refine the cell fate prediction function. 10-fold cross-validation was carried out to evaluate the performance of our model. In addition, we analyzed the stability of the resultant cell fate prediction model by evaluating the ranges of the parameters, as well as assessing the variances of the predicted values at randomly selected points. Results show that, within both the two considered gene selection methods, the prediction accuracies of polynomials of different degrees show little differences. Interestingly, the linear polynomial (degree 1 polynomial) is more stable than others. When comparing the linear polynomials based on the two gene selection methods, it shows that although the accuracy of the linear polynomial that uses correlation analysis outcomes is a little higher (achieves 86.62%), the one within genes of the apoptosis pathway is much more stable. Considering both the prediction accuracy and the stability of polynomial models of different degrees, the linear model is a preferred choice for cell fate prediction with gene expression data of pancreatic cells. The presented cell fate prediction model can be extended to other cells, which may be important for basic research as well as clinical study of cell development related diseases.

  8. Emerging organic contaminants in groundwater : a review of sources, fate and occurrence

    OpenAIRE

    Lapworth, D.J.; Baran, N.; Stuart, M.E.; Ward, R.S.

    2012-01-01

    Emerging organic contaminants (EOCs) detected in groundwater may have adverse effects on human health and aquatic ecosystems. This paper reviews the existing occurrence data in groundwater for a range of EOCs including pharmaceutical, personal care, ‘life-style’ and selected industrial compounds. The main sources and pathways for organic EOCs in groundwater are reviewed, with occurrence data for EOCs in groundwater included from both targeted studies and broad reconnaissance surveys. Nanogram...

  9. Impact of fresh organic matter incorporation on PAH fate in a contaminated industrial soil

    Energy Technology Data Exchange (ETDEWEB)

    Pernot, Audrey [Université de Lorraine, LSE, UMR 1120, Vandoeuvre-lès-Nancy, F-54518 (France); INRA, LSE, UMR 1120, Vandoeuvre-lès-Nancy, F-54518 (France); Université de Lorraine, LIEC, UMR 7360, Vandoeuvre-lès-Nancy, F-54506 (France); CNRS, LIEC, UMR 7360, Vandoeuvre-lès-Nancy, F-54506 (France); Ouvrard, Stéphanie, E-mail: stephanie.ouvrard@univ-lorraine.fr [Université de Lorraine, LSE, UMR 1120, Vandoeuvre-lès-Nancy, F-54518 (France); INRA, LSE, UMR 1120, Vandoeuvre-lès-Nancy, F-54518 (France); Leglize, Pierre [Université de Lorraine, LSE, UMR 1120, Vandoeuvre-lès-Nancy, F-54518 (France); INRA, LSE, UMR 1120, Vandoeuvre-lès-Nancy, F-54518 (France); Watteau, Françoise [Université de Lorraine, LSE, UMR 1120, Vandoeuvre-lès-Nancy, F-54518 (France); INRA, LSE, UMR 1120, Vandoeuvre-lès-Nancy, F-54518 (France); CNRS, UMS 3562, Vandoeuvre-lès-Nancy, F-54501 (France); Derrien, Delphine [INRA, BEF, UR 1138, Centre Nancy-Lorraine, Champenoux, F-54280 (France); and others

    2014-11-01

    The impacts of fresh organic matter (OM) incorporation in an industrial PAH-contaminated soil on its structure and contaminant concentrations (available and total) were monitored. A control soil and a soil amended with the equivalent of 10 years maize residue input were incubated in laboratory-controlled conditions over 15 months. The structure of the amended soil showed an aggregation process trend which is attributable to (i) the enhanced microbial activity resulting from fresh OM input itself and (ii) the fresh OM and its degradation products. Initially the added organic matter was evenly distributed among all granulodensimetric fractions, and then rapidly degraded in the sand fraction, while stabilizing and accumulating in the silts. PAH degradation remained slight, despite the enhanced microbial biomass activity, which was similar to kinetics of the turnover rate of OM in an uncontaminated soil. The silts stabilized the anthropogenic OM and associated PAH. The addition of fresh OM tended to contribute to this stabilization process. Thus, in a context of plant growth on this soil two opposing processes might occur: rhizodegradation of the available contaminant and enhanced stabilization of the less available fraction due to carbon input. - Highlights: • Fresh OM input in an industrial soil leads to aggregation. • TC and δ{sup 13}C increase in fine silts. • Fine silts store both the natural and anthropogenic OM. • PAH concentration and availability are not impacted by an addition of OM.

  10. Impact of fresh organic matter incorporation on PAH fate in a contaminated industrial soil

    International Nuclear Information System (INIS)

    Pernot, Audrey; Ouvrard, Stéphanie; Leglize, Pierre; Watteau, Françoise; Derrien, Delphine

    2014-01-01

    The impacts of fresh organic matter (OM) incorporation in an industrial PAH-contaminated soil on its structure and contaminant concentrations (available and total) were monitored. A control soil and a soil amended with the equivalent of 10 years maize residue input were incubated in laboratory-controlled conditions over 15 months. The structure of the amended soil showed an aggregation process trend which is attributable to (i) the enhanced microbial activity resulting from fresh OM input itself and (ii) the fresh OM and its degradation products. Initially the added organic matter was evenly distributed among all granulodensimetric fractions, and then rapidly degraded in the sand fraction, while stabilizing and accumulating in the silts. PAH degradation remained slight, despite the enhanced microbial biomass activity, which was similar to kinetics of the turnover rate of OM in an uncontaminated soil. The silts stabilized the anthropogenic OM and associated PAH. The addition of fresh OM tended to contribute to this stabilization process. Thus, in a context of plant growth on this soil two opposing processes might occur: rhizodegradation of the available contaminant and enhanced stabilization of the less available fraction due to carbon input. - Highlights: • Fresh OM input in an industrial soil leads to aggregation. • TC and δ 13 C increase in fine silts. • Fine silts store both the natural and anthropogenic OM. • PAH concentration and availability are not impacted by an addition of OM

  11. Occurrence, control and fate of contaminants of emerging concern in environmental compartments in Brazil.

    Science.gov (United States)

    Starling, Maria Clara V M; Amorim, Camila C; Leão, Mônica Maria D

    2018-04-22

    This is the first review to present data obtained in Brazil over the years regarding contaminants of emerging concern (CEC) and to contrast it with contamination in other countries. Data gathered indicated that caffeine, paracetamol, atenolol, ibuprofen, cephalexin and bisphenol A occur in the μg L -1 range in streams near urban areas. While endocrine disruptors are frequently detected in surface waters, highest concentrations account for 17α-ethynylestradiol and 17β-estradiol. Organochlorine pesticides are the most frequently found and persistent in sediments in agricultural regions. Moreover, in tropical agricultural fields, pesticide volatilization and its implications to ecosystem protection must be better investigated. The reality represented here for Brazil may be transposed to other developing countries due to similarities related to primitive basic sanitation infrastructure and economic and social contexts, which contribute to continuous environmental contamination by CEC. Municipal wastewater treatment facilities in Brazil, treat up to the secondary stage and lead to limited CEC removal. This is also true for other nations in Latin America, such as Argentina, Colombia and Mexico. Therefore, it is an urgent priority to improve sanitation infrastructure and, then, the implementation of tertiary treatment shall be imposed. Copyright © 2018 Elsevier B.V. All rights reserved.

  12. Pesticide fate on catchment scale: conceptual modelling of stream CSIA data

    Science.gov (United States)

    Lutz, Stefanie R.; van der Velde, Ype; Elsayed, Omniea F.; Imfeld, Gwenaël; Lefrancq, Marie; Payraudeau, Sylvain; van Breukelen, Boris M.

    2017-10-01

    Compound-specific stable isotope analysis (CSIA) has proven beneficial in the characterization of contaminant degradation in groundwater, but it has never been used to assess pesticide transformation on catchment scale. This study presents concentration and carbon CSIA data of the herbicides S-metolachlor and acetochlor from three locations (plot, drain, and catchment outlets) in a 47 ha agricultural catchment (Bas-Rhin, France). Herbicide concentrations at the catchment outlet were highest (62 µg L-1) in response to an intense rainfall event following herbicide application. Increasing δ13C values of S-metolachlor and acetochlor by more than 2 ‰ during the study period indicated herbicide degradation. To assist the interpretation of these data, discharge, concentrations, and δ13C values of S-metolachlor were modelled with a conceptual mathematical model using the transport formulation by travel-time distributions. Testing of different model setups supported the assumption that degradation half-lives (DT50) increase with increasing soil depth, which can be straightforwardly implemented in conceptual models using travel-time distributions. Moreover, model calibration yielded an estimate of a field-integrated isotopic enrichment factor as opposed to laboratory-based assessments of enrichment factors in closed systems. Thirdly, the Rayleigh equation commonly applied in groundwater studies was tested by our model for its potential to quantify degradation on catchment scale. It provided conservative estimates on the extent of degradation as occurred in stream samples. However, largely exceeding the simulated degradation within the entire catchment, these estimates were not representative of overall degradation on catchment scale. The conceptual modelling approach thus enabled us to upscale sample-based CSIA information on degradation to the catchment scale. Overall, this study demonstrates the benefit of combining monitoring and conceptual modelling of concentration

  13. Fate of Fumonisin B1 in Naturally Contaminated Corn during Ethanol Fermentation

    OpenAIRE

    Bothast, R. J.; Bennett, G. A.; Vancauwenberge, J. E.; Richard, J. L.

    1992-01-01

    Two lots of corn naturally contaminated with fumonisin B1 (15 and 36 ppm) and a control lot (no fumonisin B1 detected) were used as substrates for ethanol production in replicate 8.5-liter yeast fermentations. Ethanol yields were 8.8% for both the control and low-fumonisin corn, while the high-fumonisin corn contained less starch and produced 7.2% ethanol. Little degradation of fumonisin occurred during fermentation, and most was recovered in the distillers' grains, thin stillage, and distill...

  14. Influence of dissimilatory metal reduction on fate of organic and metal contaminants in the subsurface

    Science.gov (United States)

    Lovley, Derek R.; Anderson, Robert T.

    Dissimilatory Fe(III)-reducing microorganisms have the ability to destroy organic contaminants under anaerobic conditions by oxidizing them to carbon dioxide. Some Fe(III)-reducing microorganisms can also reductively dechlorinate chlorinated contaminants. Fe(III)-reducing microorganisms can reduce a variety of contaminant metals and convert them from soluble forms to forms that are likely to be immobilized in the subsurface. Studies in petroleum-contaminated aquifers have demonstrated that Fe(III)-reducing microorganisms can be effective agents in removing aromatic hydrocarbons from groundwater under anaerobic conditions. Laboratory studies have demonstrated the potential for Fe(III)-reducing microorganisms to remove uranium from contaminated groundwaters. The activity of Fe(III)-reducing microorganisms can be stimulated in several ways to enhance organic contaminant oxidation and metal reduction. Molecular analyses in both field and laboratory studies have demonstrated that microorganisms of the genus Geobacter become dominant members of the microbial community when Fe(III)-reducing conditions develop as the result of organic contamination, or when Fe(III) reduction is artificially stimulated. These results suggest that further understanding of the ecophysiology of Geobacter species would aid in better prediction of the natural attenuation of organic contaminants under anaerobic conditions and in the design of strategies for the bioremediation of subsurface metal contamination. Des micro-organismes simulant la réduction du fer ont la capacité de détruire des polluants organiques dans des conditions anérobies en les oxydant en dioxyde de carbone. Certains micro-organismes réducteurs de fer peuvent aussi dé-chlorer par réduction des polluants chlorés. Des micro-organismes réducteurs de fer peuvent réduire tout un ensemble de métaux polluants et les faire passer de formes solubles à des formes qui sont susceptibles d'être immobilisées dans le milieu

  15. Emerging organic contaminants in groundwater: A review of sources, fate and occurrence

    International Nuclear Information System (INIS)

    Lapworth, D.J.; Baran, N.; Stuart, M.E.; Ward, R.S.

    2012-01-01

    Emerging organic contaminants (EOCs) detected in groundwater may have adverse effects on human health and aquatic ecosystems. This paper reviews the existing occurrence data in groundwater for a range of EOCs including pharmaceutical, personal care, ‘life-style’ and selected industrial compounds. The main sources and pathways for organic EOCs in groundwater are reviewed, with occurrence data for EOCs in groundwater included from both targeted studies and broad reconnaissance surveys. Nanogram-microgram per litre concentrations are present in groundwater for a large range of EOCs as well as metabolites and transformation products and under certain conditions may pose a threat to freshwater bodies for decades due to relatively long groundwater residence times. In the coming decades, more of these EOCs are likely to have drinking water standards, environmental quality standards and/or groundwater threshold values defined, and therefore a better understanding of the spatial and temporal variation remains a priority. - Highlights: ► First review to focus on EOCs in groundwater. ► A large range (n > 180) of EOCs are detected in groundwater. ► Significant concentrations (10 2 –10 4 ng/L) for a range of EOCs, including endocrine disruptors. ► Groundwater EOC occurrence is poorly characterised compared to other freshwater resources. - A large range of emerging organic contaminants are now being detected in groundwater as a result of recent and historical anthropogenic activities.

  16. The fate of heavy metals during combustion and gasification of contaminated biomass—A brief review

    Energy Technology Data Exchange (ETDEWEB)

    Nzihou, Ange, E-mail: ange.nzihou@mines-albi.fr [Université de Toulouse, Mines Albi, CNRS, Centre RAPSODEE, Campus Jarlard, F-81013 Albi cedex 09 (France); Stanmore, Brian [Formerly of the University of Queensland, Brisbane, QLD 4072 (Australia)

    2013-07-15

    Highlights: ► A review on metal behaviour during the thermal treatment of contamined biomass. ► Wide range of biomass waste reported. ► Distribution of metals in the ash, and in the sub-micron particles discussed. -- Abstract: The literature on the presence of heavy metals in contaminated wastes is reviewed. Various categories of materials produced from domestic and industrial activities are included, but municipal solid waste, which is a more complex material, is excluded. This review considers among the most abundant the following materials – wood waste including demolition wood, phytoremediation scavengers and chromated copper arsenate (CCA) timber, sludges including de-inking sludge and sewage sludge, chicken litter and spent pot liner. The partitioning of the metals in the ashes after combustion or gasification follows conventional behaviour, with most metals retained, and higher concentrations in the finer sizes due to vaporisation and recondensation. The alkali metals have been shown to catalyse the biomass conversion, particularly lithium and potassium, although other metals are active to a lesser extent. The most prevalent in biomass is potassium, which is not only inherently active, but volatilises to become finely distributed throughout the char mass. Because the metals are predominantly found in the ash, the effectiveness of their removal depends on the efficiency of the collection of particulates. The potential for disposal into soil depends on the initial concentration in the feed material.

  17. The fate of heavy metals during combustion and gasification of contaminated biomass—A brief review

    International Nuclear Information System (INIS)

    Nzihou, Ange; Stanmore, Brian

    2013-01-01

    Highlights: ► A review on metal behaviour during the thermal treatment of contamined biomass. ► Wide range of biomass waste reported. ► Distribution of metals in the ash, and in the sub-micron particles discussed. -- Abstract: The literature on the presence of heavy metals in contaminated wastes is reviewed. Various categories of materials produced from domestic and industrial activities are included, but municipal solid waste, which is a more complex material, is excluded. This review considers among the most abundant the following materials – wood waste including demolition wood, phytoremediation scavengers and chromated copper arsenate (CCA) timber, sludges including de-inking sludge and sewage sludge, chicken litter and spent pot liner. The partitioning of the metals in the ashes after combustion or gasification follows conventional behaviour, with most metals retained, and higher concentrations in the finer sizes due to vaporisation and recondensation. The alkali metals have been shown to catalyse the biomass conversion, particularly lithium and potassium, although other metals are active to a lesser extent. The most prevalent in biomass is potassium, which is not only inherently active, but volatilises to become finely distributed throughout the char mass. Because the metals are predominantly found in the ash, the effectiveness of their removal depends on the efficiency of the collection of particulates. The potential for disposal into soil depends on the initial concentration in the feed material

  18. Limitations of sorption isotherms on modeling groundwater contaminant transport

    International Nuclear Information System (INIS)

    Silva, Eduardo Figueira da

    2007-01-01

    Design and safety assessment of radioactive waste repositories, as well as remediation of radionuclide contaminated groundwater require the development of models capable of accurately predicting trace element fate and transport. Adsorption of trace radionuclides onto soils and groundwater is an important mechanism controlling near- and far- field transport. Although surface complexation models (SCMs) can better describe the adsorption mechanisms of most radionuclides onto mineral surfaces by directly accounting for variability of system properties and mineral surface properties, isotherms are still used to model contaminant transport in groundwater, despite the much higher system dependence. The present work investigates differences between transport model results based on these two approaches for adsorption modeling. A finite element transport model is used for the isotherm model, whereas the computer program PHREEQC is used for the SCM approach. Both models are calibrated for a batch experiment, and one-dimensional transport is simulated using the calibrated parameters. At the lower injected concentrations there are large discrepancies between SCM and isotherm transport predictions, with the SCM presenting much longer tails on the breakthrough curves. Isotherms may also provide non-conservative results for time to breakthrough and for maximum concentration in a contamination plume. Isotherm models are shown not to be robust enough to predict transport behavior of some trace elements, thus discouraging their use. The results also illustrate the promise of the SCM modeling approach in safety assessment and environmental remediation applications, also suggesting that independent batch sorption measurements can be used, within the framework of the SCM, to produce a more versatile and realistic groundwater transport model for radionuclides which is capable of accounting more accurately for temporal and spatial variations in geochemical conditions. (author)

  19. Development and application of the microbial fate and transport module for the Agricultural Policy/Environmental eXtender (APEX) model

    Science.gov (United States)

    Hong, E.; Park, Y.; Muirhead, R.; Jeong, J.; Pachepsky, Y. A.

    2017-12-01

    Pathogenic microorganisms in recreational and irrigation waters remain the subject of concern. Water quality models are used to estimate microbial quality of water sources, to evaluate microbial contamination-related risks, to guide the microbial water quality monitoring, and to evaluate the effect of agricultural management on the microbial water quality. The Agricultural Policy/Environmental eXtender (APEX) is the watershed-scale water quality model that includes highly detailed representation of agricultural management. The APEX currently does not have microbial fate and transport simulation capabilities. The objective of this work was to develop the first APEX microbial fate and transport module that could use the APEX conceptual model of manure removal together with recently introduced conceptualizations of the in-stream microbial fate and transport. The module utilizes manure erosion rates found in the APEX. Bacteria survival in soil-manure mixing layer was simulated with the two-stage survival model. Individual survival patterns were simulated for each manure application date. Simulated in-stream microbial fate and transport processes included the reach-scale passive release of bacteria with resuspended bottom sediment during high flow events, the transport of bacteria from bottom sediment due to the hyporheic exchange during low flow periods, the deposition with settling sediment, and the two-stage survival. Default parameter values were available from recently published databases. The APEX model with the newly developed microbial fate and transport module was applied to simulate seven years of monitoring data for the Toenepi watershed in New Zealand. Based on calibration and testing results, the APEX with the microbe module reproduced well the monitored pattern of E. coli concentrations at the watershed outlet. The APEX with the microbial fate and transport module will be utilized for predicting microbial quality of water under various agricultural

  20. Contaminant transport modeling studies of Russian sites

    International Nuclear Information System (INIS)

    Tsang, Chin-Fu

    1993-01-01

    Lawrence Berkeley Laboratory (LBL) established mechanisms that promoted cooperation between U.S. and Russian scientists in scientific research as well as environmental technology transfer. Using Russian experience and U.S technology, LBL developed approaches for field investigations, site evaluation, waste disposal, and remediation at Russian contaminated sites. LBL assessed a comprehensive database as well as an actual, large-scale contaminated site to evaluate existing knowledge of and test mathematical models used for the assessment of U.S. contaminated sites

  1. Modelling the fate of sulphur-35 in crops. 2. Development and validation of the CROPS-35 model

    International Nuclear Information System (INIS)

    Collins, Chris; Cunningham, Nathan

    2005-01-01

    Gas-cooled nuclear power plants in the UK release sulphur-35 during their routine operation, which can be readily assimilated by vegetation. It is therefore necessary to be able to model the uptake of such releases in order to quantify any potential contamination of the food chain. A model is described which predicts the concentration of 35 S in crop components following an aerial gaseous release. Following deposition the allocation to crop components is determined by an export function from a labile pool, the leaves, to those components growing most actively post exposure. The growth rates are determined by crop growth data, which is also used to determine the concentration. The loss of activity is controlled by radioactive decay only. The paper describes the calibration and the validation of the model. To improve the model, further experimental work is required particularly on the export kinetics of 35 S. It may be possible to adapt such a modelling approach to the prediction of crop content for gaseous releases of 3 H and 14 C from nuclear facilities. - The calibration and validation of a model for the prediction of the fate of 35 S in vegetation is described

  2. Model ecosystem determination of the metabolic and environmental fate of tetrachloro-DDT

    International Nuclear Information System (INIS)

    Cole, R.B.; Metcalf, R.L.

    1987-01-01

    A potential hazardous waste site investigation was conducted by the Environmental Protection Agency to determine whether ground water, surface water, or area soils and sediments were contaminated as a result of waster water discharges or improper solid waste disposal practices of a pesticide manufacturer. One of the compounds discharged into the environment was 1,1,1,2-tetrachloro-2,2-bis(p-chlorophenyl)ethane, commonly referred to as tetrachloro-DDT. Unlike a great many of the DDT analogs, tetrachloro-DDT has come under only limited scrutiny, mainly because it was dismissed as having poor insecticidal properties relative to DDT and other analogs. Its metabolism in ingesting organisms, and degradative pathways in the environment have consequently been left uncertain. This model ecosystem study was undertaken to examine the unanswered questions concerning the metabolic and environmental fate of tetrachloro-DDT. The relevance of this study pertains to disposal practices of pesticide manufacturers who use tetrachloro-DDT as a product precursor

  3. Modeling the fate and transport of bacteria in agricultural and pasture lands using APEX

    Science.gov (United States)

    The Agricultural Policy/Environmental eXtender (APEX) model is a whole farm to small watershed scale continuous simulation model developed for evaluating various land management strategies. The current version, APEX0806, does not have the modeling capacity for fecal indicator bacteria fate and trans...

  4. Modeling Groundwater-Surface Water Interaction and Contaminant Transport of Chlorinated Solvent Contaminated Site

    Science.gov (United States)

    Yimer Ebrahim, Girma; Jonoski, Andreja; van Griensven, Ann; Dujardin, Juliette; Baetelaan, Okke; Bronders, Jan

    2010-05-01

    Chlorinated-solvent form one of the largest groups of environmental chemicals. Their use and misuse in industry have lead to a large entry of these chemicals into the environment, resulting in widespread dissemination and oftentimes environmental contamination. Chlorinated solvent contamination of groundwater resources has been widely reported. For instance, there has been much interest in the assessment of these contaminant levels and their evolutions with time in the groundwater body below the Vilvoorde-Machelen industrial area (Belgium). The long industrial history of the area has lead to complex patterns of pollution from multiple sources and the site has been polluted to the extent that individual plumes are not definable any more. Understanding of groundwater/surface water interaction is a critical component for determining the fate of contaminant both in streams and ground water due to the fact that groundwater and surface water are in continuous dynamic interaction in the hydrologic cycle. The interaction has practical consequences in the quantity and quality of water in either system in the sense that depletion and/or contamination of one of the system will eventually affect the other one. The transition zone between a stream and its adjacent aquifer referred to as the hyporheic zone plays a critical role in governing contaminant exchange and transformation during water exchange between the two water bodies. The hyporheic zone of Zenne River ( the main receptor ) is further complicated due to the fact that the river banks are artificially trained with sheet piles along its reach extending some 12 m below the surface. This study demonstrates the use of MODFLOW, a widely used modular three-dimensional block-centred finite difference, saturated flow model for simulating the flow and direction of movement of groundwater through aquifer and stream-aquifer interaction and the use of transport model RT3D, a three-dimensional multi-species reactive transport model

  5. Nitrogen Fate in a Phreatic Fluviokarst Watershed: a Stable Isotope, Sediment Tracing, and Numerical Modeling Approach

    Science.gov (United States)

    Husic, A.; Fox, J.; Ford, W. I., III; Agouridis, C.; Currens, J. C.; Taylor, C. J.

    2017-12-01

    Sediment tracing tools provide an insight into provenance, fate, and transport of sediment and, when coupled to stable isotopes, can elucidate in-stream biogeochemical processes. Particulate nitrogen fate in fluviokarst systems is a relatively unexplored area of research partially due to the complex hydrodynamics at play in karst systems. Karst topography includes turbulent conduits that transport groundwater and contaminants at speeds more typical of open channel flows than laminar Darcian flows. While it is accepted that karst hydro-geomorphology represents a hybrid surface-subsurface system for fluid, further investigation is needed to determine whether, and to what extent, karst systems behave like surface agricultural streams or porous media aquifers with respect to their role in nitrogen cycling. Our objective is to gain an understanding of in-conduit nitrogen processes and their effect on net nitrogen-exports from karst springs to larger waterbodies. The authors apply water, sediment, carbon, and nitrogen tracing techniques to analyze water for nitrate, sediment carbon and nitrogen, and stable sediment nitrogen isotope (δ15N). Thereafter, a new numerical model is formulated that: simulates dissolved inorganic nitrogen and sediment nitrogen transformations in the phreatic karst conduit; couples carbon turnover and nitrogen transformations in the model structure; and simulates the nitrogen stable isotope mass balance for the dissolved and sediment phases. Nitrogen tracing data results show a significant increase in δ15N of sediment nitrogen at the spring outlet relative to karst inputs indicating the potential for isotope fractionation during dissolved N uptake by bed sediments in the conduit and during denitrification within bed sediments. The new numerical modeling structure is then used to reproduce the data results and provide an estimate of the relative dominance of N uptake and denitrification within the surficial sediments of the karst conduit system

  6. ARSENIC CONTAMINATION IN GROUNDWATER: A STATISTICAL MODELING

    Directory of Open Access Journals (Sweden)

    Palas Roy

    2013-01-01

    Full Text Available High arsenic in natural groundwater in most of the tubewells of the Purbasthali- Block II area of Burdwan district (W.B, India has recently been focused as a serious environmental concern. This paper is intending to illustrate the statistical modeling of the arsenic contaminated groundwater to identify the interrelation of that arsenic contain with other participating groundwater parameters so that the arsenic contamination level can easily be predicted by analyzing only such parameters. Multivariate data analysis was done with the collected groundwater samples from the 132 tubewells of this contaminated region shows that three variable parameters are significantly related with the arsenic. Based on these relationships, a multiple linear regression model has been developed that estimated the arsenic contamination by measuring such three predictor parameters of the groundwater variables in the contaminated aquifer. This model could also be a suggestive tool while designing the arsenic removal scheme for any affected groundwater.

  7. Evaluating the environmental fate of short-chain chlorinated paraffins (SCCPs) in the Nordic environment using a dynamic multimedia model.

    Science.gov (United States)

    Krogseth, Ingjerd S; Breivik, Knut; Arnot, Jon A; Wania, Frank; Borgen, Anders R; Schlabach, Martin

    2013-12-01

    Short chain chlorinated paraffins (SCCPs) raise concerns due to their potential for persistence, bioaccumulation, long-range transport and adverse effects. An understanding of their environmental fate remains limited, partly due to the complexity of the mixture. The purpose of this study was to evaluate whether a mechanistic, integrated, dynamic environmental fate and bioaccumulation multimedia model (CoZMoMAN) can reconcile what is known about environmental emissions and human exposure of SCCPs in the Nordic environment. Realistic SCCP emission scenarios, resolved by formula group, were estimated and used to predict the composition and concentrations of SCCPs in the environment and the human food chain. Emissions at the upper end of the estimated range resulted in predicted total concentrations that were often within a factor of 6 of observations. Similar model performance for a complex group of organic contaminants as for the well-known polychlorinated biphenyls strengthens the confidence in the CoZMoMAN model and implies a relatively good mechanistic understanding of the environmental fate of SCCPs. However, the degree of chlorination predicted for SCCPs in sediments, fish, and humans was higher than observed and poorly established environmental half-lives and biotransformation rate constants contributed to the uncertainties in the predicted composition and ∑SCCP concentrations. Improving prediction of the SCCP composition will also require better constrained estimates of the composition of SCCP emissions. There is, however, also large uncertainty and lack of coherence in the existing observations, and better model-measurement agreement will require improved analytical methods and more strategic sampling. More measurements of SCCP levels and compositions in samples from background regions are particularly important.

  8. Agricultural contaminants in Quaternary aquitards: A review of occurrence and fate in North America

    Science.gov (United States)

    Rodvang, S. J.; Simpkins, W. W.

    2001-01-01

    The intensity of agriculture has increased significantly during the past 30 years, resulting in increased detection of agricultural contaminants (nutrients, pesticides, salts, trace elements, and pathogens) in groundwater. Till, glaciolacustrine, and loess deposits of Quaternary age compose the most common surficial deposits underlying agricultural areas in North America. Quaternary aquitards generally contain higher concentrations of solid organic carbon (SOC, as much as 1.4%), dissolved organic carbon (DOC, as much as 205 mg/L), and reduced sulfur (as much as 0.9%) than do aquifers. Their potential to sorb pesticides increases with the percent of older SOC, because diagenesis increases Koc. Denitrification consistently reduces nitrate to non-detectable levels in unweathered Quaternary aquitards. Organic carbon of Quaternary age is a more labile electron donor than carbon from shale clasts. Pyrite is a more labile electron donor than carbon in many instances. Unweathered Quaternary aquitards provide a high degree of protection for underlying aquifers, due to their large reserves of SOC and reduced sulfur for sorption and denitrification, combined with their typically low hydraulic conductivity. In contrast, agricultural contaminants are common in weathered Quaternary aquitards. Lower reserves of reduced sulfur and sorptive/labile organic carbon, and a higher bulk K due to fractures, limit their ability to attenuate nitrate and pesticides. Subsurface drainage, which is common in Quaternary aquitards because of high water tables, bypasses the attenuation capacity of Quaternary aquitards and facilitates the transport of agricultural contaminants to surface water. Résumé. L'agriculture s'est significativement accrue au cours des dernières 30 années, provoquant une détection plus fréquente dans les eaux souterraines de contaminants agricoles (engrais, pesticides, sels, éléments en traces et germes pathogènes). Les moraines, les formations glacio-lacustres et

  9. Centrifuge modelling of contaminant transport processes

    OpenAIRE

    Culligan, P. J.; Savvidou, C.; Barry, D. A.

    1996-01-01

    Over the past decade, research workers have started to investigate problems of subsurface contaminant transport through physical modelling on a geotechnical centrifuge. A major advantage of this apparatus is its ability to model complex natural systems in a controlled laboratory environment In this paper, we discusses the principles and scaling laws related to the centrifugal modelling of contaminant transport, and presents four examples of recent work that has bee...

  10. Evaluation of the fate of arsenic-contaminated groundwater at different aquifers of Thar coalfield Pakistan.

    Science.gov (United States)

    Ali, Jamshed; Kazi, Tasneem G; Baig, Jameel A; Afridi, Hassan I; Arain, Mariam S; Ullah, Naeem; Brahman, Kapil D; Arain, Sadaf S; Panhwar, Abdul H

    2015-12-01

    In present study, the ground water at different aquifers was evaluated for physicochemical parameters, iron, total arsenic, total inorganic arsenic and arsenic species (arsenite and arsenate). The samples of groundwater were collected at different depths, first aquifer (AQ1) 50-60 m, second aquifer (AQ2) 100-120 m, and third aquifer (AQ3) 200-250 m of Thar coalfield, Pakistan. Total inorganic arsenic was determined by solid phase extraction using titanium dioxide as an adsorbent. The arsenite was determined by cloud point extraction using ammonium pyrrolidinedithiocarbamate as a chelating reagent, and resulted complex was extracted by Triton X-114. The resulted data of groundwater were reported in terms of basic statistical parameters, principal component, and cluster analysis. The resulted data indicated that physicochemical parameters of groundwater of different aquifers were exceeded the World Health Organization provisional guideline for drinking water except pH and SO4(2-). The positive correlation was observed between arsenic species and physicochemical parameters of groundwater except F(-) and K(+), which might be caused by geochemical minerals. Results of cluster analysis indicated that groundwater samples of AQ1 was highly contaminated with arsenic species as compared to AQ2 and AQ3 (p > 0.05).

  11. Addressing the complexity of water chemistry in environmental fate modeling for engineered nanoparticles.

    Science.gov (United States)

    Sani-Kast, Nicole; Scheringer, Martin; Slomberg, Danielle; Labille, Jérôme; Praetorius, Antonia; Ollivier, Patrick; Hungerbühler, Konrad

    2015-12-01

    Engineered nanoparticle (ENP) fate models developed to date - aimed at predicting ENP concentration in the aqueous environment - have limited applicability because they employ constant environmental conditions along the modeled system or a highly specific environmental representation; both approaches do not show the effects of spatial and/or temporal variability. To address this conceptual gap, we developed a novel modeling strategy that: 1) incorporates spatial variability in environmental conditions in an existing ENP fate model; and 2) analyzes the effect of a wide range of randomly sampled environmental conditions (representing variations in water chemistry). This approach was employed to investigate the transport of nano-TiO2 in the Lower Rhône River (France) under numerous sets of environmental conditions. The predicted spatial concentration profiles of nano-TiO2 were then grouped according to their similarity by using cluster analysis. The analysis resulted in a small number of clusters representing groups of spatial concentration profiles. All clusters show nano-TiO2 accumulation in the sediment layer, supporting results from previous studies. Analysis of the characteristic features of each cluster demonstrated a strong association between the water conditions in regions close to the ENP emission source and the cluster membership of the corresponding spatial concentration profiles. In particular, water compositions favoring heteroaggregation between the ENPs and suspended particulate matter resulted in clusters of low variability. These conditions are, therefore, reliable predictors of the eventual fate of the modeled ENPs. The conclusions from this study are also valid for ENP fate in other large river systems. Our results, therefore, shift the focus of future modeling and experimental research of ENP environmental fate to the water characteristic in regions near the expected ENP emission sources. Under conditions favoring heteroaggregation in these

  12. Molecular contamination math model support

    Science.gov (United States)

    Wells, R.

    1983-01-01

    The operation and features of a preprocessor for the Shuttle/Payload Contamination Evaluation Program Version 2) are described. A preliminary preprocessor for SPACE 2 is developed. Further refinements and enhancements of the preprocessor to insure complete user friendly operation, are recommended.

  13. How do long-term development and periodical changes of river-floodplain systems affect the fate of contaminants? Results from European rivers

    International Nuclear Information System (INIS)

    Lair, G.J.; Zehetner, F.; Fiebig, M.; Gerzabek, M.H.; Gestel, C.A.M. van; Hein, T.; Hohensinner, S.; Hsu, P.; Jones, K.C.; Jordan, G.; Koelmans, A.A.

    2009-01-01

    In many densely populated areas, riverine floodplains have been strongly impacted and degraded by river channelization and flood protection dikes. Floodplains act as buffers for flood water and as filters for nutrients and pollutants carried with river water and sediment from upstream source areas. Based on results of the EU-funded 'AquaTerra' project (2004-2009), we analyze changes in the dynamics of European river-floodplain systems over different temporal scales and assess their effects on contaminant behaviour and ecosystem functioning. We find that human-induced changes in the hydrologic regime of rivers have direct and severe consequences on nutrient cycling and contaminant retention in adjacent floodplains. We point out the complex interactions of contaminants with nutrient availability and other physico-chemical characteristics (pH, organic matter) in determining ecotoxicity and habitat quality, and draw conclusions for improved floodplain management. - Human activities have changed the hydraulics and contaminant fate in river-floodplain ecosystems.

  14. Modelling the occurrence, transport and fate of pharmaceuticals in wastewater systems

    DEFF Research Database (Denmark)

    Snip, Laura J.P.; Flores Alsina, Xavier; Plósz, Benedek Gy

    2014-01-01

    This paper demonstrates how occurrence, transport and fate of pharmaceuticals at trace levels can be assessed when modelling wastewater treatment systems using two case studies. Firstly, two approaches based on: 1) phenomenology; and, 2) Markov Chains, are developed to describe the dynamics...... approach; and, iii) future pathways to improve the overall modelling of micropollutants...

  15. GLOBOX : A spatially differentiated global fate, intake and effect model for toxicity assessment in LCA

    NARCIS (Netherlands)

    Wegener Sleeswijk, Anneke; Heijungs, Reinout

    GLOBOX is a model for the calculation of spatially differentiated LCA toxicity characterisation factors on a global scale. It can also be used for human and environmental risk assessment. The GLOBOX model contains equations for the calculation of fate, intake and effect factors, and equations for

  16. Fate of effluent-borne contaminants beneath septic tank drainfields overlying a Karst aquifer.

    Science.gov (United States)

    Katz, Brian G; Griffin, Dale W; McMahon, Peter B; Harden, Harmon S; Wade, Edgar; Hicks, Richard W; Chanton, Jeffrey P

    2010-01-01

    Groundwater quality effects from septic tanks were investigated in the Woodville Karst Plain, an area that contains numerous sinkholes and a thin veneer of sands and clays overlying the Upper Floridan aquifer (UFA). Concerns have emerged about elevated nitrate concentrations in the UFA, which is the source of water supply in this area of northern Florida. At three sites during dry and wet periods in 2007-2008, water samples were collected from the septic tank, shallow and deep lysimeters, and drainfield and background wells in the UFA and analyzed for multiple chemical indicators including nutrients, nitrate isotopes, organic wastewater compounds (OWCs), pharmaceutical compounds, and microbiological indicators (bacteria and viruses). Median NO3-N concentration in groundwater beneath the septic tank drainfields was 20 mg L(-1) (8.0-26 mg L(-1)). After adjusting for dilution, about 25 to 40% N loss (from denitrification, ammonium sorption, and ammonia volatilization) occurs as septic tank effluent moves through the unsaturated zone to the water table. Nitrogen loading rates to groundwater were highly variable at each site (3.9-12 kg N yr(-1)), as were N and chloride depth profiles in the unsaturated zone. Most OWCs and pharmaceutical compounds were highly attenuated beneath the drainfields; however, five Cs (caffeine, 1,7-dimethylxanthine, phenol, galaxolide, and tris(dichloroisotopropyl)phosphate) and two pharmaceutical compounds (acetaminophen and sulfamethoxazole) were detected in groundwater samples. Indicator bacteria and human enteric viruses were detected in septic tank effluent samples but only intermittently in soil water and groundwater. Contaminant movement to groundwater beneath each septic tank system also was related to water use and differences in lithology at each site.

  17. Diurnal cycles control the fate of contaminants at an Andean river confluence impacted by legacy mining

    Science.gov (United States)

    Pasten, P.; Guerra, P. A.; Simonson, K.; Bonilla, C.; Pizarro, G. E.; Escauriaza, C. R.; González, C.

    2014-12-01

    The importance of hydrologic-geochemical interactions in arid environments is a controlling factor in quality and quantity of water available for human consumption and agriculture. When acid drainage affects these watersheds, water quality is gravely degraded. Despite its effect on watersheds, the relationship between time changes in hydrological variables and water quality in arid regions has not been studied thoroughly. Temporal variations in acid drainage can control when the transport of toxic elements is increased. We performed field work at the Azufre River (pH 2, E.C~10.9 mS/cm) and Caracarani River (pH 8.7, E.C~1.2 mS/cm) confluence, located in the Northern Chilean Altiplano (at 4000 m asl). We registered stream flowrates (total flowrate~430 L/s), temperature and electric conductivity (E.C) hourly using in-stream data loggers during one year. We also measured turbidity and pH during one field survey at different distances from the junction, as a proxy of the formation of iron-aluminum particles that cycle trace elements in these environments. We found turbidity-pH diurnal cycles were caused by upstream hourly changes in upstream flowrate: when the Caracarani River flowrate reached its daily peak, particle formation occurred, while the dissolution of particles occurred when the Azufre River reached its maximum value. This last process occurred due to upstream freeze-thaw cycles. This study shows how the dynamics of natural confluences determines chemical transport. The formation of particles enriched in toxic elements can promote settling as a natural attenuation process, while their dissolution will produce their release and transport long distances downstream. It is important to consider time as an important variable in water quality monitoring and in water management infrastructure where pulses of contamination can have potentially negative effects in its use. Acknowledgements: Funding was provided by "Proyecto Fondecyt 1130936" and "CONICYT

  18. Prediction of the fate of Hg and other contaminants in soil around a former chlor-alkali plant using Fuzzy Hierarchical Cross-Clustering approach.

    Science.gov (United States)

    Frenţiu, Tiberiu; Ponta, Michaela; Sârbu, Costel

    2015-11-01

    An associative simultaneous fuzzy divisive hierarchical algorithm was used to predict the fate of Hg and other contaminants in soil around a former chlor-alkali plant. The algorithm was applied on several natural and anthropogenic characteristics of soil including water leachable, mobile, semi-mobile, non-mobile fractions and total Hg, Al, Ba, Ca, Cr, Cu, Fe, K, Li, Mg, Mn, Na, Sr, Zn, water leachable fraction of Cl(-), NO3(-) and SO4(2)(-), pH and total organic carbon. The cross-classification algorithm provided a divisive fuzzy partition of the soil samples and associated characteristics. Soils outside the perimeter of the former chlor-alkali plant were clustered based on the natural characteristics and total Hg. In contaminated zones Hg speciation becomes relevant and the assessment of species distribution is necessary. The descending order of concentration of Hg species in the test site was semi-mobile>mobile>non-mobile>water-leachable. Physico-chemical features responsible for similarities or differences between uncontaminated soil samples or contaminated with Hg, Cu, Zn, Ba and NO3(-) were also highlighted. Other characteristics of the contaminated soil were found to be Ca, sulfate, Na and chloride, some of which with influence on Hg fate. The presence of Ca and sulfate in soil induced a higher water leachability of Hg, while Cu had an opposite effect by forming amalgam. The used algorithm provided an in-deep understanding of processes involving Hg species and allowed to make prediction of the fate of Hg and contaminants linked to chlor-alkali-industry. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. THE WEATHERING OF A SULFIDE OREBODY: SPECIATION AND FATE OF SOME POTENTIAL CONTAMINANTS

    Energy Technology Data Exchange (ETDEWEB)

    Courtin-Nomade, Alexandra; Grosbois, Cecile; Marcus, Matthew A.; Fakra, Sirine C.; Beny, Jean Michel; Foster, Andrea L.

    2010-07-16

    trace element distribution and relative abundance of the unweathered sulfides, this orebody still represents a significant reservoir of potential contaminants for the watershed, especially in the non-mining site, as a much greater proportion of sulfides is left to react and because of the lower porosity in this site.

  20. Multimedia fate modeling and risk assessment of a commonly used azole fungicide climbazole at the river basin scale in China.

    Science.gov (United States)

    Zhang, Qian-Qian; Ying, Guang-Guo; Chen, Zhi-Feng; Liu, You-Sheng; Liu, Wang-Rong; Zhao, Jian-Liang

    2015-07-01

    Climbazole is an antidandruff active ingredient commonly used in personal care products, but little is known about its environmental fate. The aim of this study was to evaluate the fate of climbazole in water, sediment, soil and air compartments of the whole China by using a level III multimedia fugacity model. The usage of climbazole was calculated to be 345 t in the whole China according to the market research data, and after wastewater treatment a total emission of 245 t was discharged into the receiving environment with approximately 93% into the water compartment and 7% into the soil compartment. The developed fugacity model was successfully applied to estimate the contamination levels and mass inventories of climbazole in various environmental compartments of the river basins in China. The predicted environmental concentration ranges of climbazole were: 0.20-367 ng/L in water, and 0.009-25.2 ng/g dry weight in sediment. The highest concentration was mainly found in Haihe River basin and the lowest was in basins of Tibet and Xinjiang regions. The mass inventory of climbazole in the whole China was estimated to be 294 t, with 6.79% in water, 83.7% in sediment, 9.49% in soil, and 0.002% in air. Preliminary risk assessment showed high risks in sediment posed by climbazole in 2 out of 58 basins in China. The medium risks in water and sediment were mostly concentrated in north China. To the best of our knowledge, it is the first report on the emissions and multimedia fate of climbazole in the river basins of the whole China. Copyright © 2015 Elsevier B.V. All rights reserved.

  1. Modeling bistable cell-fate choices in the Drosophila eye: qualitative and quantitative perspectives

    Science.gov (United States)

    Graham, Thomas G. W.; Tabei, S. M. Ali; Dinner, Aaron R.; Rebay, Ilaria

    2010-01-01

    A major goal of developmental biology is to understand the molecular mechanisms whereby genetic signaling networks establish and maintain distinct cell types within multicellular organisms. Here, we review cell-fate decisions in the developing eye of Drosophila melanogaster and the experimental results that have revealed the topology of the underlying signaling circuitries. We then propose that switch-like network motifs based on positive feedback play a central role in cell-fate choice, and discuss how mathematical modeling can be used to understand and predict the bistable or multistable behavior of such networks. PMID:20570936

  2. Review of nitrogen fate models applicable to forest landscapes in the Southern U.S.

    Science.gov (United States)

    D. M. Amatya; C. G. Rossi; A. Saleh; Z. Dai; M. A. Youssef; R. G. Williams; D. D. Bosch; G. M. Chescheir; G. Sun; R. W. Skaggs; C. C. Trettin; E. D. Vance; J. E. Nettles; S. Tian

    2013-01-01

    Assessing the environmental impacts of fertilizer nitrogen (N) used to increase productivity in managed forests is complex due to a wide range of abiotic and biotic factors affecting its forms and movement. Models developed to predict fertilizer N fate (e.g., cycling processes) and water quality impacts vary widely in their design, scope, and potential application. We...

  3. The Oak Ridge Field Research Center : Advancing Scientific Understanding of the Transportation, Fate, and Remediation of Subsurface Contamination Sources and Plumes

    International Nuclear Information System (INIS)

    David Watson

    2005-01-01

    Historical research, development, and testing of nuclear materials across this country resulted in subsurface contamination that has been identified at over 7,000 discrete sites across the U.S. Department of Energy (DOE) complex. With the end of the Cold War threat, DOE has shifted its emphasis to remediation, decommissioning, and decontamination of the immense volumes of contaminated groundwater, sediments, and structures at its sites. DOE currently is responsible for remediating 1.7 trillion gallons of contaminated groundwater, an amount equal to approximately four times the daily U.S. water consumption, and 40 million cubic meters of contaminated soil, enough to fill approximately 17 professional sports stadiums.* DOE also sponsors research intended to improve or develop remediation technologies, especially for difficult, currently intractable contaminants or conditions. The Oak Ridge FRC is representative of some difficult sites, contaminants, and conditions. Buried wastes in contact with a shallow water table have created huge reservoirs of contamination. Rainfall patterns affect the water table level seasonally and over time. Further, the hydrogeology of the area, with its fractures and karst geology, affects the movement of contaminant plumes. Plumes have migrated long distances and to surface discharge points through ill-defined preferred flowpaths created by the fractures and karst conditions. From the standpoint of technical effectiveness, remediation options are limited, especially for contaminated groundwater. Moreover, current remediation practices for the source areas, such as capping, can affect coupled processes that, in turn, may affect the movement of subsurface contaminants in unknown ways. Research conducted at the FRC or with FRC samples therefore promotes understanding of the processes that influence the transport and fate of subsurface contaminants, the effectiveness and long-term consequences of extant remediation options, and the

  4. ARSENIC CONTAMINATION IN GROUNDWATER: A STATISTICAL MODELING

    OpenAIRE

    Palas Roy; Naba Kumar Mondal; Biswajit Das; Kousik Das

    2013-01-01

    High arsenic in natural groundwater in most of the tubewells of the Purbasthali- Block II area of Burdwan district (W.B, India) has recently been focused as a serious environmental concern. This paper is intending to illustrate the statistical modeling of the arsenic contaminated groundwater to identify the interrelation of that arsenic contain with other participating groundwater parameters so that the arsenic contamination level can easily be predicted by analyzing only such parameters. Mul...

  5. Performance testing of the sediment-contaminant transport model, SERATRA, at different rivers

    International Nuclear Information System (INIS)

    Onishi, Y.; Yabusaki, S.B.; Kincaid, C.T.

    1982-04-01

    Mathematical models of sediment-contaminant migration in surface water must account for transport, intermedia transfer, decay and degradation, and transformation processes. The unsteady, two dimensional, sediment-contaminant transport code, SERATRA (Onishi, Schreiber and Codell 1980) includes these mechanisms. To assess the accuracy of SERATRA to simulate the sediment-contaminant transport and fate processes, the code was tested against one-dimensional analytical solutions, checked for its mass balance, and applied to field sites. The field application cases ranged from relatively simple, steady conditions to unsteady, nonuniform conditions for large, intermediate, and small rivers. It was found that SERATRA is capable of simulating sediment-contaminant transport under a wide range of conditions

  6. Evaluation of Different Modeling Approaches to Simulate Contaminant Transport in a Fractured Limestone Aquifer

    Science.gov (United States)

    Mosthaf, K.; Rosenberg, L.; Balbarini, N.; Broholm, M. M.; Bjerg, P. L.; Binning, P. J.

    2014-12-01

    It is important to understand the fate and transport of contaminants in limestone aquifers because they are a major drinking water resource. This is challenging because they are highly heterogeneous; with micro-porous grains, flint inclusions, and being heavily fractured. Several modeling approaches have been developed to describe contaminant transport in fractured media, such as the discrete fracture (with various fracture geometries), equivalent porous media (with and without anisotropy), and dual porosity models. However, these modeling concepts are not well tested for limestone geologies. Given available field data and model purpose, this paper therefore aims to develop, examine and compare modeling approaches for transport of contaminants in fractured limestone aquifers. The model comparison was conducted for a contaminated site in Denmark, where a plume of a dissolved contaminant (PCE) has migrated through a fractured limestone aquifer. Multilevel monitoring wells have been installed at the site and available data includes information on spill history, extent of contamination, geology and hydrogeology. To describe the geology and fracture network, data from borehole logs was combined with an analysis of heterogeneities and fractures from a nearby excavation (analog site). Methods for translating the geological information and fracture mapping into each of the model concepts were examined. Each model was compared with available field data, considering both model fit and measures of model suitability. An analysis of model parameter identifiability and sensitivity is presented. Results show that there is considerable difference between modeling approaches, and that it is important to identify the right one for the actual scale and model purpose. A challenge in the use of field data is the determination of relevant hydraulic properties and interpretation of aqueous and solid phase contaminant concentration sampling data. Traditional water sampling has a bias

  7. Characterization and simulation of fate and transport of selected volatile organic compounds in the vicinities of the Hadnot Point Industrial Area and landfill: Chapter A Supplement 6 in Analyses and historical reconstruction of groundwater flow, contaminant fate and transport, and distribution of drinking water within the service areas of the Hadnot Point and Holcomb Boulevard Water Treatment Plants and vicinities, U.S. Marine Corps Base Camp Lejeune, North Carolina

    Science.gov (United States)

    Jones, L. Elliott; Suárez-Soto, René J.; Anderson, Barbara A.; Maslia, Morris L.

    2013-01-01

    This supplement of Chapter A (Supplement 6) describes the reconstruction (i.e. simulation) of historical concentrations of tetrachloroethylene (PCE), trichloroethylene (TCE), and benzene3 in production wells supplying water to the Hadnot Base (USMCB) Camp Lejeune, North Carolina (Figure S6.1). A fate and transport model (i.e., MT3DMS [Zheng and Wang 1999]) was used to simulate contaminant migration from source locations through the groundwater system and to estimate mean contaminant concentrations in water withdrawn from water-supply wells in the vicinity of the Hadnot Point Industrial Area (HPIA) and the Hadnot Point landfill (HPLF) area.4 The reconstructed contaminant concentrations were subsequently input into a flow-weighted, materials mass balance (mixing) model (Masters 1998) to estimate monthly mean concentrations of the contaminant in finished water 5 at the HPWTP (Maslia et al. 2013). The calibrated fate and transport models described herein were based on and used groundwater velocities derived from groundwater-flow models that are described in Suárez-Soto et al. (2013). Information data pertinent to historical operations of water-supply wells are described in Sautner et al. (2013) and Telci et al. (2013).

  8. A mercury transport and fate model (LM2-mercury) for mass budget assessment of mercury cycling in Lake Michigan

    Science.gov (United States)

    LM2-Mercury, a mercury mass balance model, was developed to simulate and evaluate the transport, fate, and biogeochemical transformations of mercury in Lake Michigan. The model simulates total suspended solids (TSS), disolved organic carbon (DOC), and total, elemental, divalent, ...

  9. Modeling the Transport and Fate of Fecal Pollution and Nutrients of Miyun Reservoir

    Science.gov (United States)

    Liu, L.; Fu, X.; Wang, G.

    2009-12-01

    Miyun Reservoir, a mountain valley reservoir, is located 100 km northeast of Beijing City. Besides the functions of flood control, irrigation and fishery for Beijing area, Miyun Reservoir is the main drinking water storage for Beijing city. The water quality is therefore of great importance. Recently, the concentration of fecal pollution and nutrients in the reservoir are constantly rising to arrest the attention of Beijing municipality. Fecal pollution from sewage is a significant public health concern due to the known presence of human viruses and parasites in these discharges. To investigate the transport and fate of the fecal pollution and nutrients at Miyun reservoir and the health risks associated with drinking and fishery, the reservoir and two tributaries, Chaohe river and Baihe river discharging into it are being examined for bacterial, nutrients and other routine pollution. To understand the relative importance of different processes influencing pollution transport and inactivation, a finite-element model of surf-zone hydrodynamics (coupled with models for temperature, fecal pollution, nutrients and other routine contaminants) is used. The developed models are being verified by the observed water quality data including water temperature, conductivities and dissolved oxygen from the reservoir and its tributaries. Different factors impacting the inactivation of fecal pollution and the transport of nutrients such as water temperature, sedimentation, sunlight insolation are evaluated for Miyun reservoir by a sensitivity analysis analogized from the previous research of Lake Michigan (figure 1, indicating that solar insolation dominates the inactivation of E. Coli, an indicator of fecal pollution, Liu et al. 2006). The calibrated modeling system can be used to temporally and spatially simulate and predict the variation of the concentration of fecal pollution and nutrients of Miyun reservoir. Therefore this research can provide a forecasting tool for the

  10. Estimating demographic parameters using a combination of known-fate and open N-mixture models.

    Science.gov (United States)

    Schmidt, Joshua H; Johnson, Devin S; Lindberg, Mark S; Adams, Layne G

    2015-10-01

    Accurate estimates of demographic parameters are required to infer appropriate ecological relationships and inform management actions. Known-fate data from marked individuals are commonly used to estimate survival rates, whereas N-mixture models use count data from unmarked individuals to estimate multiple demographic parameters. However, a joint approach combining the strengths of both analytical tools has not been developed. Here we develop an integrated model combining known-fate and open N-mixture models, allowing the estimation of detection probability, recruitment, and the joint estimation of survival. We demonstrate our approach through both simulations and an applied example using four years of known-fate and pack count data for wolves (Canis lupus). Simulation results indicated that the integrated model reliably recovered parameters with no evidence of bias, and survival estimates were more precise under the joint model. Results from the applied example indicated that the marked sample of wolves was biased toward individuals with higher apparent survival rates than the unmarked pack mates, suggesting that joint estimates may be more representative of the overall population. Our integrated model is a practical approach for reducing bias while increasing precision and the amount of information gained from mark-resight data sets. We provide implementations in both the BUGS language and an R package.

  11. Modeling the fate of organic micropollutants during river bank filtration (Berlin, Germany).

    Science.gov (United States)

    Henzler, Aline F; Greskowiak, Janek; Massmann, Gudrun

    2014-01-01

    Emerging organic contaminants (EOCs) are frequently detected in urban surface water and the adjacent groundwater and are therefore an increasing problem for potable water quality. River bank filtration (RBF) is a beneficial pretreatment step to improve surface water quality for potable use. Removal is mainly caused by microbial degradation of micropollutants, while sorption retards the transport. The quantification of biodegradation and adsorption parameters for EOCs at field scale is still scarce. In this study, the fate and behavior of a range of organic compounds during RBF were investigated using a two dimensional numerical flow- and transport model. The data base used emanated from a project conducted in Berlin, Germany (NASRI: Natural and Artificial Systems for Recharge and Infiltration). Oxygen isotope signatures and hydraulic head data were used for model calibration. Afterwards, twelve organic micropollutants were simulated with a reactive transport model. Three compounds (primidone, EDTA, and AMDOPH) showed conservative behavior (no biodegradation or sorption). For the nine remaining compounds (1.5 NDSA, AOX, AOI, MTBE, carbamazepine, clindamycin, phenazone, diclofenac and sulfamethoxazole), degradation and/or sorption was observed. 1.5 NDSA and AOX were not sorbed, but slightly degraded with model results for λ=2.25e(-3) 1/d and 2.4e(-3) 1/d. For AOI a λ=0.0106 1/d and R=1 were identified. MTBE could be characterized well assuming R=1 and a low 1st order degradation rate constant (λ=0.0085 1/d). Carbamazepine degraded with a half life time of about 66 days after a threshold value of 0.2-0.3 μg/L was exceeded and retarded slightly (R=1.7). Breakthrough curves of clindamycin, phenazone, diclofenac and sulfamethoxazole could be fitted less well, probably due to the dependency of degradation on temperature and redox conditions, which are highly transient at the RBF site. Conditions range from oxic to anoxic (up to iron-reducing), with the oxic and

  12. Environmental fate and transport analysis with compartment modeling

    National Research Council Canada - National Science Library

    Little, Keith W

    2012-01-01

    .... Discussing various modeling issues in a single volume, this text provides an introduction to a specific numerical modeling technique called the compartment approach and offers a practical user's guide to the GEM...

  13. Using gridded multimedia model to simulate spatial fate of Benzo[α]pyrene on regional scale.

    Science.gov (United States)

    Liu, Shijie; Lu, Yonglong; Wang, Tieyu; Xie, Shuangwei; Jones, Kevin C; Sweetman, Andrew J

    2014-02-01

    Predicting the environmental multimedia fate is an essential step in the process of assessing the human exposure and health impacts of chemicals released into the environment. Multimedia fate models have been widely applied to calculate the fate and distribution of chemicals in the environment, which can serve as input to a human exposure model. In this study, a grid based multimedia fugacity model at regional scale was developed together with a case study modeling the fate and transfer of Benzo[α]pyrene (BaP) in Bohai coastal region, China. Based on the estimated emission and in-site survey in 2008, the BaP concentrations in air, vegetation, soil, fresh water, fresh water sediment and coastal water as well as the transfer fluxes were derived under the steady-state assumption. The model results were validated through comparison between the measured and modeled concentrations of BaP. The model results indicated that the predicted concentrations of BaP in air, fresh water, soil and sediment generally agreed with field observations. Model predictions suggest that soil was the dominant sink of BaP in terrestrial systems. Flow from air to soil, vegetation and costal water were three major pathways of BaP inter-media transport processes. Most of the BaP entering the sea was transferred by air flow, which was also the crucial driving force in the spatial distribution processes of BaP. The Yellow River, Liaohe River and Daliao River played an important role in the spatial transformation processes of BaP. Compared with advection outflow, degradation was more important in removal processes of BaP. Sensitivities of the model estimates to input parameters were tested. The result showed that emission rates, compartment dimensions, transport velocity and degradation rates of BaP were the most influential parameters for the model output. Monte Carlo simulation was carried out to determine parameter uncertainty, from which the coefficients of variation for the estimated Ba

  14. Processes influencing the transport and fate of contaminated sediments in the coastal ocean: Boston Harbor and Massachusetts Bay

    Science.gov (United States)

    Alexander, P. Soupy; Baldwin, Sandra M.; Blackwood, Dann S.; Borden, Jonathan; Casso, Michael A.; Crusius, John; Goudreau, Joanne; Kalnejais, Linda H.; Lamothe, Paul J.; Martin, William R.; Martini, Marinna A.; Rendigs, Richard R.; Sayles, Frederick L.; Signell, Richard P.; Valentine, Page C.; Warner, John C.; Bothner, Michael H.; Butman, Bradford

    2007-01-01

    Most of the major urban centers of the United States including Boston, New York, Washington, Chicago, New Orleans, Miami, Los Angeles, San Francisco, and Seattle—are on a coast (fig. 1.1). All of these cities discharge treated sewage effluent into adjacent waters. In 2000, 74 percent of the U.S. population lived within 200 kilometers (km) of the coast. Between 1980 and 2002, the population density in coastal communities increased approximately 4.5 times faster than in noncoastal areas of the U.S. (Perkins, 2004). More people generate larger volumes of wastes, increase the demands on wastewater treatment, expand the area of impervious land surfaces, and use more vehicles that contribute contaminants to street runoff. According to the National Coastal Condition Report II (U.S. Environmental Protection Agency, 2005a), on the basis of coastal habitat, water and sediment quality, benthic index, and fish tissue, the overall national coastal condition is only poor to fair and the overall coastal condition in the highly populated Northeast is poor. Scientific information helps managers to prioritize and regulate coastal-ocean uses that include recreation, commercial fishing, transportation, waste disposal, and critical habitat for marine organisms. These uses are often in conflict with each other and with environmental concerns. Developing a strategy for managing competing uses while maintaining sustainability of coastal resources requires scientific understanding of how the coastal ocean system behaves and how it responds to anthropogenic influences. This report provides a summary of a multidisciplinary research program designed to improve our understanding of the transport and fate of contaminants in Massachusetts coastal waters. Massachusetts Bay and Boston Harbor have been a focus of U.S. Geological Survey (USGS) research because they provide a diverse geographic setting for developing a scientific understanding of the geology, geochemistry, and oceanography of

  15. Modeling the emission, transport and deposition of contaminated dust from a mine tailing site.

    Science.gov (United States)

    Stovern, Michael; Betterton, Eric A; Sáez, A Eduardo; Villar, Omar Ignacio Felix; Rine, Kyle P; Russell, Mackenzie R; King, Matt

    2014-01-01

    Mining operations are potential sources of airborne particulate metal and metalloid contaminants through both direct smelter emissions and wind erosion of mine tailings. The warmer, drier conditions predicted for the Southwestern US by climate models may make contaminated atmospheric dust and aerosols increasingly important, due to potential deleterious effects on human health and ecology. Dust emissions and dispersion of contaminants from the Iron King Mine tailings in Dewey-Humboldt, Arizona, a Superfund site, are currently being investigated through in situ field measurements and computational fluid dynamics modeling. These tailings are significantly contaminated with lead and arsenic with an average soil concentration of 1616 and 1420 ppm, respectively. Similar levels of these contaminants have also been measured in soil samples taken from the area surrounding the mine tailings. Using a computational fluid dynamics model, we have been able to model dust transport from the mine tailings to the surrounding region. The model includes a distributed Eulerian model to simulate fine aerosol transport and a Lagrangian approach to model fate and transport of larger particles. In order to improve the accuracy of the dust transport simulations both regional topographical features and local weather patterns have been incorporated into the model simulations.

  16. Development and evaluation of the microbial fate and transport module for the Agricultural Policy/Environmental eXtender (APEX) model

    Science.gov (United States)

    Hong, Eun-Mi; Park, Yongeun; Muirhead, Richard; Pachepsky, Yakov

    2017-04-01

    Pathogenic microorganisms in recreational and irrigation waters remain the subject of concern. Water quality models are used to estimate microbial quality of water sources, to evaluate microbial contamination-related risks, to guide the microbial water quality monitoring, and to evaluate the effect of agricultural management on the microbial water quality. The Agricultural Policy/Environmental eXtender (APEX) is the watershed-scale water quality model that includes highly detailed representation of agricultural management. The APEX currently does not have microbial fate and transport simulation capabilities. The objective of this work was to develop the first APEX microbial fate and transport module that could use the APEX conceptual model of manure removal together with recently introduced conceptualizations of the in-stream microbial fate and transport. The module utilizes manure erosion rates found in the APEX. The total number of removed bacteria was set to the concentrations of bacteria in soil-manure mixing layer and eroded manure amount. Bacteria survival in soil-manure mixing layer was simulated with the two-stage survival model. Individual survival patterns were simulated for each manure application date. Simulated in-stream microbial fate and transport processes included the reach-scale passive release of bacteria with resuspended bottom sediment during high flow events, the transport of bacteria from bottom sediment due to the hyporheic exchange during low flow periods, the deposition with settling sediment, and the two-stage survival. Default parameter values were available from recently published databases. The APEX model with the newly developed microbial fate and transport module was applied to simulate seven years of monitoring data for the Toenepi watershed in New Zealand. The stream network of the watershed ran through grazing lands with the daily bovine waste deposition. Based on calibration and testing results, the APEX with the microbe module

  17. Simplified fate modelling in respect to ecotoxicological and human toxicological characterisation of emissions of chemical compounds

    DEFF Research Database (Denmark)

    Birkved, Morten; Heijungs, Reinout

    2011-01-01

    The impact assessment of chemical compounds in Life Cycle Impact Assessment (LCIA) and Environmental Risk Assessment (ERA) requires a vast amount of data on the properties of the chemical compounds being assessed. The purpose of the present study is to explore statistical options for reduction...... of the data demand associated with characterisation of chemical emissions in LCIA and ERA.Based on a USEtox™ characterisation factor set consisting of 3,073 data records, multi-dimensional bilinear models for emission compartment specific fate characterisation of chemical emissions were derived by application...... the independent chemical input parameters from the minimum data set, needed for characterisation in USEtox™, according to general availability, importance and relevance for fate factor prediction.Each approach (63% and 75% of the minimum data set needed for characterisation in USEtox™) yielded 66 meta...

  18. Mitochondrial metabolism in early neural fate and its relevance for neuronal disease modeling.

    Science.gov (United States)

    Lorenz, Carmen; Prigione, Alessandro

    2017-12-01

    Modulation of energy metabolism is emerging as a key aspect associated with cell fate transition. The establishment of a correct metabolic program is particularly relevant for neural cells given their high bioenergetic requirements. Accordingly, diseases of the nervous system commonly involve mitochondrial impairment. Recent studies in animals and in neural derivatives of human pluripotent stem cells (PSCs) highlighted the importance of mitochondrial metabolism for neural fate decisions in health and disease. The mitochondria-based metabolic program of early neurogenesis suggests that PSC-derived neural stem cells (NSCs) may be used for modeling neurological disorders. Understanding how metabolic programming is orchestrated during neural commitment may provide important information for the development of therapies against conditions affecting neural functions, including aging and mitochondrial disorders. Copyright © 2017. Published by Elsevier Ltd.

  19. Georeferenced fate modelling of LAS in the itter stream

    DEFF Research Database (Denmark)

    Schulze, C:; Matthies, M.; Trapp, S.

    1999-01-01

    For the simulation of spatial concentration patterns of 'down-the-drain' chemicals mathematical models were coupled with a Geographic Information System (GIS) to predict concentrations in the receiving surface waters, using the detergent chemicals Linear Alkylbenzenesulfonate (LAS) and Boron and ...... in the riverine water and the water quality parameters TOC and ammonium, This study is closely linked to the ongoing project GREAT-ER. (C) 1999 Elsevier Science Ltd. All rights reserved....

  20. Developing an integrated 3D-hydrodynamic and emerging contaminant model for assessing water quality in a Yangtze Estuary Reservoir.

    Science.gov (United States)

    Xu, Cong; Zhang, Jingjie; Bi, Xiaowei; Xu, Zheng; He, Yiliang; Gin, Karina Yew-Hoong

    2017-12-01

    An integrated 3D-hydrodynamic and emerging contaminant model was developed for better understanding of the fate and transport of emerging contaminants in Qingcaosha Reservoir. The reservoir, which supplies drinking water for nearly half of Shanghai's population, is located in Yangtze Delta. The integrated model was built by Delft3D suite, a fully integrated multidimensional modeling software. Atrazine and Bisphenol A (BPA) were selected as two representative emerging contaminants for the study in this reservoir. The hydrodynamic model was calibrated and validated against observations from 2011 to 2015 while the integrated model was calibrated against observations from 2014 to 2015 and then applied to explore the potential risk of high atrazine concentrations in the reservoir driven by agriculture activities. Our results show that the model is capable of describing the spatial and temporal patterns of water temperature, salinity and the dynamic distributions of two representative emerging contaminants (i.e. atrazine and BPA) in the reservoir. The physical and biodegradation processes in this study were found to play a crucial role in determining the fate and transport of atrazine and BPA in the reservoir. The model also provides an insight into the potential risk of emerging contaminants and possible mitigation thresholds. The integrated approach can be a very useful tool to support policy-makers in the future management of Qingcaosha Reservoir. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Fate and transport of mercury in soil systems : a numerical model in HP1 and sensitivity analysis

    Science.gov (United States)

    Leterme, Bertrand; Jacques, Diederik

    2013-04-01

    Mercury (Hg) poses threats for human health and the environment, notably due to its persistence and its ability to bioaccumulate in ecosystems. Anthropogenic activities are major contributors of mercury release to soils. Main sources of contamination include manufacturing (chlor-alkali plants, manometer spill), mine tailings from mercury, gold and silver mining industries, wood preservation. The objective of this study was to develop a reactive transport model for simulating mercury fate and transport in the unsaturated zone, and to gain insight in the fate and transport of Hg following anthropogenic soil contamination. The present work is done in the framework of the IMaHg project, which aims at providing recommendations to improve management of sites contaminated by mercury within the SNOWMAN funding framework. A model of mercury fate and transport in soil systems was developed using the reactive transport code HP1 (Jacques and Šimůnek, 2010). The geochemical database THERMODDEM (Blanc et al., 2012) is used, augmented with some speciation data from (Skyllberg, 2012). The main processes accounted for in the model are : Hg aqueous speciation (including complexation with dissolved organic matter (DOM) - humic and fulvic acids, and thiol groups), Hg sorption to solid organic matter (SOM), dissolution of solid phase Hg (e.g. cinnabar HgS(s)), dissolution of Hg non-aqueous liquid phase (NAPL), sunlight-driven Hg(II) reduction to Hg(0), Hg(0) diffusion in the gas phase and volatilization, DOM sorption to soil minerals. Colloid facilitated transport is implicitly accounted for by solute transport of Hg-DOM complexes. Because we focused on soil systems having a high Hg contamination, some processes showing relatively smaller Hg fluxes could be neglected such as vegetation uptake and atmospheric wet and dry deposition. NAPL migration and entrapment is not modelled, as pollution is assumed to be historical and only residual NAPL to be present. Mercury methylation and

  2. Sequential use of the STICS crop model and of the MACRO pesticide fate model to simulate pesticides leaching in cropping systems.

    Science.gov (United States)

    Lammoglia, Sabine-Karen; Moeys, Julien; Barriuso, Enrique; Larsbo, Mats; Marín-Benito, Jesús-María; Justes, Eric; Alletto, Lionel; Ubertosi, Marjorie; Nicolardot, Bernard; Munier-Jolain, Nicolas; Mamy, Laure

    2017-03-01

    The current challenge in sustainable agriculture is to introduce new cropping systems to reduce pesticides use in order to reduce ground and surface water contamination. However, it is difficult to carry out in situ experiments to assess the environmental impacts of pesticide use for all possible combinations of climate, crop, and soils; therefore, in silico tools are necessary. The objective of this work was to assess pesticides leaching in cropping systems coupling the performances of a crop model (STICS) and of a pesticide fate model (MACRO). STICS-MACRO has the advantage of being able to simulate pesticides fate in complex cropping systems and to consider some agricultural practices such as fertilization, mulch, or crop residues management, which cannot be accounted for with MACRO. The performance of STICS-MACRO was tested, without calibration, from measurements done in two French experimental sites with contrasted soil and climate properties. The prediction of water percolation and pesticides concentrations with STICS-MACRO was satisfactory, but it varied with the pedoclimatic context. The performance of STICS-MACRO was shown to be similar or better than that of MACRO. The improvement of the simulation of crop growth allowed better estimate of crop transpiration therefore of water balance. It also allowed better estimate of pesticide interception by the crop which was found to be crucial for the prediction of pesticides concentrations in water. STICS-MACRO is a new promising tool to improve the assessment of the environmental risks of pesticides used in cropping systems.

  3. Effects of corresponding and non-corresponding contaminants on the fate of sulfonamide and quinolone resistance genes in the Laizhou Bay, China.

    Science.gov (United States)

    Li, Qianwei; Na, Guangshui; Zhang, Linxiao; Lu, Zihao; Gao, Hui; Li, Ruijing; Jin, Shuaichen

    2018-03-01

    The environmental behaviors and migration patterns of antibiotic resistance genes (ARGs) have attracted considerable research interest. However, there has been little research concerning the effects of corresponding and non-corresponding contaminants on the fate of ARGs in coastal environments. In the present study, the distribution of intI1, sul1, sul2, qnrS and aac(6')-Ib were analyzed in water and sediment samples of Laizhou Bay in the context of corresponding and non-corresponding contaminants. The abundance of intI1, sul1 and sul2 genes exhibited a clear decreasing trend extending from the inner estuary to the coastal area. Strong and positive correlations existed between sul1/sul2 and sulfonamide antibiotic residues in sediments, and between the abundances of intI1 and sul1/sul2. Statistical analyses indicated that non-corresponding contaminants were partially correlated with ARG abundances. These results suggest that non-corresponding contaminants may have direct or indirect influences on the abundances of ARGs and intI1 in the Laizhou Bay. Copyright © 2018 Elsevier Ltd. All rights reserved.

  4. Polycyclic aromatic hydrocarbons - fate and long-range atmospheric transport studied using a global model, EMAC-SVOC

    Science.gov (United States)

    Octaviani, Mega; Tost, Holger; Lammel, Gerhard

    2017-04-01

    Polycyclic aromatic hydrocarbons (PAHs) are emitted by incomplete combustion from fossil fuel, vehicles, and biomass burning. They may persist in environmental compartments, pose a health hazard and may bio accumulate along food chains. The ECHAM/MESSy Atmospheric Chemistry (EMAC) model had been used to simulate global tropospheric, stratospheric chemistry and climate. In this study, we improve the model to include simulations of the transport and fate of semi-volatile organic compounds (SVOC). The EMAC-SVOC model takes into account essential environmental processes including gas-particle partitioning, dry and wet deposition, chemical and bio-degradation, and volatilization from sea surface, soils, vegetation, and snow. The model was evaluated against observational data in the Arctic, mid-latitudes, and tropics, and further applied to study total environmental lifetime and long-range transport potential (LRTP) of PAHs. We selected four compounds for study, spanning a wide range of volatility, i.e., phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene. Several LRTP indicators were investigated, including the Arctic contamination potential, meridional spreading, and zonal and meridional fluxes to remote regions.

  5. Modeling bacterial contamination of fuel ethanol fermentation.

    Science.gov (United States)

    Bischoff, Kenneth M; Liu, Siqing; Leathers, Timothy D; Worthington, Ronald E; Rich, Joseph O

    2009-05-01

    The emergence of antibiotic-resistant bacteria may limit the effectiveness of antibiotics to treat bacterial contamination in fuel ethanol plants, and therefore, new antibacterial intervention methods and tools to test their application are needed. Using shake-flask cultures of Saccharomyces cerevisiae grown on saccharified corn mash and strains of lactic acid bacteria isolated from a dry-grind ethanol facility, a simple model to simulate bacterial contamination and infection was developed. Challenging the model with 10(8) CFU/mL Lactobacillus fermentum decreased ethanol yield by 27% and increased residual glucose from 6.2 to 45.5 g/L. The magnitude of the effect was proportional to the initial bacterial load, with 10(5) CFU/mL L. fermentum still producing an 8% decrease in ethanol and a 3.2-fold increase in residual glucose. Infection was also dependent on the bacterial species used to challenge the fermentation, as neither L. delbrueckii ATCC 4797 nor L. amylovorus 0315-7B produced a significant decrease in ethanol when inoculated at a density of 10(8) CFU/mL. In the shake-flask model, treatment with 2 microg/mL virginiamycin mitigated the infection when challenged with a susceptible strain of L. fermentum (MIC for virginiamycin model may find application in developing new antibacterial agents and management practices for use in controlling contamination in the fuel ethanol industry. Copyright 2008 Wiley Periodicals, Inc.

  6. CAirTOX: A compartment model for assessing the fate of and human exposure to toxic-chemical emissions to air

    Energy Technology Data Exchange (ETDEWEB)

    McKone, T.E.

    1993-10-01

    CAirTOX has been developed as a spreadsheet model to assist in making a risk assessment of toxic air emissions. With CAirTOX, one can address how contaminants released to an air basin can lead to contamination of soil, food, surface water, and sediments. The modeling effort includes a multimedia transport and transformation model, exposure scenario models, and efforts to quantify uncertainty in multimedia, multiple-pathway exposure assessments. The multimedia transport and transformation model is a steady-state, but non-equilibrium model that can be used to assess concentrations of contaminants released continuously to air. In Part 1, the authors describe the multimedia transport and transformation model used to determine the fate of air emissions. In Part 2, they describe inputs and data needs for CAirTOX and the development of a set of landscape factors, which can be used to represent regional air basin/water-shed systems in California. In Part 3, they describe the multiple-pathway exposure scenarios and exposure algorithms. In Part 4, they compare the HRA approach and results and the CAirTOX exposure equations. In Part 5, they consider model sensitivity and uncertainty to determine how variability and uncertainty in model inputs affects the precision, accuracy, and credibility of the model output.

  7. On the fate of the Standard Model at finite temperature

    Energy Technology Data Exchange (ETDEWEB)

    Rose, Luigi Delle; Marzo, Carlo [Università del Salento, Dipartimento di Matematica e Fisica “Ennio De Giorgi' ,Via Arnesano, 73100 Lecce (Italy); INFN - Sezione di Lecce,via Arnesano, 73100 Lecce (Italy); Urbano, Alfredo [SISSA - International School for Advanced Studies,via Bonomea 256, 34136 Trieste (Italy)

    2016-05-10

    In this paper we revisit and update the computation of thermal corrections to the stability of the electroweak vacuum in the Standard Model. At zero temperature, we make use of the full two-loop effective potential, improved by three-loop beta functions with two-loop matching conditions. At finite temperature, we include one-loop thermal corrections together with resummation of daisy diagrams. We solve numerically — both at zero and finite temperature — the bounce equation, thus providing an accurate description of the thermal tunneling. Assuming a maximum temperature in the early Universe of the order of 10{sup 18} GeV, we find that the instability bound excludes values of the top mass M{sub t}≳173.6 GeV, with M{sub h}≃125 GeV and including uncertainties on the strong coupling. We discuss the validity and temperature-dependence of this bound in the early Universe, with a special focus on the reheating phase after inflation.

  8. Radionuclide fate and effects

    International Nuclear Information System (INIS)

    Anon.

    1983-01-01

    The studies reported here deal with the full range of contaminant behavior and fate, from the initial physicochemical factors that govern radionuclide availability in terrestrial and aquatic environments to studies of contaminant transport by biological means. By design, we focus more on the biologically and chemically mediated transport processes and food-chain pathways than on the purely physical forms of contaminant transport, such as transport by wind and water

  9. Modeling electrokinetic transport in phenol contaminated soils

    Energy Technology Data Exchange (ETDEWEB)

    Zorn, R.; Haus, R.; Czurda, K. [Dept. of Applied Geology, Univ. Karlsruhe (Germany)

    2001-07-01

    Numerical simulations are compared to laboratory experiments of electroremediation in soils contaminated by phenolic pollutants. The developing pH affects the electrokinetic transport behaviour of phenol. It is found that a water chemistry model must be included in an electrokinetic mass transport model to describe the process of electroremediation more accurately, if no buffering system is used at the electrodes. In the case of controlling the pH at the electrode compartments only a simplified chemical reaction model must be included in the numerical code to match the experimental phenolic transport. (orig.)

  10. A model assessment of polychlorinated dibenzo-p-dioxin and dibenzofuran sources and fate in the Baltic Sea.

    Science.gov (United States)

    Armitage, James M; McLachlan, Michael S; Wiberg, Karin; Jonsson, Per

    2009-06-01

    The contamination of the Baltic Sea with polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) has resulted in restrictions on the marketing and consumption of Baltic Sea fish, making this a priority environmental issue in the European Union. To date there is no consensus on the relative importance of different sources of PCDD/Fs to the Baltic Sea, and hence no consensus on how to address this issue. In this work we synthesized the available information to create a PCDD/F budget for the Baltic Sea, focusing on the two largest basins, the Bothnian Sea and the Baltic Proper. The non-steady state multimedia fate and transport model POPCYCLING-Baltic was employed, using recent data for PCDD/F concentrations in air and sediment as boundary conditions. The PCDD/F concentrations in water predicted by the model were in good agreement with recent measurements. The budget demonstrated that atmospheric deposition was the dominant source of PCDD/Fs to the basins as a whole. This conclusion was supported by a statistical comparison of the PCDD/F congener patterns in surface sediments from accumulation bottoms with the patterns in ambient air, bulk atmospheric deposition, and a range of potential industrial sources. Prospective model simulations indicated that the PCDD/F concentrations in the water column will continue to decrease in the coming years due to the slow response of the Baltic Sea system to falling PCDD/F inputs in the last decades, but that the decrease would be more pronounced if ambient air concentrations were to drop further in the future, for instance as a result of reduced emissions. The study illustrates the usefulness of using monitoring data and multimedia models in an integrated fashion to address complex organic contaminant issues.

  11. Evaluating the Environmental Fate of Short-Chain Chlorinated Paraffins (SCCPs) in the Nordic Environment Using a Dynamic Multimedia Model

    OpenAIRE

    Krogseth, Ingjerd Sunde; Breivik, Knut; Arnot, Jon A; Wania, Frank; Borgen, Anders; Schlabach, Martin

    2013-01-01

    Short chain chlorinated paraffins (SCCPs) raise concerns due to their potential for persistence, bioaccumulation, long-range transport and adverse effects. An understanding of their environmental fate remains limited, partly due to the complexity of the mixture. The purpose of this study was to evaluate whether a mechanistic, integrated, dynamic environmental fate and bioaccumulation multimedia model (CoZMoMAN) can reconcile what is known about environmental emissions and human exposure of SC...

  12. Using model-based screening to help discover unknown environmental contaminants.

    Science.gov (United States)

    McLachlan, Michael S; Kierkegaard, Amelie; Radke, Michael; Sobek, Anna; Malmvärn, Anna; Alsberg, Tomas; Arnot, Jon A; Brown, Trevor N; Wania, Frank; Breivik, Knut; Xu, Shihe

    2014-07-01

    Of the tens of thousands of chemicals in use, only a small fraction have been analyzed in environmental samples. To effectively identify environmental contaminants, methods to prioritize chemicals for analytical method development are required. We used a high-throughput model of chemical emissions, fate, and bioaccumulation to identify chemicals likely to have high concentrations in specific environmental media, and we prioritized these for target analysis. This model-based screening was applied to 215 organosilicon chemicals culled from industrial chemical production statistics. The model-based screening prioritized several recognized organosilicon contaminants and generated hypotheses leading to the selection of three chemicals that have not previously been identified as potential environmental contaminants for target analysis. Trace analytical methods were developed, and the chemicals were analyzed in air, sewage sludge, and sediment. All three substances were found to be environmental contaminants. Phenyl-tris(trimethylsiloxy)silane was present in all samples analyzed, with concentrations of ∼50 pg m(-3) in Stockholm air and ∼0.5 ng g(-1) dw in sediment from the Stockholm archipelago. Tris(trifluoropropyl)trimethyl-cyclotrisiloxane and tetrakis(trifluoropropyl)tetramethyl-cyclotetrasiloxane were found in sediments from Lake Mjøsa at ∼1 ng g(-1) dw. The discovery of three novel environmental contaminants shows that models can be useful for prioritizing chemicals for exploratory assessment.

  13. Environmental fate and exposure models: advances and challenges in 21st century chemical risk assessment.

    Science.gov (United States)

    Di Guardo, Antonio; Gouin, Todd; MacLeod, Matthew; Scheringer, Martin

    2018-01-24

    Environmental fate and exposure models are a powerful means to integrate information on chemicals, their partitioning and degradation behaviour, the environmental scenario and the emissions in order to compile a picture of chemical distribution and fluxes in the multimedia environment. A 1995 pioneering book, resulting from a series of workshops among model developers and users, reported the main advantages and identified needs for research in the field of multimedia fate models. Considerable efforts were devoted to their improvement in the past 25 years and many aspects were refined; notably the inclusion of nanomaterials among the modelled substances, the development of models at different spatial and temporal scales, the estimation of chemical properties and emission data, the incorporation of additional environmental media and processes, the integration of sensitivity and uncertainty analysis in the simulations. However, some challenging issues remain and require research efforts and attention: the need of methods to estimate partition coefficients for polar and ionizable chemical in the environment, a better description of bioavailability in different environments as well as the requirement of injecting more ecological realism in exposure predictions to account for the diversity of ecosystem structures and functions in risk assessment. Finally, to transfer new scientific developments into the realm of regulatory risk assessment, we propose the formation of expert groups that compare, discuss and recommend model modifications and updates and help develop practical tools for risk assessment.

  14. Fate of Escherichia coli O26 in Corn Silage Experimentally Contaminated at Ensiling, at Silo Opening, or after Aerobic Exposure, and Protective Effect of Various Bacterial Inoculants▿

    Science.gov (United States)

    Dunière, Lysiane; Gleizal, Audrey; Chaucheyras-Durand, Frédérique; Chevallier, Isabelle; Thévenot-Sergentet, Delphine

    2011-01-01

    Shiga toxin-producing Escherichia coli (STEC) strains are responsible for human illness. Ruminants are recognized as a major reservoir of STEC, and animal feeds, such as silages, have been pointed out as a possible vehicle for the spread of STEC. The present study aimed to monitor the fate of pathogenic E. coli O26 strains in corn material experimentally inoculated (105 CFU/g) during ensiling, just after silo opening, and after several days of aerobic exposure. The addition of 3 bacterial inoculants, Propionibacterium sp., Lactobacillus buchneri, and Leuconostoc mesenteroides (106 CFU/g), was evaluated for their abilities to control these pathogens. The results showed that E. coli O26 could not survive in corn silage 5 days postensiling, and the 3 inoculants tested did not modify the fate of pathogen survival during ensiling. In the case of direct contamination at silo opening, E. coli O26 could be totally eradicated from corn silage previously inoculated with Leuconostoc mesenteroides. The combination of proper ensiling techniques and the utilization of selected bacterial inoculants appears to represent a good strategy to guarantee nutritional qualities of cattle feed while at the same time limiting the entry of pathogenic E. coli into the epidemiological cycle to improve the microbial safety of the food chain. PMID:21984243

  15. Fate modeling of mercury species and fluxes estimation in an urban river

    International Nuclear Information System (INIS)

    Tong, Yindong; Zhang, Wei; Chen, Cen; Chen, Long; Wang, Wentao; Hu, Xindi; Wang, Huanhuan; Hu, Dan; Ou, Langbo; Wang, Xuejun; Wang, Qiguang

    2014-01-01

    The fate and transfer of mercury in urban river is an important environmental concern. In this study, QWASI (Quantitative Water–Air–Sediment Interaction) model was selected to estimate the levels of total mercury and three mercury species in water and sediment, and was used to quantify the fluxes of mercury at water/air and sediment/water interfaces of an urban river. The predicted mercury levels in water and sediments were closed to the measured values. Water inflow, re-suspension of sediment and diffusion from sediment to water are major input sources of mercury in water. The net mercury transfer flux from water to air was 0.16 ng/(m 2 h). At the sediment/water interface, a net total mercury transfer of 1.32 ng/(m 2 h) from water to sediment was seen. In addition to the existing dynamic flux chambers measurement, this model method could provide a new perspective to identify the distribution and transfer of mercury in the urban river. -- Highlights: • QWASI could be a good tool to quantify transfer and fate of mercury in environment. • Distribution and flux of mercury species in an urban river was modeled. • Mercury in water mainly came from water inflow, sediment re-suspension and diffusion. • Net mercury transfer from water to air and sediment were 0.16 and 1.32 ng/(m 2 h). -- Quantitative Water–Air–Sediment Interaction model was used to quantify the transfer and fate of mercury in an urban river

  16. Assessment of the Environmental Fate of the Herbicides Flufenacet and Metazachlor with the SWAT Model.

    Science.gov (United States)

    Fohrer, Nicola; Dietrich, Antje; Kolychalow, Olga; Ulrich, Uta

    2014-01-01

    This study aims to assess the environmental fate of the commonly used herbicides flufenacet and metazachlor in the Northern German Lowlands with the ecohydrological Soil and Water Assessment Tool (SWAT model) and to test the sensitivity of pesticide-related input parameters on the modeled transport dynamics. The river discharge of the Kielstau watershed was calibrated (Nash-Sutcliffe efficiency [NSE], 0.83; = 0.84) and validated (NSE, 0.76; = 0.77) for a daily time step. The environmental fate of metazachlor (NSE, 0.68; = 0.62) and flufenacet (NSE, 0.13; = 0.51) was simulated adequately. In comparison to metazachlor, the simulated flufenacet concentration and loads show a lower model efficiency due to the weaker simulation of the stream flow. The in-stream herbicide loads were less than 0.01% of the applied amount in the observed time period and thus not in conflict with European Environmental Legislation. The sensitivity analysis showed that, besides the accurate simulation of stream flow, the parameterization of the temporal and spatial distribution of the herbicide application throughout the watershed is the key factor for appropriate modeling results, whereas the physicochemical properties of the pesticides play a minor role in the modeling process. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

  17. Fate of polychlorinated biphenyls in a contaminated lake ecosystem: Combining equilibrium passive sampling of sediment and water with total concentration measurements of biota

    DEFF Research Database (Denmark)

    Mäenpää, Kimmo; Leppänen, Matti T.; Figueiredo, Kaisa

    2015-01-01

    Equilibrium sampling devices can be applied to study and monitor the exposure and fate of hydrophobic organic chemicals on a thermodynamic basis. They can be used to determine freely dissolved concentrations and chemical activity ratios and to predict equilibrium partitioning concentrations...... of hydrophobic organic chemicals in biota lipids. The authors' aim was to assess the equilibrium status of polychlorinated biphenyls (PCBs) in a contaminated lake ecosystem and along its discharge course using equilibrium sampling devices for measurements in sediment and water and by also analyzing biota....... The authors used equilibrium sampling devices (silicone rubber and polyethylene [PE]) to determine freely dissolved concentrations and chemical activities of PCBs in the water column and sediment porewater and calculated for both phases the corresponding equilibrium concentrations and chemical activities...

  18. Monod kinetics rather than a first-order degradation model explains atrazine fate in soil mini-columns: Implications for pesticide fate modelling

    International Nuclear Information System (INIS)

    Cheyns, K.; Mertens, J.; Diels, J.; Smolders, E.; Springael, D.

    2010-01-01

    Pesticide transport models commonly assume first-order pesticide degradation kinetics for describing reactive transport in soil. This assumption was assessed in mini-column studies with associated batch degradation tests. Soil mini-columns were irrigated with atrazine in two intermittent steps of about 30 days separated by 161 days application of artificial rain water. Atrazine concentration in the effluent peaked to that of the influent concentration after initial break-through but sharply decreased while influx was sustained, suggesting a degradation lag phase. The same pattern was displayed in the second step but peak height and percentage of atrazine recovered in the effluent were lower. A Monod model with biomass decay was successfully calibrated to this data. The model was successfully evaluated against batch degradation data and mini-column experiments at lower flow rate. The study suggested that first-order degradation models may underestimate risk of pesticide leaching if the pesticide degradation potential needs amplification during degradation. - Population dynamics of pesticide degrading population should be taken into account when predictions of pesticide fate are made to avoid underestimation of pesticide break-through towards groundwater.

  19. Modeling Organic Contaminant Desorption from Municipal Solid Waste Components

    Science.gov (United States)

    Knappe, D. R.; Wu, B.; Barlaz, M. A.

    2002-12-01

    Approximately 25% of the sites on the National Priority List (NPL) of Superfund are municipal landfills that accepted hazardous waste. Unlined landfills typically result in groundwater contamination, and priority pollutants such as alkylbenzenes are often present. To select cost-effective risk management alternatives, better information on factors controlling the fate of hydrophobic organic contaminants (HOCs) in landfills is required. The objectives of this study were (1) to investigate the effects of HOC aging time, anaerobic sorbent decomposition, and leachate composition on HOC desorption rates, and (2) to simulate HOC desorption rates from polymers and biopolymer composites with suitable diffusion models. Experiments were conducted with individual components of municipal solid waste (MSW) including polyvinyl chloride (PVC), high-density polyethylene (HDPE), newsprint, office paper, and model food and yard waste (rabbit food). Each of the biopolymer composites (office paper, newsprint, rabbit food) was tested in both fresh and anaerobically decomposed form. To determine the effects of aging on alkylbenzene desorption rates, batch desorption tests were performed after sorbents were exposed to toluene for 30 and 250 days in flame-sealed ampules. Desorption tests showed that alkylbenzene desorption rates varied greatly among MSW components (PVC slowest, fresh rabbit food and newsprint fastest). Furthermore, desorption rates decreased as aging time increased. A single-parameter polymer diffusion model successfully described PVC and HDPE desorption data, but it failed to simulate desorption rate data for biopolymer composites. For biopolymer composites, a three-parameter biphasic polymer diffusion model was employed, which successfully simulated both the initial rapid and the subsequent slow desorption of toluene. Toluene desorption rates from MSW mixtures were predicted for typical MSW compositions in the years 1960 and 1997. For the older MSW mixture, which had a

  20. Integrative modelling of the influence of MAPK network on cancer cell fate decision.

    Directory of Open Access Journals (Sweden)

    Luca Grieco

    2013-10-01

    Full Text Available The Mitogen-Activated Protein Kinase (MAPK network consists of tightly interconnected signalling pathways involved in diverse cellular processes, such as cell cycle, survival, apoptosis and differentiation. Although several studies reported the involvement of these signalling cascades in cancer deregulations, the precise mechanisms underlying their influence on the balance between cell proliferation and cell death (cell fate decision in pathological circumstances remain elusive. Based on an extensive analysis of published data, we have built a comprehensive and generic reaction map for the MAPK signalling network, using CellDesigner software. In order to explore the MAPK responses to different stimuli and better understand their contributions to cell fate decision, we have considered the most crucial components and interactions and encoded them into a logical model, using the software GINsim. Our logical model analysis particularly focuses on urinary bladder cancer, where MAPK network deregulations have often been associated with specific phenotypes. To cope with the combinatorial explosion of the number of states, we have applied novel algorithms for model reduction and for the compression of state transition graphs, both implemented into the software GINsim. The results of systematic simulations for different signal combinations and network perturbations were found globally coherent with published data. In silico experiments further enabled us to delineate the roles of specific components, cross-talks and regulatory feedbacks in cell fate decision. Finally, tentative proliferative or anti-proliferative mechanisms can be connected with established bladder cancer deregulations, namely Epidermal Growth Factor Receptor (EGFR over-expression and Fibroblast Growth Factor Receptor 3 (FGFR3 activating mutations.

  1. Sediment carbon fate in phreatic karst (Part 1): Conceptual model development

    Science.gov (United States)

    Husic, A.; Fox, J.; Agouridis, C.; Currens, J.; Ford, W.; Taylor, C.

    2017-06-01

    Recent research has paid increased attention to quantifying the fate of carbon pools within fluvial networks, but few, if any, studies consider the fate of sediment organic carbon in fluviokarst systems despite that karst landscapes cover 12% of the earth's land surface. The authors develop a conceptual model of sediment carbon fate in karst terrain with specific emphasis upon phreatic karst conduits, i.e., those located below the groundwater table that have the potential to trap surface-derived sediment and turnover carbon. To assist with their conceptual model development, the authors study a phreatic system and apply a mixture of methods traditional and novel to karst studies, including electrical resistivity imaging, well drilling, instantaneous velocimetry, dye tracing, stage recording, discrete and continuous sediment and water quality sampling, and elemental and stable carbon isotope fingerprinting. Results show that the sediment transport carrying capacity of the phreatic karst water is orders of magnitude less than surface streams during storm-activated periods promoting deposition of fine sediments in the phreatic karst. However, the sediment transport carrying capacity is sustained long after the hydrologic event has ended leading to sediment resuspension and prolonged transport. The surficial fine grained laminae occurs in the subsurface karst system; but unlike surface streams, the light-limited conditions of the subsurface karst promotes constant heterotrophy leading to carbon turnover. The coupling of the hydrological processes leads to a conceptual model that frames phreatic karst as a biologically active conveyor of sediment carbon that recharges degraded organic carbon back to surface streams. For example, fluvial sediment is estimated to lose 30% of its organic carbon by mass during a one year temporary residence within the phreatic karst. It is recommended that scientists consider karst pathways when attempting to estimate organic matter stocks

  2. Sensitivity analysis of the noble gas transport and fate model: CASCADR9

    International Nuclear Information System (INIS)

    Lindstrom, F.T.; Cawlfield, D.E.; Barker, L.E.

    1994-03-01

    CASCADR9 is a desert alluvial soil site-specific noble gas transport and fate model. Input parameters for CASCADR9 are: man-made source term, background concentration of radionuclides, radon half-life, soil porosity, period of barometric pressure wave, amplitude of barometric pressure wave, and effective eddy diffusivity. Using average flux, total flow, and radon concentration at the 40 day mark as output parameters, a sensitivity analysis for CASCADR9 is carried out, under a variety of scenarios. For each scenario, the parameter to which output parameters are most sensitive are identified

  3. Evaluating the usefulness of dynamic pollutant fate models for implementing the EU Water Framework Directive.

    Science.gov (United States)

    Gevaert, Veerle; Verdonck, Frederik; Benedetti, Lorenzo; De Keyser, Webbey; De Baets, Bernard

    2009-06-01

    The European Water Framework Directive (WFD) aims at achieving a good ecological and chemical status of surface waters in river basins by 2015. The chemical status is considered good if the Environmental Quality Standards (EQSs) are met for all substances listed on the priority list and eight additional specific emerging substances. To check compliance with these standards, the WFD requires the establishment of monitoring programmes. The minimum measuring frequency for priority substances is currently set at once per month. This can result in non-representative sampling and increased probability of misinterpretation of the surface water quality status. To assist in the classification of the water body, the combined use of monitoring data and pollutant fate models is recommended. More specifically, dynamic models are suggested, as possible exceedance of the quality standards can be predicted by such models. In the presented work, four realistic scenarios are designed and discussed to illustrate the usefulness of dynamic pollutant fate models for implementing the WFD. They comprise a combination of two priority substances and two rivers, representative for Western Europe.

  4. A workshop model simulating fate and effect of drilling muds and cuttings on benthic communities

    Science.gov (United States)

    Auble, Gregor T.; Andrews, Austin K.; Hamilton, David B.; Roelle, James E.; Shoemaker, Thomas G.

    1984-01-01

    Oil and gas exploration and production at marine sites has generated concern over potential environmental impacts resulting from the discharge of spent drilling muds and cuttings. This concern has led to a broad array of publicly and privately sponsored research. This report described a cooperative modeling effort designed to focus information resulting from this research through construction of explicit equations that simulate the potential impacts of discharge drilling fluids (muds) and cuttings on marine communities. The model is the result of collaboration among more than 30 scientists. The principal cooperating organizations were the E.S. Environmental Protection Agency, the U.S. Minerals Management Service, the Offshore Operators Committee, and the Alaska Oil and Gas Association. The overall simulation model can be conceptualized as three connected submodels: Discharge and Plume Fate, Sediment Redistribution, and Benthic Community Effects. On each day of simulation, these submodels are executed in sequence, with flows of information between submodels. The Benthic Community Effects submodel can be further divided into sections that calculate mortality due to burial, mortality due to toxicity, mortality due to resuspension disturbance, and growth of the community. The model represents a series of seven discrete 1-m2 plots at specified distances along a transect in one direction away from a discharge point. It consists of coupled difference equations for which parameter values can easily be set to evaluate different conditions or to examine the sensitivity of output to various assumptions. Sets of parameter values were developed to represent four general cases or scenarios: (1) a shallow (5 m), cold environment with ice cover during a substantial fraction of the year, such as might be encountered in the Beaufort Sea, Alaska; (2) a shallow (20 m), temperate environment, such as might be encountered in the Gulf of Mexico; (3) a deeper (80 m), temperate environment

  5. Exposure levels, environmental fate modelling and human health risk assessment of lindane in Ghana

    International Nuclear Information System (INIS)

    Adu-Kumi, S.

    2011-01-01

    -HCH which is a known environmental estrogen, was predominant contaminant measured (geometric mean concentrations 4.18 ng g -1 lipid wt. and 4.35 ng g -1 lipid wt. for pooled and individual samples respectively). The levels of Lindane, α-HCH and β-HCH in edible fish (catfish and tilapia) sourced from Lake Bosumtwi and the Weija Lake, were concurrently investigated using HRGC/HRMS. Concentrations of HCHs were found to be generally low (mainly limits of detection) probably reflecting the historical use of Lindane and technical HCH mixtures. Catfish sourced from Lake Volta (purchased from the Madina market) however contained appreciable amounts of Lindane (average concentration of 0.72 ng g -1 lipid wt). Measured values are lower than the maximum acceptable limit for human consumption established by the FAO/WHO (FAO/WHO, 1986). Hence there is no potential health risk from HCHs (Lindane, α-HCH and β-HCH) in fish for the general population of Ghana. Level III and level IV fugacity models were successfully applied to investigate the environmental fate of Lindane in the compartments of air, water, sediment, soil and biota (fish). Model estimates showed that air, water, soil and fish constitute important exposure pathways of Lindane for the general population of Ghana. The estimated total amount of Lindane accumulated in all media at steady-state was 136 tonnes, the soil compartment accounting for ore than 97% of the total accumulation. Time trends in concentration and fluxes simulated in for the period 1959-2020 predicted that less than 1% of the 2002 concentration levels of Lindane in air, water and soil, respectively, will be left in 2020. Finally, health risks associated with the exposure of the general population of Ghana to Lindane via the pathways of air, water, soil, food (or diet) were characterized using the combined field measurements and results of the multi-media environmental fate modelling. Diet (mainly vegetables), soil and to a lesser extent water constituted

  6. Generalizing Source Geometry of Site Contamination by Simulating and Analyzing Analytical Solution of Three-Dimensional Solute Transport Model

    Directory of Open Access Journals (Sweden)

    Xingwei Wang

    2014-01-01

    Full Text Available Due to the uneven distribution of pollutions and blur edge of pollutant area, there will exist uncertainty of source term shape in advective-diffusion equation model of contaminant transport. How to generalize those irregular source terms and deal with those uncertainties is very critical but rarely studied in previous research. In this study, the fate and transport of contaminant from rectangular and elliptic source geometry were simulated based on a three-dimensional analytical solute transport model, and the source geometry generalization guideline was developed by comparing the migration of contaminant. The result indicated that the variation of source area size had no effect on pollution plume migration when the plume migrated as far as five times of source side length. The migration of pollution plume became slower with the increase of aquifer thickness. The contaminant concentration was decreasing with scale factor rising, and the differences among various scale factors became smaller with the distance to field increasing.

  7. BETR-World: a geographically explicit model of chemical fate: application to transport of α-HCH to the Arctic

    International Nuclear Information System (INIS)

    Toose, L.; Woodfine, D.G.; MacLeod, M.; Mackay, D.; Gouin, J.

    2004-01-01

    The Berkeley-Trent (BETR)-World model, a 25 compartment, geographically explicit fugacity-based model is described and applied to evaluate the transport of chemicals from temperate source regions to receptor regions (such as the Arctic). The model was parameterized using GIS and an array of digital data on weather, oceans, freshwater, vegetation and geo-political boundaries. This version of the BETR model framework includes modification of atmospheric degradation rates by seasonally variable hydroxyl radical concentrations and temperature. Degradation rates in all other compartments vary with seasonally changing temperature. Deposition to the deep ocean has been included as a loss mechanism. A case study was undertaken for α-HCH. Dynamic emission scenarios were estimated for each of the 25 regions. Predicted environmental concentrations showed good agreement with measured values for the northern regions in air, and fresh and oceanic water and with the results from a previous model of global chemical fate. Potential for long-range transport and deposition to the Arctic region was assessed using a Transfer Efficiency combined with estimated emissions. European regions and the Orient including China have a high potential to contribute α-HCH contamination in the Arctic due to high rates of emission in these regions despite low Transfer Efficiencies. Sensitivity analyses reveal that the performance and reliability of the model is strongly influenced by parameters controlling degradation rates. - A geographically explicit multi-compartment model is applied to the transport of α-HCH to the Arctic, showing Europe and the Orient are key sources

  8. Finite element modeling of contaminant transport in soils including the effect of chemical reactions.

    Science.gov (United States)

    Javadi, A A; Al-Najjar, M M

    2007-05-17

    The movement of chemicals through soils to the groundwater is a major cause of degradation of water resources. In many cases, serious human and stock health implications are associated with this form of pollution. Recent studies have shown that the current models and methods are not able to adequately describe the leaching of nutrients through soils, often underestimating the risk of groundwater contamination by surface-applied chemicals, and overestimating the concentration of resident solutes. Furthermore, the effect of chemical reactions on the fate and transport of contaminants is not included in many of the existing numerical models for contaminant transport. In this paper a numerical model is presented for simulation of the flow of water and air and contaminant transport through unsaturated soils with the main focus being on the effects of chemical reactions. The governing equations of miscible contaminant transport including advection, dispersion-diffusion and adsorption effects together with the effect of chemical reactions are presented. The mathematical framework and the numerical implementation of the model are described in detail. The model is validated by application to a number of test cases from the literature and is then applied to the simulation of a physical model test involving transport of contaminants in a block of soil with particular reference to the effects of chemical reactions. Comparison of the results of the numerical model with the experimental results shows that the model is capable of predicting the effects of chemical reactions with very high accuracy. The importance of consideration of the effects of chemical reactions is highlighted.

  9. In vitro study of transmission of bacteria from contaminated metal models to stone models via impressions

    DEFF Research Database (Denmark)

    Sofou, A.; Larsen, T.; Öwall, B.

    2002-01-01

    Dental impression, stone model, bacterial contamination, cross-infection, dental clinic, dental laboratory......Dental impression, stone model, bacterial contamination, cross-infection, dental clinic, dental laboratory...

  10. A Bayesian belief network approach for assessing uncertainty in conceptual site models at contaminated sites

    Science.gov (United States)

    Thomsen, Nanna I.; Binning, Philip J.; McKnight, Ursula S.; Tuxen, Nina; Bjerg, Poul L.; Troldborg, Mads

    2016-05-01

    A key component in risk assessment of contaminated sites is in the formulation of a conceptual site model (CSM). A CSM is a simplified representation of reality and forms the basis for the mathematical modeling of contaminant fate and transport at the site. The CSM should therefore identify the most important site-specific features and processes that may affect the contaminant transport behavior at the site. However, the development of a CSM will always be associated with uncertainties due to limited data and lack of understanding of the site conditions. CSM uncertainty is often found to be a major source of model error and it should therefore be accounted for when evaluating uncertainties in risk assessments. We present a Bayesian belief network (BBN) approach for constructing CSMs and assessing their uncertainty at contaminated sites. BBNs are graphical probabilistic models that are effective for integrating quantitative and qualitative information, and thus can strengthen decisions when empirical data are lacking. The proposed BBN approach facilitates a systematic construction of multiple CSMs, and then determines the belief in each CSM using a variety of data types and/or expert opinion at different knowledge levels. The developed BBNs combine data from desktop studies and initial site investigations with expert opinion to assess which of the CSMs are more likely to reflect the actual site conditions. The method is demonstrated on a Danish field site, contaminated with chlorinated ethenes. Four different CSMs are developed by combining two contaminant source zone interpretations (presence or absence of a separate phase contamination) and two geological interpretations (fractured or unfractured clay till). The beliefs in each of the CSMs are assessed sequentially based on data from three investigation stages (a screening investigation, a more detailed investigation, and an expert consultation) to demonstrate that the belief can be updated as more information

  11. Source and Fate of Inorganic Soil Contamination Around the Abandoned Phillips Sulfide Mine Hudson Highlands New York

    Energy Technology Data Exchange (ETDEWEB)

    S Gilchrist; A Gates; E Elzinga; M Gorring; z Szabo

    2011-12-31

    The abandoned Phillips sulfide mine in the critical Highlands watershed in New York has been shown to produce strongly acidic mine drainage (AMD) with anomalous metal contaminants in first-order streams that exceeded local water standards by up to several orders of magnitude (Gilchrist et al., 2009). The metal-sulfide-rich tailings also produce contaminated soils with pH < 4, organic matter < 2.5% and trace metals sequestered in soil oxides. A geochemical transect to test worst-case soil contamination showed that Cr, Co and Ni correlated positively with Mn, (r = 0.72, r = 0.89, r = 0.80, respectively), suggesting Mn-oxide sequestration and that Cu and Pb correlated with Fe (r = 0.76, r = 0.83, respectively), suggesting sequestration in goethite. Ubiquitous, yellow coating on the mine wastes, including jarosite and goethite, is a carrier of the metals. Geochemical and {mu}-SXRF analyses determined Cu to be the major soil contaminant, {mu}-SXRF also demonstrated that the heterogeneous nature of the soil chemistry at the micro-meter scale is self-similar to those in the bulk soil samples. Generally metals decreased, with some fluctuations, rapidly downslope through suspension of fines and dissolution in AMD leaving the area of substantial contamination << 0.5 km from the source.

  12. Making fate and exposure models for freshwater ecotoxicity in life cycle assessment suitable for organic acids and bases.

    Science.gov (United States)

    van Zelm, Rosalie; Stam, Gea; Huijbregts, Mark A J; van de Meent, Dik

    2013-01-01

    Freshwater fate and exposure factors were determined for organic acids and bases, making use of the knowledge on electrical interaction of ionizing chemicals and their sorption to particles. The fate factor represents the residence time in the environment whereas exposure factors equal the dissolved fraction of a chemical. Multimedia fate, exposure, and effect model USES-LCA was updated to take into account the influence of ionization, based upon the acid dissociation constant (pK(a)) of a chemical, and the environmental pH. Freshwater fate (FF) and exposure (XF) factors were determined for 415 acids and 496 bases emitted to freshwater, air, and soil. The relevance of taking account of the degree of ionization of chemicals was tested by determining the ratio (R) of the new vs. fate and exposure factors determined with USES-LCA suitable for neutral chemicals only. Our results show that the majority of freshwater fate and exposure factors of chemicals that are largely ionized in the environment are larger with the ionics model compared to the factors determined with the neutrals model version. R(FF) ranged from 2.4×10(-1) to 1.6×10(1) for freshwater emissions, from 1.2×10(-2) to 2.0×10(4) for soil emissions and from 5.8×10(-2) to 6.0×10(3) for air emissions, and R(XF) from 5.3×10(-1) to 2.2×10(1). Prediction of changed solid-water partitioning, implying a change in runoff and in removal via sedimentation, and prediction of negligible air-water partition coefficient, leading to negligible volatilization were the main contributors to the changes in freshwater fate factors. Copyright © 2012 Elsevier Ltd. All rights reserved.

  13. Environmental fate and transport of chemical signatures from buried landmines -- Screening model formulation and initial simulations

    Energy Technology Data Exchange (ETDEWEB)

    Phelan, J.M.; Webb, S.W.

    1997-06-01

    The fate and transport of chemical signature molecules that emanate from buried landmines is strongly influenced by physical chemical properties and by environmental conditions of the specific chemical compounds. Published data have been evaluated as the input parameters that are used in the simulation of the fate and transport processes. A one-dimensional model developed for screening agricultural pesticides was modified and used to simulate the appearance of a surface flux above a buried landmine, estimate the subsurface total concentration, and show the phase specific concentrations at the ground surface. The physical chemical properties of TNT cause a majority of the mass released to the soil system to be bound to the solid phase soil particles. The majority of the transport occurs in the liquid phase with diffusion and evaporation driven advection of soil water as the primary mechanisms for the flux to the ground surface. The simulations provided herein should only be used for initial conceptual designs of chemical pre-concentration subsystems or complete detection systems. The physical processes modeled required necessary simplifying assumptions to allow for analytical solutions. Emerging numerical simulation tools will soon be available that should provide more realistic estimates that can be used to predict the success of landmine chemical detection surveys based on knowledge of the chemical and soil properties, and environmental conditions where the mines are buried. Additional measurements of the chemical properties in soils are also needed before a fully predictive approach can be confidently applied.

  14. Fate of sulfamethoxazole, 4-nonylphenol, and 17beta-estradiol in groundwater contaminated by wastewater treatment plant effluent.

    Science.gov (United States)

    Barber, Larry B; Keefe, Steffanie H; Leblanc, Denis R; Bradley, Paul M; Chapelle, Francis H; Meyer, Michael T; Loftin, Keith A; Kolpin, Dana W; Rubio, Fernando

    2009-07-01

    Organic wastewater contaminants (OWCs) were measured in samples collected from monitoring wells located along a 4.5-km transect of a plume of groundwater contaminated by 60 years of continuous rapid infiltration disposal of wastewater treatment plant effluent. Fifteen percent of the 212 OWCs analyzed were detected, including the antibiotic sulfamethoxazole (SX), the nonionic surfactant degradation product 4-nonylphenol (NP), the solvent tetrachloroethene (PCE), and the disinfectant 1,4-dichlorobenzene (DCB). Comparison of the 2005 sampling results to data collected from the same wells in 1985 indicates that PCE and DCB are transported more rapidly in the aquiferthan NP, consistent with predictions based on compound hydrophobicity. Natural gradient in situ tracer experiments were conducted to evaluate the subsurface behavior of SX, NP, and the female sex hormone 17beta-estradiol (E2) in two oxic zones in the aquifer: (1) a downgradient transition zone at the interface between the contamination plume and the overlying uncontaminated groundwater and (2) a contaminated zone located beneath the infiltration beds, which have not been loaded for 10 years. In both zones, breakthrough curves for the conservative tracer bromide (Br-) and SX were nearly coincident, whereas NP and E2 were retarded relative to Br- and showed mass loss. Retardation was greater in the contaminated zone than in the transition zone. Attenuation of NP and E2 in the aquifer was attributed to biotransformation, and oxic laboratory microcosm experiments using sediments from the transition and contaminated zones show that uniform-ring-labeled 14C 4-normal-NP was biodegraded more rapidly 130-60% recovered as 14CO2 in 13 days) than 4-14C E2 (20-90% recovered as 14CO2 in 54 days). There was little difference in mineralization potential between sites.

  15. Fate of sulfamethoxazole, 4-nonylphenol, and 17β-estradiol in groundwater contaminated by wastewater treatment plant effluent

    Science.gov (United States)

    Barber, Larry B.; Keefe, Steffanie H.; LeBlanc, Denis R.; Bradley, Paul M.; Chapelle, Francis H.; Meyer, Michael T.; Loftin, Keith A.; Koplin, Dana W.; Rubio, Fernando

    2009-01-01

    Organic wastewater contaminants (OWCs) were measured in samples collected from monitoring wells located along a 4.5-km transect of a plume of groundwater contaminated by 60 years of continuous rapid infiltration disposal of wastewater treatment plant effluent. Fifteen percent of the 212 OWCs analyzed were detected, including the antibiotic sulfamethoxazole (SX), the nonionic surfactant degradation product 4-nonylphenol (NP), the solvent tetrachloroethene (PCE), and the disinfectant 1,4-dichlorobenzene (DCB). Comparison of the 2005 sampling results to data collected from the same wells in 1985 indicates that PCE and DCB are transported more rapidly in the aquifer than NP, consistent with predictions based on compound hydrophobicity. Natural gradient in situ tracer experiments were conducted to evaluate the subsurface behavior of SX, NP, and the female sex hormone 17β-estradiol (E2) in two oxic zones in the aquifer: (1) a downgradient transition zone at the interface between the contamination plume and the overlying uncontaminated groundwater and (2) a contaminated zone located beneath the infiltration beds, which have not been loaded for 10 years. In both zones, breakthrough curves for the conservative tracer bromide (Br−) and SX were nearly coincident, whereas NP and E2 were retarded relative to Br− and showed mass loss. Retardation was greater in the contaminated zone than in the transition zone. Attenuation of NP and E2 in the aquifer was attributed to biotransformation, and oxic laboratory microcosm experiments using sediments from the transition and contaminated zones show that uniform-ring-labeled 14C 4-normal-NP was biodegraded more rapidly (30−60% recovered as 14CO2 in 13 days) than 4-14C E2 (20−90% recovered as 14CO2in 54 days). There was little difference in mineralization potential between sites.

  16. A multimedia fate and chemical transport modeling system for pesticides: II. Model evaluation

    International Nuclear Information System (INIS)

    Li Rong; Yang Fuquan; Sloan, James J; Trevor Scholtz, M

    2011-01-01

    Pesticides have adverse health effects and can be transported over long distances to contaminate sensitive ecosystems. To address problems caused by environmental pesticides we developed a multimedia multi-pollutant modeling system, and here we present an evaluation of the model by comparing modeled results against measurements. The modeled toxaphene air concentrations for two sites, in Louisiana (LA) and Michigan (MI), are in good agreement with measurements (average concentrations agree to within a factor of 2). Because the residue inventory showed no soil residues at these two sites, resulting in no emissions, the concentrations must be caused by transport; the good agreement between the modeled and measured concentrations suggests that the model simulates atmospheric transport accurately. Compared to the LA and MI sites, the measured air concentrations at two other sites having toxaphene soil residues leading to emissions, in Indiana and Arkansas, showed more pronounced seasonal variability (higher in warmer months); this pattern was also captured by the model. The model-predicted toxaphene concentration fraction on particles (0.5-5%) agrees well with measurement-based estimates (3% or 6%). There is also good agreement between modeled and measured dry (1:1) and wet (within a factor of less than 2) depositions in Lake Ontario. Additionally this study identified erroneous soil residue data around a site in Texas in a published US toxaphene residue inventory, which led to very low modeled air concentrations at this site. Except for the erroneous soil residue data around this site, the good agreement between the modeled and observed results implies that both the US and Mexican toxaphene soil residue inventories are reasonably good. This agreement also suggests that the modeling system is capable of simulating the important physical and chemical processes in the multimedia compartments.

  17. Validation of an orimulsion spill fates model using observations from field test spills

    International Nuclear Information System (INIS)

    French, D. P.; Rines, H.; Masciangioli, P.

    1997-01-01

    The SIMAP Spill Impact Model system was developed to simulate fates and effects of spilled oil and other fuels in 3-D and time. Orimulsion is a Venezuelan product consisting of 70 per cent bitumen and 30 per cent water which has been shipped to many parts of the world for some time without an accidental spill into coastal or marine waters. In July 1966 two intentional spills of Orimulsion into Carribean waters were made and sampled in detail in order to verify the SIMAP model. Data on physical dispersion was collected at the same time. Data collected in the field was compared with model simulations. Results confirmed SIMAP's ability to predict the increasing dispersion and shearing of the bitumen plume as wind speed increases, as well as the actual field distribution of subsurface and surface bitumen. 17 refs., 7 tabs., 26 figs

  18. Emissions and fate of brominated flame retardants in the indoor environment: A critical review of modelling approaches

    Energy Technology Data Exchange (ETDEWEB)

    Liagkouridis, Ioannis, E-mail: ioannis.liagkouridis@ivl.se [IVL Swedish Environmental Research Institute, P.O. Box 21060, SE 100 31 Stockholm (Sweden); ITM Department of Applied Environmental Science, Stockholm University, SE 106 91 Stockholm (Sweden); Cousins, Ian T. [ITM Department of Applied Environmental Science, Stockholm University, SE 106 91 Stockholm (Sweden); Cousins, Anna Palm [IVL Swedish Environmental Research Institute, P.O. Box 21060, SE 100 31 Stockholm (Sweden)

    2014-09-01

    This review explores the existing understanding and the available approaches to estimating the emissions and fate of semi-volatile organic compounds (SVOCs) and in particular focuses on the brominated flame retardants (BFRs). Volatilisation, an important emission mechanism for the more volatile compounds can be well described using current emission models. More research is needed, however, to better characterise alternative release mechanisms such as direct material–particle partitioning and material abrasion. These two particle-mediated emissions are likely to result in an increased chemical release from the source than can be accounted for by volatilisation, especially for low volatile compounds, and emission models need to be updated in order to account for these. Air–surface partitioning is an important fate process for SVOCs such as BFRs however it is still not well characterised indoors. In addition, the assumption of an instantaneous air–particle equilibrium adopted by current indoor fate models might not be valid for high-molecular weight, strongly sorbing compounds. A better description of indoor particle dynamics is required to assess the effect of particle-associated transport as this will control the fate of low volatile BFRs. We suggest further research steps that will improve modelling precision and increase our understanding of the factors that govern the indoor fate of a wide range of SVOCs. It is also considered that the appropriateness of the selected model for a given study relies on the individual characteristics of the study environment and scope of the study. - Highlights: • Current emission models likely underestimate the release of low volatile BFRs from products. • Material abrasion and direct material–dust partitioning are important, yet understudied emission mechanisms. • Indoor surfaces can be significant sinks, but the mechanism is poorly understood. • Indoor fate of low volatile BFRs is strongly associated with particle

  19. A multimedia fate and chemical transport modeling system for pesticides: I. Model development and implementation

    International Nuclear Information System (INIS)

    Li Rong; Yang Fuquan; Sloan, James J; Scholtz, M Trevor

    2011-01-01

    We have combined the US EPA MM5/MCIP/SMOKE/CMAQ modeling system with a dynamic soil model, the pesticide emission model (PEM), to create a multimedia chemical transport model capable of describing the important physical and chemical processes involving pesticides in the soil, in the atmosphere, and on the surface of vegetation. These processes include: agricultural practices (e.g. soil tilling and pesticide application mode); advection and diffusion of pesticides, moisture, and heat in the soil; partitioning of pesticides between soil organic carbon and interstitial water and air; emissions from the soil to the atmosphere; gas-particle partitioning and transport in the atmosphere; and atmospheric chemistry and dry and wet deposition of pesticides to terrestrial and water surfaces. The modeling system was tested by simulating toxaphene in a domain that covers most of North America for the period from 1 January 2000 to 31 December 2000. The results show obvious transport of the pesticide from the heavily contaminated soils in the southern United States and Mexico to water bodies including the Atlantic Ocean, the Gulf of Mexico and the Great Lakes, leading to significant dry and wet deposition into these ecosystems. The spatial distributions of dry and wet depositions differ because of their different physical mechanisms; the former follows the distribution of air concentrations whereas the latter is more biased to the North East due to the effect of precipitation.

  20. A multimedia fate and chemical transport modeling system for pesticides: I. Model development and implementation

    Energy Technology Data Exchange (ETDEWEB)

    Li Rong; Yang Fuquan; Sloan, James J [Department of Earth and Environmental Sciences, University of Waterloo, Waterloo, ON N2L 3G1 (Canada); Scholtz, M Trevor, E-mail: sloanj@connect.uwaterloo.ca [ORTECH Environmental, 2395 Speakman Drive, Mississauga, ON L5K 1B3 (Canada)

    2011-07-15

    We have combined the US EPA MM5/MCIP/SMOKE/CMAQ modeling system with a dynamic soil model, the pesticide emission model (PEM), to create a multimedia chemical transport model capable of describing the important physical and chemical processes involving pesticides in the soil, in the atmosphere, and on the surface of vegetation. These processes include: agricultural practices (e.g. soil tilling and pesticide application mode); advection and diffusion of pesticides, moisture, and heat in the soil; partitioning of pesticides between soil organic carbon and interstitial water and air; emissions from the soil to the atmosphere; gas-particle partitioning and transport in the atmosphere; and atmospheric chemistry and dry and wet deposition of pesticides to terrestrial and water surfaces. The modeling system was tested by simulating toxaphene in a domain that covers most of North America for the period from 1 January 2000 to 31 December 2000. The results show obvious transport of the pesticide from the heavily contaminated soils in the southern United States and Mexico to water bodies including the Atlantic Ocean, the Gulf of Mexico and the Great Lakes, leading to significant dry and wet deposition into these ecosystems. The spatial distributions of dry and wet depositions differ because of their different physical mechanisms; the former follows the distribution of air concentrations whereas the latter is more biased to the North East due to the effect of precipitation.

  1. A multimedia fate and chemical transport modeling system for pesticides: I. Model development and implementation

    Science.gov (United States)

    Li, Rong; Scholtz, M. Trevor; Yang, Fuquan; Sloan, James J.

    2011-07-01

    We have combined the US EPA MM5/MCIP/SMOKE/CMAQ modeling system with a dynamic soil model, the pesticide emission model (PEM), to create a multimedia chemical transport model capable of describing the important physical and chemical processes involving pesticides in the soil, in the atmosphere, and on the surface of vegetation. These processes include: agricultural practices (e.g. soil tilling and pesticide application mode); advection and diffusion of pesticides, moisture, and heat in the soil; partitioning of pesticides between soil organic carbon and interstitial water and air; emissions from the soil to the atmosphere; gas-particle partitioning and transport in the atmosphere; and atmospheric chemistry and dry and wet deposition of pesticides to terrestrial and water surfaces. The modeling system was tested by simulating toxaphene in a domain that covers most of North America for the period from 1 January 2000 to 31 December 2000. The results show obvious transport of the pesticide from the heavily contaminated soils in the southern United States and Mexico to water bodies including the Atlantic Ocean, the Gulf of Mexico and the Great Lakes, leading to significant dry and wet deposition into these ecosystems. The spatial distributions of dry and wet depositions differ because of their different physical mechanisms; the former follows the distribution of air concentrations whereas the latter is more biased to the North East due to the effect of precipitation.

  2. Sediment transport modelling in the Gulf of Lion with the perspective of studying the fate of radionuclides originated by the Rhone River

    International Nuclear Information System (INIS)

    Dufois, Francois

    2008-01-01

    Among the various contaminants introduced in the environment, artificial radionuclides appear particularly important to consider because of their chemical toxicity and / or of their radio-toxicity. Some radionuclides present a high affinity with particles so that the study of the sediment dynamics is a useful preliminary to the study of their dispersion on the open sea. This thesis is focused on the fate of sediments in the Gulf of Lion (NW Mediterranean sea) and in particular on the impact of the Rhone River, which is the main source of particulate matter in the Gulf of Lion. In order to study the sediment transport mechanisms on various space and time scales, this thesis is based on mathematical modelling. The hydro-sedimentary model set up in the Gulf of Lion, which takes into account the gathered effect of waves and currents, was supported by recent hydro-sedimentary data analyses. CARMA (winter 2006/2007) and SCOPE (winter 2007/2008) experiments were used to better understand the physical processes which control the sediment transport on the Rhone pro-delta and to validate the model. The period of the centennial Rhone River flood of December 2003 was also simulated in order to determine the impact of such extreme events on the fate of sediments. Both observations and simulations of the studied periods highlight the high capacity of erosion and transport induced by south-eastern storms on the pro-delta

  3. The Impacts of Different Meteorology Data Sets on Nitrogen Fate and Transport in the SWAT Watershed Model

    Science.gov (United States)

    In this study, we investigated how different meteorology data sets impacts nitrogen fate and transport responses in the Soil and Water Assessment Tool (SWAT) model. We used two meteorology data sets: National Climatic Data Center (observed) and Mesoscale Model 5/Weather Research ...

  4. Metabolic fate of 14-C-fenitrothion in a rice field model ecosystem

    International Nuclear Information System (INIS)

    Nashriyah binti Mat; Nambu, K.; Miyashita, T.; Sakata, S.; Ohshima, M.

    1991-01-01

    Pesticide fenitrothion (Sumithion sup R)is widely used to control rice stem borer and other pests. Its metabolic fate and degradation was studied using the sup 14 C-ring labelled fenitrothion in a model ecosystem consisting of Takarazuka paddy field soil, rice plant (Oryza sativa var. nihonbare), carp fish (Cyprinus carpio L.) and dechlorinated water. Radioactive fenitrothion was applied at a normal rate as used by Japanese farmers and samples of rice plant, fish soil and water were analysed after ten days of application. Fenitrothion was readily metabolized in rice plant and fish and also readily degraded to a number of metabolites in water and flooded soil. Most of the radioactivity applied was found in the soil component of the ecosystem. A trace amount of fenitrooxon, the activated metabolite of fenitrothion was detected only in soil and water. A possible metabolic pathway of fenitrothion in the rice model ecosystem was proposed

  5. Occurrence and fate of emerging contaminants in municipal wastewater treatment plants from different geographical regions-a review.

    Science.gov (United States)

    Tran, Ngoc Han; Reinhard, Martin; Gin, Karina Yew-Hoong

    2018-04-15

    Emerging contaminants, such as antibiotics, pharmaceuticals, personal care products, hormones, and artificial sweeteners, are recognized as new classes of water contaminants due to their proven or potential adverse effects on aquatic ecosystems and human health. This review provides comprehensive data on the occurrence of 60 emerging contaminants (ECs) in influent, treated effluent, sludge, and biosolids in wastewater treatment plants (WWTPs). In particular, data on the occurrence of ECs in the influents and effluents of WWTPs are systematically summarized and categorized according to geographical regions (Asia, Europe, and North America). The occurrence patterns of ECs in raw influent and treated effluents of WWTPs between geographical regions were compared and evaluated. Concentrations of most ECs in raw influent in Asian region tend to be higher than those in European and North American countries. Many antibiotics were detected in the influents and effluents of WWTPs at concentrations close to or exceeding the predicted no-effect concentrations (PNECs) for resistance selection. The efficacy of EC removal by sorption and biodegradation during wastewater treatment processes are discussed in light of kinetics and parameters, such as sorption coefficients (K d ) and biodegradation constants (k biol ), and physicochemical properties (i.e. log K ow and pK a ). Commonly used sampling and monitoring strategies are critically reviewed. Analytical research needs are identified, and novel investigative approaches for future monitoring studies are proposed. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Erratum: Probabilistic application of a fugacity model to predict triclosan fate during wastewater treatment.

    Science.gov (United States)

    Bock, Michael; Lyndall, Jennifer; Barber, Timothy; Fuchsman, Phyllis; Perruchon, Elyse; Capdevielle, Marie

    2010-10-01

    The fate and partitioning of the antimicrobial compound, triclosan, in wastewater treatment plants (WWTPs) is evaluated using a probabilistic fugacity model to predict the range of triclosan concentrations in effluent and secondary biosolids. The WWTP model predicts 84% to 92% triclosan removal, which is within the range of measured removal efficiencies (typically 70% to 98%). Triclosan is predominantly removed by sorption and subsequent settling of organic particulates during primary treatment and by aerobic biodegradation during secondary treatment. Median modeled removal efficiency due to sorption is 40% for all treatment phases and 31% in the primary treatment phase. Median modeled removal efficiency due to biodegradation is 48% for all treatment phases and 44% in the secondary treatment phase. Important factors contributing to variation in predicted triclosan concentrations in effluent and biosolids include influent concentrations, solids concentrations in settling tanks, and factors related to solids retention time. Measured triclosan concentrations in biosolids and non-United States (US) effluent are consistent with model predictions. However, median concentrations in US effluent are over-predicted with this model, suggesting that differences in some aspect of treatment practices not incorporated in the model (e.g., disinfection methods) may affect triclosan removal from effluent. Model applications include predicting changes in environmental loadings associated with new triclosan applications and supporting risk analyses for biosolids-amended land and effluent receiving waters. © 2010 SETAC.

  7. Probabilistic application of a fugacity model to predict triclosan fate during wastewater treatment.

    Science.gov (United States)

    Bock, Michael; Lyndall, Jennifer; Barber, Timothy; Fuchsman, Phyllis; Perruchon, Elyse; Capdevielle, Marie

    2010-07-01

    The fate and partitioning of the antimicrobial compound, triclosan, in wastewater treatment plants (WWTPs) is evaluated using a probabilistic fugacity model to predict the range of triclosan concentrations in effluent and secondary biosolids. The WWTP model predicts 84% to 92% triclosan removal, which is within the range of measured removal efficiencies (typically 70% to 98%). Triclosan is predominantly removed by sorption and subsequent settling of organic particulates during primary treatment and by aerobic biodegradation during secondary treatment. Median modeled removal efficiency due to sorption is 40% for all treatment phases and 31% in the primary treatment phase. Median modeled removal efficiency due to biodegradation is 48% for all treatment phases and 44% in the secondary treatment phase. Important factors contributing to variation in predicted triclosan concentrations in effluent and biosolids include influent concentrations, solids concentrations in settling tanks, and factors related to solids retention time. Measured triclosan concentrations in biosolids and non-United States (US) effluent are consistent with model predictions. However, median concentrations in US effluent are over-predicted with this model, suggesting that differences in some aspect of treatment practices not incorporated in the model (e.g., disinfection methods) may affect triclosan removal from effluent. Model applications include predicting changes in environmental loadings associated with new triclosan applications and supporting risk analyses for biosolids-amended land and effluent receiving waters. (c) 2010 SETAC.

  8. Fate of acetone in an outdoor model stream in southern Mississippi, U.S.A.

    Science.gov (United States)

    Rathbun, R.E.; Stephens, D.W.; Shultz, D.J.; Tai, D.Y.

    1988-01-01

    The fate of acetone in water was investigated in an outdoor model stream located in southern Mississippi, U.S.A. Acetone was injected continuously for 32 days resulting in small milligram-perliter concentrations in the stream. Rhodamine-WT dye was injected at the beginning and at the end of the study to determine the time-of-travel and dispersion characteristics of the stream. A 12-h injection of t-butyl alcohol (TBA) was used to determine the volatilization characteristics of the stream. Volatilization controlled the acetone concentration in the stream. Significant bacterial degradation of acetone did not occur, contrary to expectations based on previous laboratory studies. Attempts to induce degradation of the acetone by injecting glucose and a nutrient solution containing bacteria acclimated to acetone were unsuccessful. Possible explanations for the lack of bacterial degradation included a nitrate limitation and a limited residence time in the stream system. ?? 1988.

  9. Fate of chemical warfare agents and toxic indutrial chemicals in landfills

    DEFF Research Database (Denmark)

    Bartelt-Hunt, D.L.; Barlaz, M.A.; Knappe, D.R.U.

    2006-01-01

    One component of preparedness for a chemical attack is planning for the disposal of contaminated debris. To assess the feasibility of contaminated debris disposal in municipal solid waste (MSW) landfills, the fate of selected chemical warfare agents (CWAs) and toxic industrial chemicals (TICs......], and two TICs [furan and carbon disulfide] were studied. The effects of both infiltration (climate) and contaminant biodegradability on fate predictions were assessed. Model results showed that hydrolysis and gas-phase advection were the principal fate pathways for CWAs and TICs, respectively. Apart from...... CX and the TICs, none of the investigated compounds was predicted to persist in a landfill for more than 5 years. Climate had little impact on CWA/TIC fate, and biodegradability was only important for compounds with long hydrolysis halflives. Monte Carlo simulations were performed to assess...

  10. Modeling fate and transport of fecally-derived microorganisms at the watershed scale: state of the science and future opportunities

    Science.gov (United States)

    Natural waters provide habitats for various groups of fecal indicator organisms (FIOs) and pathogenic microorganisms originating from animal manures and animal waste. A number of watershed modeling works have been carried out to have a better understanding to the fate and transport of fecal indicato...

  11. Comparative modeling analyses of Cs-137 fate in the rivers impacted by Chernobyl and Fukushima accidents

    Energy Technology Data Exchange (ETDEWEB)

    Zheleznyak, M.; Kivva, S. [Institute of Environmental Radioactivity, Fukushima University (Japan)

    2014-07-01

    The consequences of two largest nuclear accidents of the last decades - at Chernobyl Nuclear Power Plant (ChNPP) (1986) and at Fukushima Daiichi NPP (FDNPP) (2011) clearly demonstrated that radioactive contamination of water bodies in vicinity of NPP and on the waterways from it, e.g., river- reservoir water after Chernobyl accident and rivers and coastal marine waters after Fukushima accident, in the both cases have been one of the main sources of the public concerns on the accident consequences. The higher weight of water contamination in public perception of the accidents consequences in comparison with the real fraction of doses via aquatic pathways in comparison with other dose components is a specificity of public perception of environmental contamination. This psychological phenomenon that was confirmed after these accidents provides supplementary arguments that the reliable simulation and prediction of the radionuclide dynamics in water and sediments is important part of the post-accidental radioecological research. The purpose of the research is to use the experience of the modeling activities f conducted for the past more than 25 years within the Chernobyl affected Pripyat River and Dnieper River watershed as also data of the new monitoring studies in Japan of Abukuma River (largest in the region - the watershed area is 5400 km{sup 2}), Kuchibuto River, Uta River, Niita River, Natsui River, Same River, as also of the studies on the specific of the 'water-sediment' {sup 137}Cs exchanges in this area to refine the 1-D model RIVTOX and 2-D model COASTOX for the increasing of the predictive power of the modeling technologies. The results of the modeling studies are applied for more accurate prediction of water/sediment radionuclide contamination of rivers and reservoirs in the Fukushima Prefecture and for the comparative analyses of the efficiency of the of the post -accidental measures to diminish the contamination of the water bodies. Document

  12. Fate of nano- and microplastic in freshwater systems: A modeling study

    NARCIS (Netherlands)

    Besseling, Ellen; Quik, Joris T.K.; Sun, Muzhi; Koelmans, Bart

    2017-01-01

    Riverine transport to the marine environment is an important pathway for microplastic. However, information on fate and transport of nano- and microplastic in freshwater systems is lacking. Here we present scenario studies on the fate and transport of nano-to millimetre sized spherical particles

  13. Ground water contamination analysis by using a fully coupled numerical model

    International Nuclear Information System (INIS)

    Yahya Sukirman; Norhan Abd Rahman; Raihan Ismail

    1999-01-01

    Groundwater contamination in the subsurface is not a new or emerging issue, which can be highly toxic at very low concentrations. It can cause a great damage to our environment and public health. In recent years, accidental oil spill, leaking from underground storage and pipeline are getting more and more attention from various parties. There are very important to improve the understanding of the mobilization, transport mechanism and fate of hydrocarbon in the subsurface in checking the risk of public exposure to the contaminants and in evaluating various remediation scenarios. In this paper, groundwater contamination by nonaqueous phase liquids (NAPLs), such as organic solvents and petroleum hydrocarbons, will be simulated for a multiphase flow, heat flow and pollutant transport phenomenon in a semisaturated porous medium. The governing partial differential equations, in terms of soil displacements, fluid pressures, energy balance and concentrations are coupled and behave non-linearly but can be solved by a numerical method. Finally, the developed finite element model has been applied to analyze the transport behavior of hydrocarbon pollutant in subsurface, which can be used to propose a suitable remedial scheme for the groundwater contamination problems. (Author)

  14. Fate of pollutants

    International Nuclear Information System (INIS)

    Chapta, S.C.; Boyer, J.M.

    1990-01-01

    A literature review is presented of the fate of pollutants in sediment and water systems. Topics of discussion include the following: modeling, observations, and general studies; chlorinated xenobiotic chemicals; nonchlorinated xenobiotic chemicals; pesticides; heavy metals; and radionuclides

  15. Watershed-scale modeling on the fate and transport of polycyclic aromatic hydrocarbons (PAHs)

    International Nuclear Information System (INIS)

    Ligaray, Mayzonee; Baek, Sang Soo; Kwon, Hye-Ok; Choi, Sung-Deuk; Cho, Kyung Hwa

    2016-01-01

    PAHs are potentially carcinogenic substances that are persistent in the environment. Increasing concentrations of PAHs were observed due to rapid urbanization, thus; monitoring PAHs concentrations is necessary. However, it is expensive to conduct intensive monitoring activities of a large number of PAHs. This study addressed this issue by developing a multimedia model coupled with a hydrological model (i.e., Soil and Water Assessment Tool (SWAT)) for Taehwa River (TR) watershed in Ulsan, the industrial capital of South Korea. The hydrologic module of the SWAT was calibrated, and further used to simulate the fate and transport of PAHs in soil and waterbody. The model demonstrated that the temporal or seasonal variation of PAHs in soil and waterbody can be well reproduced. Meanwhile, the spatial distribution of PAHs showed that urban areas in TR watershed have the highest PAH loadings compared to rural areas. Sensitivity analyses of the PAH soil and PAH water parameters were also able to determine the critical processes in TR watershed: degradation, deposition, volatilization, and wash off mechanism. We hope that this model will be able to aid the stakeholders in: regulating PAH concentrations emitted by various sources; and also apply the model to other Persistent Organic Pollutants (POPs).

  16. Watershed-scale modeling on the fate and transport of polycyclic aromatic hydrocarbons (PAHs)

    Energy Technology Data Exchange (ETDEWEB)

    Ligaray, Mayzonee; Baek, Sang Soo [School of Urban and Environmental Engineering, Ulsan National Institute of Science and Technology, UNIST-gil 50, Ulsan 44919 (Korea, Republic of); Kwon, Hye-Ok [Disaster Scientific Investigation Division, National Disaster Management Research Institute, 365 Jongga-ro Jung-gu, Ulsan 44538 (Korea, Republic of); Choi, Sung-Deuk, E-mail: sdchoi@unist.ac.kr [School of Urban and Environmental Engineering, Ulsan National Institute of Science and Technology, UNIST-gil 50, Ulsan 44919 (Korea, Republic of); Cho, Kyung Hwa, E-mail: khcho@unist.ac.kr [School of Urban and Environmental Engineering, Ulsan National Institute of Science and Technology, UNIST-gil 50, Ulsan 44919 (Korea, Republic of)

    2016-12-15

    PAHs are potentially carcinogenic substances that are persistent in the environment. Increasing concentrations of PAHs were observed due to rapid urbanization, thus; monitoring PAHs concentrations is necessary. However, it is expensive to conduct intensive monitoring activities of a large number of PAHs. This study addressed this issue by developing a multimedia model coupled with a hydrological model (i.e., Soil and Water Assessment Tool (SWAT)) for Taehwa River (TR) watershed in Ulsan, the industrial capital of South Korea. The hydrologic module of the SWAT was calibrated, and further used to simulate the fate and transport of PAHs in soil and waterbody. The model demonstrated that the temporal or seasonal variation of PAHs in soil and waterbody can be well reproduced. Meanwhile, the spatial distribution of PAHs showed that urban areas in TR watershed have the highest PAH loadings compared to rural areas. Sensitivity analyses of the PAH soil and PAH water parameters were also able to determine the critical processes in TR watershed: degradation, deposition, volatilization, and wash off mechanism. We hope that this model will be able to aid the stakeholders in: regulating PAH concentrations emitted by various sources; and also apply the model to other Persistent Organic Pollutants (POPs).

  17. Evaluating officially reported polycyclic aromatic hydrocarbon emissions in the Athabasca oil sands region with a multimedia fate model

    Science.gov (United States)

    Parajulee, Abha; Wania, Frank

    2014-01-01

    Emissions of organic substances with potential toxicity to humans and the environment are a major concern surrounding the rapid industrial development in the Athabasca oil sands region (AOSR). Although concentrations of polycyclic aromatic hydrocarbons (PAHs) in some environmental samples have been reported, a comprehensive picture of organic contaminant sources, pathways, and sinks within the AOSR has yet to be elucidated. We sought to use a dynamic multimedia environmental fate model to reconcile the emissions and residue levels reported for three representative PAHs in the AOSR. Data describing emissions to air compiled from two official sources result in simulated concentrations in air, soil, water, and foliage that tend to fall close to or below the minimum measured concentrations of phenanthrene, pyrene, and benzo(a)pyrene in the environment. Accounting for evaporative emissions (e.g., from tailings pond disposal) provides a more realistic representation of PAH distribution in the AOSR. Such indirect emissions to air were found to be a greater contributor of PAHs to the AOSR atmosphere relative to reported direct emissions to air. The indirect pathway transporting uncontrolled releases of PAHs to aquatic systems via the atmosphere may be as significant a contributor of PAHs to aquatic systems as other supply pathways. Emission density estimates for the three PAHs that account for tailings pond disposal are much closer to estimated global averages than estimates based on the available emissions datasets, which fall close to the global minima. Our results highlight the need for improved accounting of PAH emissions from oil sands operations, especially in light of continued expansion of these operations. PMID:24596429

  18. Modeling the transport and fate of radioactive noble gases in very dry desert alluvium: Realistic scenarios

    International Nuclear Information System (INIS)

    Lindstrom, F.T.; Cawlfield, D.E.; Donahue, M.E.; Emer, D.F.; Shott, G.J.

    1992-01-01

    US DOE Order 5820.2A (1988) requires that a performance assessment of all new and existing low-level radioactive waste management sites be made. An integral part of every performance assessment is the mathematical modeling of the transport and fate of noble gas radionuclides in the gas phase. Current in depth site characterization of the high desert alluvium in Area 5 of the Nevada Test Site (NTS) is showing that the alluvium is very very dry all the way to the water table (240 meters below land surface). The potential for radioactive noble gas (e.g. Rn-220 and Rn-222) transport to the atmosphere from shallow land burial of Thorium and Uranium waste is very high. Objectives of this modeling effort include: Construct a physics based sits specific noble gas transport model; Include induced advection due to barometric pressure changes at the atmospheric boundary layer (thin) - dry desert alluvium interface; User selected option for use of NOAA barometric pressure or a ''home brewed'' barometric pressure wave made up of up to 15 sinusoids and cosinusoids; Use the model to help make engineering decisions on the design of the burial pits and associated closure caps

  19. Sediment and toxic contaminant transport modeling in coastal waters

    International Nuclear Information System (INIS)

    Onishi, Y.; Mayer, D.W.; Argo, R.S.

    1982-02-01

    A hydrodynamic model, CAFE-I, a wave refraction model, LO3D, and a sediment and contaminant transport model, FETRA, were selected as tools for evaluating exposure levels of radionuclides, heavy metals, and other toxic chemicals in coastal waters. Prior to the application of these models to the Irish Sea and other coastal waters, the finite element model, FETRA, was tested to demonstrate its ability to simulate sediment and contaminant interactions (e.g., adsorption and desorption), and the mechanisms governing the transport, deposition, and resuspension of contaminated sediments

  20. Modelling of contamination of surface atmosphere for deflation of Cesium-137 on contaminated territories

    International Nuclear Information System (INIS)

    Bogdanov, A.P.; Zhmura, G.M.

    1994-01-01

    Presence of Cesium 137 in near land air is caused at the contaminated territories by 'local' dusting and transport of the dust from the zone of strong contamination. For large distance is it caused by resuspension of radioactive dust from the surface in the given region. In accordance with the models of dusting round square sources based on Gauss statistical model of dissemination of admixtures in the atmosphere, the contaminated areas of european part of the former of USSR with the density of contamination over 1 Ci/km 2 with Cesium 137 were represented by 30 round square sources covering the main spots of contamination. The results of calculation of contamination of the atmosphere for several cities of Belarus, Russia and Ukraine, where there are the permanent points of observation for the content of radionuclides in the air, have shown that the proposed model of dusting sources describes the contamination of near land air with Cesium 137 reasonably well. 7 refs., 3 tabs

  1. CASCADER: An M-chain gas-phase radionuclide transport and fate model

    International Nuclear Information System (INIS)

    Lindstrom, F.T.; Cawlfield, D.E.; Emer, D.F.; Shott, G.J.; Donahue, M.E.

    1993-02-01

    Chemicals and radionuclides move either in the gas-phase, liquid-phase, or both phases in soils. They may be acted upon by either biological or abiotic processes through advection and diffusion. Furthermore, parent and daughter radionuclides may decay as they are transported in the soil. CASCADER is a gas-phase, one-space dimensional transport and fate model for M-chain radionuclides in very dry homogeneous or heterogeneous soil. This model contains barometric pressure-induced advection and diffusion together with linear irreversible and linear reversible sorption for each radionuclide. The advection velocity is derived from an embedded air-pumping submodel. The air-pumping submodel is based on an assumption of isothermal conditions, which is driven by barometric pressure. CASCADER allows the concentration of source radionuclides to decay via the classical Bateman chain of simple, first-order kinetic processes. The transported radionuclides also decay via first-order processes while in the soil. A mass conserving, flux-type inlet and exit set of boundary conditions are used. The user must supply the initial distribution for the parent radionuclide in the soil. The initial daughter distribution is found using equilibrium rules. The model is user friendly as it uses a prompt-driven, free-form input. The code is ANSI standard Fortran 77

  2. CASCADER: An m-chain gas-phase radionuclide transport and fate model

    International Nuclear Information System (INIS)

    Lindstrom, F.T.; Cawlfield, D.E.; Emer, D.F.; Shott, G.J.; Donahue, M.E.

    1992-06-01

    Chemicals and radionuclides move either in the gas-phase, liquid-phase, or both phases in soils. They may be acted upon by either biological or abiotic processes as they are advected and/or dispersed. Furthermore, parent and daughter radionuclides may decay as they are transported in the soil. CASCADER is a gas-phase, one space dimensional transport and fate model for an m-chain of radionuclides in very dry soil. This model contains barometric pressure-induced advection and diffusion together with linear irreversible and linear reversible sorption for each radionuclide. The advocation velocity is derived from an embedded air-pumping submodel. The airpumping submodel is based on an assumption of isothermal conditions and is barometric pressure driven. CASCADER allows the concentration of source radionuclides to decay via the classical Bateman chain of simple, first-order kinetic processes. The transported radionuclides also decay via first-order processes while in the soil. A mass conserving, flux-type inlet and exit set of boundary conditions is used. The user must supply the initial distribution for the parent radionuclide in the soil. The initial daughter distribution is found using equilibrium rules. The model is user friendly as it uses a prompt-driven, free-form input. The code is ANSI standard Fortran 77

  3. Binding of Cd by ferrihydrite organo-mineral composites: Implications for Cd mobility and fate in natural and contaminated environments.

    Science.gov (United States)

    Du, Huihui; Peacock, Caroline L; Chen, Wenli; Huang, Qiaoyun

    2018-09-01

    Adsorption and coprecipitation of organic matter with iron (hydr)oxides can alter iron (hydr)oxide surface properties and their reactivity towards nutrient elements and heavy metals. Organo-mineral composites were synthesized using humic acid (HA) and iron oxide, during coprecipitation with ferrihydrite (Fh) and adsorption to pre-formed Fh with two C loadings. The Fh-HA coprecipitated composites have a higher C content and smaller surface area compared to the equivalent adsorbed composites. NanoSIMS shows there is a high degree of spatial correlation between Fe and C for both composites, but C distribution is more uniform in the coprecipitated composites. The C 1s NEXAFS reveals a similar C composition between the Fh-HA coprecipitated and adsorbed composites. However composites at high carbon loading are more enriched in aromatic C, likely due to preferential binding of carboxyl functional groups on aromatic rings in the HA. The amount of Cd sorbed is independent of the composite type, either coprecipitated or adsorbed, but is a function of the C loading. Composites with low C loading show Cd sorption that is almost identical to pure Fh, while composites with high C loading show Cd sorption that is intermediate between pure Fh and pure HA, with sorption significantly enhanced over pure Fh at pH < 6.5. A bidentate edge-sharing binding was identified for Cd on pure Fh and Cd-carboxyl binding on pure HA. These findings have significant implications not only for the sequestration of Cd in contaminated environments but also the coupled biogeochemical cycling of Cd, Fe and C in the critical zone. Crown Copyright © 2018. Published by Elsevier Ltd. All rights reserved.

  4. Pesticide fate at regional scale: Development of an integrated model approach and application

    Science.gov (United States)

    Herbst, M.; Hardelauf, H.; Harms, R.; Vanderborght, J.; Vereecken, H.

    As a result of agricultural practice many soils and aquifers are contaminated with pesticides. In order to quantify the side-effects of these anthropogenic impacts on groundwater quality at regional scale, a process-based, integrated model approach was developed. The Richards’ equation based numerical model TRACE calculates the three-dimensional saturated/unsaturated water flow. For the modeling of regional scale pesticide transport we linked TRACE with the plant module SUCROS and with 3DLEWASTE, a hybrid Lagrangian/Eulerian approach to solve the convection/dispersion equation. We used measurements, standard methods like pedotransfer-functions or parameters from literature to derive the model input for the process model. A first-step application of TRACE/3DLEWASTE to the 20 km 2 test area ‘Zwischenscholle’ for the period 1983-1993 reveals the behaviour of the pesticide isoproturon. The selected test area is characterised by an intense agricultural use and shallow groundwater, resulting in a high vulnerability of the groundwater to pesticide contamination. The model results stress the importance of the unsaturated zone for the occurrence of pesticides in groundwater. Remarkable isoproturon concentrations in groundwater are predicted for locations with thin layered and permeable soils. For four selected locations we used measured piezometric heads to validate predicted groundwater levels. In general, the model results are consistent and reasonable. Thus the developed integrated model approach is seen as a promising tool for the quantification of the agricultural practice impact on groundwater quality.

  5. The role of pesticide fate modelling in a prevention-led approach to potable water quality management

    Science.gov (United States)

    Dolan, Tom; Pullan, Stephanie; Whelan, Mick; Parsons, David

    2013-04-01

    Diffuse inputs from agriculture are commonly the main source of pesticide contamination in surface water and may have implications for the quality of treated drinking water. After privatisation in 1991, UK water companies primarily focused on the provision of sufficient water treatment to reduce the risk of non-compliance with the European Drinking Water Directive (DWD), under which all pesticide concentrations must be below 0.1µg/l and UK Water Supply Regulations for the potable water they supply. Since 2000, Article 7 of the Water Framework Directive (WFD) has begun to drive a prevention-led approach to compliance with the DWD. As a consequence water companies are now more interested in the quality of 'raw' (untreated) water at the point of abstraction. Modelling (based upon best available estimates of cropping, pesticide use, weather conditions, pesticide characteristics, and catchment characteristics) and monitoring of raw water quality can both help to determine the compliance risks associated with the quality of this 'raw' water resource. This knowledge allows water companies to prioritise active substances for action in their catchments, and is currently used in many cases to support the design of monitoring programmes for pesticide active substances. Additional value can be provided if models are able to help to identify the type and scale of catchment management interventions required to achieve DWD compliance for pesticide active substances through pollution prevention at source or along transport pathways. These questions were explored using a simple catchment-scale pesticide fate and transport model. The model employs a daily time-step and is semi-lumped with calculations performed for soil type and crop combinations, weighted by their proportions within the catchment. Soil properties are derived from the national soil database and the model can, therefore, be applied to any catchment in England and Wales. Various realistic catchment management

  6. Modelling the fate of six common pharmaceuticals in a small stream: quantification of attenuation and retention in different stream-specific environments

    Science.gov (United States)

    Riml, Joakim; Wörman, Anders; Kunkel, Uwe; Radke, Michael

    2013-04-01

    Detection of pharmaceutical residues in streaming waters is common in urbanized areas. Although the occurrence and source of these micropollutants is known, their behavior in these aquatic ecosystems is still only partly understood. Specifically, quantitative information of biogeochemical processes in stream-specific environments where predominant reactions occur is often missing. In an attempt to address this knowledge gap, we performed simultaneous tracer tests in Säva Brook, Sweden, with bezafibrate, clofibric acid, diclofenac, ibuprofen, metoprolol and naproxen, as well as with the more inert solutes uranine and Rhodamine WT. The breakthrough curves at five successive sampling stations along a 16 km long stream reach were evaluated using a coupled physical-biogeochemical model framework containing surface water transport together with a representation of transient storage in slow/immobile zones of the stream. The multi-tracer experiment opens for decoupling of hydrological and biogeochemical contribution to the fate, and by linking impact and sensitivity analyses to relative significance of model parameters the most important processes for each contaminant were elucidated. Specifically for Säva Brook, the proposed methodology revealed that the pharmaceutical-contaminated stream water remained in the storage zones for times corresponding to 5-25% of the flow time of the stream. Furthermore, the results indicate a great variability in terms of predominant biogeochemical processes between the different contaminants. Rapid reactions occurring in the transient storage zone attenuated both ibuprofen and clofibric acid, and we conclude that a major degradation pathway for these contaminants was biodegradation in the hyporheic zone. In contrast, bezafibrate, metoprolol, and naproxen were mainly affected by sorption both in the storage zone and the main channel, while diclofenac displayed negligible effects of biogeochemical reactions.

  7. Indirect human exposure assessment of airborne lead deposited on soil via a simplified fate and speciation modelling approach.

    Science.gov (United States)

    Pizzol, Massimo; Bulle, Cécile; Thomsen, Marianne

    2012-04-01

    In order to estimate the total exposure to the lead emissions from a municipal waste combustion plant in Denmark, the indirect pathway via ingestion of lead deposited on soil has to be quantified. Multi-media fate models developed for both Risk Assessment (RA) and Life Cycle Assessment (LCA) can be used for this purpose, but present high uncertainties in the assessment of metal's fate. More sophisticated and metal-specific geochemical models exist, that could lower the uncertainties by e.g. accounting for metal speciation, but they require a large amount of data and are unpractical to combine broadly with other fate and dispersion models. In this study, a Simplified Fate & Speciation Model (SFSM) is presented, that is based on the parsimony principle: "as simple as possible, as complex as needed", and that can be used for indirect human exposure assessment in different context like RA and regionalized LCA. SFSM couples traditional multi-media mass balances with empirical speciation models in a tool that has a simple theoretical framework and that is not data-intensive. The model calculates total concentration, dissolved concentration, and free ion activity of Cd, Cu, Ni, Pb and Zn in different soil layers, after accounting for metal deposition and dispersion. The model is tested for these five metals by using data from peer reviewed literature. Results show good accordance between measured and calculated values (factor of 3). The model is used to predict the human exposure via soil to lead initially emitted into air by the waste combustion plant and both the lead cumulative exposure and intake fraction are calculated. Copyright © 2012 Elsevier B.V. All rights reserved.

  8. Agriculture and groundwater nitrate contamination in the Seine basin. The STICS-MODCOU modelling chain

    International Nuclear Information System (INIS)

    Ledoux, E.; Gomez, E.; Monget, J.M.; Viavattene, C.; Viennot, P.; Ducharne, A.; Benoit, M.; Mignolet, C.; Schott, C.; Mary, B.

    2007-01-01

    A software package is presented here to predict the fate of nitrogen fertilizers and the transport of nitrate from the rooting zone of agricultural areas to surface water and groundwater in the Seine basin, taking into account the long residence times of water and nitrate in the unsaturated and aquifer systems. Information on pedological characteristics, land use and farming practices is used to determine the spatial units to be considered. These data are converted into input data for the crop model STICS which simulates the water and nitrogen balances in the soil-plant system with a daily time-step. A spatial application of STICS has been derived at the catchment scale which computes the water and nitrate fluxes at the bottom of the rooting zone. These fluxes are integrated into a surface and groundwater coupled model MODCOU which calculates the daily water balance in the hydrological system, the flow in the rivers and the piezometric variations in the aquifers, using standard climatic data (rainfall, PET). The transport of nitrate and the evolution of nitrate contamination in groundwater and to rivers is computed by the model NEWSAM. This modelling chain is a valuable tool to predict the evolution of crop productivity and nitrate contamination according to various scenarios modifying farming practices and/or climatic changes. Data for the period 1970-2000 are used to simulate the past evolution of nitrogen contamination. The method has been validated using available data bases of nitrate concentrations in the three main aquifers of the Paris basin (Oligocene, Eocene and chalk). The approach has then been used to predict the future evolution of nitrogen contamination up to 2015. A statistical approach allowed estimating the probability of transgression of different concentration thresholds in various areas in the basin. The model is also used to evaluate the cost of the damage resulting of the treatment of drinking water at the scale of a groundwater management

  9. Agriculture and groundwater nitrate contamination in the Seine basin. The STICS-MODCOU modelling chain

    Energy Technology Data Exchange (ETDEWEB)

    Ledoux, E. [Centre de Geosciences, ENSMP, UMR Sisyphe, Fontainebleau (France)]. E-mail: emmanuel.ledoux@ensmp.fr; Gomez, E. [Centre de Geosciences, ENSMP, UMR Sisyphe, Fontainebleau (France); Monget, J.M. [Centre de Geosciences, ENSMP, UMR Sisyphe, Fontainebleau (France); Viavattene, C. [Centre de Geosciences, ENSMP, UMR Sisyphe, Fontainebleau (France); Viennot, P. [Centre de Geosciences, ENSMP, UMR Sisyphe, Fontainebleau (France); Ducharne, A. [Laboratoire Sisyphe, CNRS/Universite Pierre et Marie Curie, Paris (France); Benoit, M. [INRA, Station de Recherche SAD, 662 avenue Louis Buffet, 88500 Mirecourt (France); Mignolet, C. [INRA, Station de Recherche SAD, 662 avenue Louis Buffet, 88500 Mirecourt (France); Schott, C. [INRA, Station de Recherche SAD, 662 avenue Louis Buffet, 88500 Mirecourt (France); Mary, B. [INRA, Unite d' Agronomie Laon-Reims-Mons, Laon (France)

    2007-04-01

    A software package is presented here to predict the fate of nitrogen fertilizers and the transport of nitrate from the rooting zone of agricultural areas to surface water and groundwater in the Seine basin, taking into account the long residence times of water and nitrate in the unsaturated and aquifer systems. Information on pedological characteristics, land use and farming practices is used to determine the spatial units to be considered. These data are converted into input data for the crop model STICS which simulates the water and nitrogen balances in the soil-plant system with a daily time-step. A spatial application of STICS has been derived at the catchment scale which computes the water and nitrate fluxes at the bottom of the rooting zone. These fluxes are integrated into a surface and groundwater coupled model MODCOU which calculates the daily water balance in the hydrological system, the flow in the rivers and the piezometric variations in the aquifers, using standard climatic data (rainfall, PET). The transport of nitrate and the evolution of nitrate contamination in groundwater and to rivers is computed by the model NEWSAM. This modelling chain is a valuable tool to predict the evolution of crop productivity and nitrate contamination according to various scenarios modifying farming practices and/or climatic changes. Data for the period 1970-2000 are used to simulate the past evolution of nitrogen contamination. The method has been validated using available data bases of nitrate concentrations in the three main aquifers of the Paris basin (Oligocene, Eocene and chalk). The approach has then been used to predict the future evolution of nitrogen contamination up to 2015. A statistical approach allowed estimating the probability of transgression of different concentration thresholds in various areas in the basin. The model is also used to evaluate the cost of the damage resulting of the treatment of drinking water at the scale of a groundwater management

  10. Transcriptional regulation of lineage commitment--a stochastic model of cell fate decisions.

    Directory of Open Access Journals (Sweden)

    Jose Teles

    Full Text Available Molecular mechanisms employed by individual multipotent cells at the point of lineage commitment remain largely uncharacterized. Current paradigms span from instructive to noise-driven mechanisms. Of considerable interest is also whether commitment involves a limited set of genes or the entire transcriptional program, and to what extent gene expression configures multiple trajectories into commitment. Importantly, the transient nature of the commitment transition confounds the experimental capture of committing cells. We develop a computational framework that simulates stochastic commitment events, and affords mechanistic exploration of the fate transition. We use a combined modeling approach guided by gene expression classifier methods that infers a time-series of stochastic commitment events from experimental growth characteristics and gene expression profiling of individual hematopoietic cells captured immediately before and after commitment. We define putative regulators of commitment and probabilistic rules of transition through machine learning methods, and employ clustering and correlation analyses to interrogate gene regulatory interactions in multipotent cells. Against this background, we develop a Monte Carlo time-series stochastic model of transcription where the parameters governing promoter status, mRNA production and mRNA decay in multipotent cells are fitted to experimental static gene expression distributions. Monte Carlo time is converted to physical time using cell culture kinetic data. Probability of commitment in time is a function of gene expression as defined by a logistic regression model obtained from experimental single-cell expression data. Our approach should be applicable to similar differentiating systems where single cell data is available. Within our system, we identify robust model solutions for the multipotent population within physiologically reasonable values and explore model predictions with regard to

  11. Metals fate and transport modelling in streams and watersheds: state of the science and USEPA workshop review

    Science.gov (United States)

    Caruso, B.S.; Cox, T.J.; Runkel, Robert L.; Velleux, M.L.; Bencala, Kenneth E.; Nordstrom, D. Kirk; Julien, P.Y.; Butler, B.A.; Alpers, Charles N.; Marion, A.; Smith, Kathleen S.

    2008-01-01

    Metals pollution in surface waters from point and non-point sources (NPS) is a widespread problem in the United States and worldwide (Lofts et al., 2007; USEPA, 2007). In the western United States, metals associated with acid mine drainage (AMD) from hardrock mines in mountainous areas impact aquatic ecosystems and human health (USEPA, 1997a; Caruso and Ward, 1998; Church et al., 2007). Metals fate and transport modelling in streams and watersheds is sometimes needed for assessment and restoration of surface waters, including mining-impacted streams (Runkel and Kimball, 2002; Caruso, 2003; Velleux et al., 2006). The Water Quality Analysis Simulation Program (WASP; Wool et al., 2001), developed by the US Environmental Protection Agency (USEPA), is an example of a model used for such analyses. Other approaches exist and appropriate model selection depends on site characteristics, data availability and modelling objectives. However, there are a wide range of assumptions, input parameters, data requirements and gaps, and calibration and validation issues that must be addressed by model developers, users and decision makers. Despite substantial work on model development, their successful application has been more limited because they are not often used by decision makers for stream and watershed assessment and restoration. Bringing together scientists, model developers, users and decision makers should stimulate the development of appropriate models and improve the applicability of their results. To address these issues, the USEPA Office of Research and Development and Region 8 (Colorado, Montana, North Dakota, South Dakota, Utah and Wyoming) hosted a workshop in Denver, Colorado on February 13–14, 2007. The workshop brought together approximately 35 experts from government, academia and consulting to address the state of the art for modelling metals fate and transport, knowledge gaps and future directions in metals modelling. It focused on modelling metals in high

  12. Modeling seasonal redox dynamics and the corresponding fate of the pharmaceutical residue phenazone during artificial recharge of groundwater.

    Science.gov (United States)

    Greskowiak, Janek; Prommer, Henning; Massmann, Gudrun; Nützmann, Gunnar

    2006-11-01

    Reactive multicomponent transport modeling was used to investigate and quantify the factors that affect redox zonation and the fate of the pharmaceutical residue phenazone during artificial recharge of groundwater at an infiltration site in Berlin, Germany. The calibrated model and the corresponding sensitivity analysis demonstrated thattemporal and spatial redox zonation at the study site was driven by seasonally changing, temperature-dependent organic matter degradation rates. Breakthrough of phenazone at monitoring wells occurred primarily during the warmer summer months, when anaerobic conditions developed. Assuming a redox-sensitive phenazone degradation behavior the model results provided an excellent agreement between simulated and measured phenazone concentrations. Therefore, the fate of phenazone was shown to be indirectly controlled by the infiltration water temperature through its effect on the aquifer's redox conditions. Other factors such as variable residence times appeared to be of less importance.

  13. Modelling impact of climate change on atmospheric transport and fate of persistent organic pollutants in the Arctic

    Science.gov (United States)

    Hansen, K. M.; Christensen, J. H.; Geels, C.; Silver, J. D.; Brandt, J.

    2015-03-01

    The Danish Eulerian Hemispheric Model (DEHM) was applied to investigate how projected climate changes will affect the atmospheric transport of 13 persistent organic pollutants (POPs) to the Artic and their environmental fate within the Arctic. Two sets of simulations were performed, one with initial environmental concentrations from a 20 year spin-up simulation and one with initial environmental concentrations set to zero. Each set of simulations consisted of two ten-year time slices representing the present (1990-2000) and future (2090-2100) climate conditions. The same POP emissions were applied in all simulations to ensure that the difference in predicted concentrations for each set of simulations only arises from the difference in climate input. DEHM was driven using meteorological input from the global circulation model, ECHAM/MPI-OM, simulating the SRES A1B climate scenario. Under the applied climate and emission scenarios, the total mass of all compounds was predicted to be up to 20% higher across the Northern Hemisphere. The mass of HCHs within the Arctic was predicted to be up to 39% higher, whereas the change in mass of the PCBs was predicted to range from 14% lower to 17% higher depending on the congener and the applied initial environmental concentrations. The results of this study also indicate that contaminants with no or a short emission history will be more rapidly transported to and build up in the arctic environment in a future warmer climate. The process that dominates the environmental behaviour of POPs in the Arctic under a future warmer climate scenario is the shift in mass of POPs from the surface media to the atmosphere induced by the higher mean temperature. This is to some degree counteracted by higher degradation rates also following the higher mean temperature. The more dominant of these two processes depend on the physical-chemical properties of the compounds. Previous model studies have predicted that the effect of a changed climate on

  14. Modelling the impact of climate change on the atmospheric transport and the fate of persistent organic pollutants in the Arctic

    Science.gov (United States)

    Hansen, K. M.; Christensen, J. H.; Geels, C.; Silver, J. D.; Brandt, J.

    2015-06-01

    The Danish Eulerian Hemispheric Model (DEHM) was applied to investigate how projected climate changes will affect the atmospheric transport of 13 persistent organic pollutants (POPs) to the Arctic and their environmental fate within the Arctic. Three sets of simulations were performed, one with present day emissions and initial environmental concentrations from a 20-year spin-up simulation, one with present day emissions and with initial environmental concentrations set to zero and one without emissions but with initial environmental concentrations from the 20-year spin-up simulation. Each set of simulations consisted of two 10-year time slices representing the present (1990-2000) and future (2090-2100) climate conditions. DEHM was driven using meteorological input from the global circulation model, ECHAM/MPI-OM, simulating the SRES (Special Report on Emissions Scenarios) A1B climate scenario. Under the applied climate and emission scenarios, the total mass of all compounds was predicted to be up to 55 % lower across the Northern Hemisphere at the end of the 2090s than in the 1990s. The mass of HCHs within the Arctic was predicted to be up to 38 % higher, whereas the change in mass of the PCBs was predicted to range from 38 % lower to 17 % higher depending on the congener and the applied initial environmental concentrations. The results of this study also indicate that contaminants with no or a short emission history will be more rapidly transported to and build up in the arctic environment in a future warmer climate. The process that dominates the environmental behaviour of POPs in the Arctic under a future warmer climate scenario is the shift in mass of POPs from the surface media to the atmosphere induced by the higher mean temperature. This is to some degree counteracted by higher degradation rates also following the higher mean temperature. The more dominant of these two processes depends on the physical-chemical properties of the compounds. Previous model

  15. Selective dissolution followed by EDDS washing of an e-waste contaminated soil: Extraction efficiency, fate of residual metals, and impact on soil environment.

    Science.gov (United States)

    Beiyuan, Jingzi; Tsang, Daniel C W; Valix, Marjorie; Zhang, Weihua; Yang, Xin; Ok, Yong Sik; Li, Xiang-Dong

    2017-01-01

    To enhance extraction of strongly bound metals from oxide minerals and organic matter, this study examined the sequential use of reductants, oxidants, alkaline solvents and organic acids followed by a biodegradable chelating agent (EDDS, [S,S]-ethylene-diamine-disuccinic-acid) in a two-stage soil washing. The soil was contaminated by Cu, Zn, and Pb at an e-waste recycling site in Qingyuan city, China. In addition to extraction efficiency, this study also examined the fate of residual metals (e.g., leachability, bioaccessibility, and distribution) and the soil quality parameters (i.e., cytotoxicity, enzyme activities, and available nutrients). The reductants (dithionite-citrate-bicarbonate and hydroxylamine hydrochloride) effectively extracted metals by mineral dissolution, but elevated the leachability and bioaccessibility of metals due to the transformation from Fe/Mn oxides to labile fractions. Subsequent EDDS washing was found necessary to mitigate the residual risks. In comparison, prior washing by oxidants (persulphate, hypochlorite, and hydrogen peroxide) was marginally useful because of limited amount of soil organic matter. Prior washing by alkaline solvents (sodium hydroxide and sodium bicarbonate) was also ineffective due to metal precipitation. In contrast, prior washing by low-molecular-weight organic acids (citrate and oxalate) improved the extraction efficiency. Compared to hydroxylamine hydrochloride, citrate and oxalate induced lower cytotoxicity (Microtox) and allowed higher enzyme activities (dehydrogenase, acid phosphatase, and urease) and soil nutrients (available nitrogen and phosphorus), which would facilitate reuse of the treated soil. Therefore, while sequential washing proved to enhance extraction efficacy, the selection of chemical agents besides EDDS should also include the consideration of effects on metal leachability/bioaccessibility and soil quality. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. Arms race between selfishness and policing: two-trait quantitative genetic model for caste fate conflict in eusocial Hymenoptera.

    Science.gov (United States)

    Dobata, Shigeto

    2012-12-01

    Policing against selfishness is now regarded as the main force maintaining cooperation, by reducing costly conflict in complex social systems. Although policing has been studied extensively in social insect colonies, its coevolution against selfishness has not been fully captured by previous theories. In this study, I developed a two-trait quantitative genetic model of the conflict between selfish immature females (usually larvae) and policing workers in eusocial Hymenoptera over the immatures' propensity to develop into new queens. This model allows for the analysis of coevolution between genomes expressed in immatures and workers that collectively determine the immatures' queen caste fate. The main prediction of the model is that a higher level of polyandry leads to a smaller fraction of queens produced among new females through caste fate policing. The other main prediction of the present model is that, as a result of arms race, caste fate policing by workers coevolves with exaggerated selfishness of the immatures achieving maximum potential to develop into queens. Moreover, the model can incorporate genetic correlation between traits, which has been largely unexplored in social evolution theory. This study highlights the importance of understanding social traits as influenced by the coevolution of conflicting genomes. © 2012 The Author. Evolution© 2012 The Society for the Study of Evolution.

  17. Computer modelling of contaminant migration in natural disperse media

    International Nuclear Information System (INIS)

    Kundas, S.P.; Gishkelyuk, I.A.; Khil'ko, O.S.

    2012-01-01

    The theoretical foundations for modeling of the contaminants migration in natural disperses media taking into account interconnected heat and moisture transport are developed. The calculation of mass transfer parameters based on adsorption isotherms of water and thermodynamic equations in the developed mathematical models. The artificial neural networks use to predict migration of contaminants in natural disperse media is proposed. The developed software package is presented and results of practical application of models and software are discussed. (authors)

  18. An adaptive hybrid EnKF-OI scheme for efficient state-parameter estimation of reactive contaminant transport models

    KAUST Repository

    El Gharamti, Mohamad; Valstar, Johan R.; Hoteit, Ibrahim

    2014-01-01

    Reactive contaminant transport models are used by hydrologists to simulate and study the migration and fate of industrial waste in subsurface aquifers. Accurate transport modeling of such waste requires clear understanding of the system's parameters, such as sorption and biodegradation. In this study, we present an efficient sequential data assimilation scheme that computes accurate estimates of aquifer contamination and spatially variable sorption coefficients. This assimilation scheme is based on a hybrid formulation of the ensemble Kalman filter (EnKF) and optimal interpolation (OI) in which solute concentration measurements are assimilated via a recursive dual estimation of sorption coefficients and contaminant state variables. This hybrid EnKF-OI scheme is used to mitigate background covariance limitations due to ensemble under-sampling and neglected model errors. Numerical experiments are conducted with a two-dimensional synthetic aquifer in which cobalt-60, a radioactive contaminant, is leached in a saturated heterogeneous clayey sandstone zone. Assimilation experiments are investigated under different settings and sources of model and observational errors. Simulation results demonstrate that the proposed hybrid EnKF-OI scheme successfully recovers both the contaminant and the sorption rate and reduces their uncertainties. Sensitivity analyses also suggest that the adaptive hybrid scheme remains effective with small ensembles, allowing to reduce the ensemble size by up to 80% with respect to the standard EnKF scheme. © 2014 Elsevier Ltd.

  19. An adaptive hybrid EnKF-OI scheme for efficient state-parameter estimation of reactive contaminant transport models

    KAUST Repository

    El Gharamti, Mohamad

    2014-09-01

    Reactive contaminant transport models are used by hydrologists to simulate and study the migration and fate of industrial waste in subsurface aquifers. Accurate transport modeling of such waste requires clear understanding of the system\\'s parameters, such as sorption and biodegradation. In this study, we present an efficient sequential data assimilation scheme that computes accurate estimates of aquifer contamination and spatially variable sorption coefficients. This assimilation scheme is based on a hybrid formulation of the ensemble Kalman filter (EnKF) and optimal interpolation (OI) in which solute concentration measurements are assimilated via a recursive dual estimation of sorption coefficients and contaminant state variables. This hybrid EnKF-OI scheme is used to mitigate background covariance limitations due to ensemble under-sampling and neglected model errors. Numerical experiments are conducted with a two-dimensional synthetic aquifer in which cobalt-60, a radioactive contaminant, is leached in a saturated heterogeneous clayey sandstone zone. Assimilation experiments are investigated under different settings and sources of model and observational errors. Simulation results demonstrate that the proposed hybrid EnKF-OI scheme successfully recovers both the contaminant and the sorption rate and reduces their uncertainties. Sensitivity analyses also suggest that the adaptive hybrid scheme remains effective with small ensembles, allowing to reduce the ensemble size by up to 80% with respect to the standard EnKF scheme. © 2014 Elsevier Ltd.

  20. ESI nuclear model 271 C contamination monitor

    International Nuclear Information System (INIS)

    Burgess, P.H.; Iles, W.J.

    1978-06-01

    This instrument is a general purpose contamination monitor, comprising a GM tube connected by a coiled extensible cable to a ratemeter. The scale is marked quasi-logarithmically from 0 to 600 in 'counts per second'. The report falls under the headings: general description, facilities and controls, radiation performance, electrical characteristics, environmental characteristics, mechanical characteristics, summary of performance, conclusions. (U.K.)

  1. Simulation–optimization model for groundwater contamination ...

    Indian Academy of Sciences (India)

    used techniques for groundwater remediation in which the contaminated groundwater is pumped ... ing the affected groundwater aquifer down to some drinking water standard. Several .... For simplicity, rectangular support domain is used in this study. Figure 1 ..... For PAT remediation system, decision variables include the.

  2. 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.

  3. Oceanographic and behavioural assumptions in models of the fate of coral and coral reef fish larvae.

    Science.gov (United States)

    Wolanski, Eric; Kingsford, Michael J

    2014-09-06

    A predictive model of the fate of coral reef fish larvae in a reef system is proposed that combines the oceanographic processes of advection and turbulent diffusion with the biological process of horizontal swimming controlled by olfactory and auditory cues within the timescales of larval development. In the model, auditory cues resulted in swimming towards the reefs when within hearing distance of the reef, whereas olfactory cues resulted in the larvae swimming towards the natal reef in open waters by swimming against the concentration gradients in the smell plume emanating from the natal reef. The model suggested that the self-seeding rate may be quite large, at least 20% for the larvae of rapidly developing reef fish species, which contrasted with a self-seeding rate less than 2% for non-swimming coral larvae. The predicted self-recruitment rate of reefs was sensitive to a number of parameters, such as the time at which the fish larvae reach post-flexion, the pelagic larval duration of the larvae, the horizontal turbulent diffusion coefficient in reefal waters and the horizontal swimming behaviour of the fish larvae in response to auditory and olfactory cues, for which better field data are needed. Thus, the model suggested that high self-seeding rates for reef fish are possible, even in areas where the 'sticky water' effect is minimal and in the absence of long-term trapping in oceanic fronts and/or large-scale oceanic eddies or filaments that are often argued to facilitate the return of the larvae after long periods of drifting at sea. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

  4. Fate of challenge schistosomula in the murine anti-schistosome vaccine model

    International Nuclear Information System (INIS)

    Von Lichtenberg, F.; Correa-Oliveira, R.; Sher, A.

    1985-01-01

    Mice exposed to irradiated cercariae of Schistosoma mansoni develop a partial resistance to subsequent parasite challenge. In this study the authors utilized histopathologic methods to investigate the fate of both the immunizing and challenge cercariae in C57BL/6J mice. After immunization by percutaneous infection, a large number of the 50 Kr irradiated organisms could be detected in tissue sections of lung. However, as early as 2 weeks after immunization, the majority of these schistosomula apparently had died, leaving residual inflammatory foci. The numbers of these foci then gradually declined during the next 4 weeks of examination. Cercarial challenge of mice vaccinated 4 weeks previously provoked an intense eosinophil-enriched inflammatory response in percutaneously exposed ear pinnae. Despite these pronounced tissue reactions, no evidence of significant parasite damage or attrition was detected in this migration site. In contrast, schistosomula arriving in the lungs of vaccinated mice produced a greater number of residual inflammatory foci than did larvae appearing in the lungs of normal mice. In addition, challenge schistosomula were cleared from the lungs of vaccinated mice at a slower rate than they were from the lungs of control mice. These observations suggest that the lung is a major site of parasite attrition for both immunizing and challenge infections in the mouse irradiated vaccine model

  5. A compositional multiphase model for groundwater contamination by petroleum products: 1. Theoretical considerations

    Science.gov (United States)

    Corapcioglu, M. Yavuz; Baehr, Arthur L.

    1987-01-01

    A mathematical model is developed to describe the fate of hydrocarbon constituents of petroleum products introduced to soils as an immiscible liquid from sources such as leaking underground storage tanks and ruptured pipelines. The problem is one of multiphase transport (oil (immiscible), air, and water phases) of a reactive contaminant with constituents such as benzene, toluene, and xylene found in refined petroleum products like gasoline. In the unsaturated zone, transport of each constituent can occur as a solute in the water phase, vapor in the air phase, and as an unaltered constituent in the oil phase. Additionally, the model allows for adsorption. Molecular transformations, microbially mediated or abiotic, are incorporated as sink terms in the conservation of mass equations. An equilibrium approximation, applicable to any immiscible organic contaminant is applied to partition constituent mass between the air, oil, water, and adsorbed phases for points in the region where the oil phase exists. Outside the oil plume the equilibrium approximation takes on a simpler form to partition constituent mass between the air, water, and adsorbed phases only. Microbial degradation of petroleum products is first discussed in a general model, then the conservation of mass equation for oxygen is incorporated into the analysis which takes advantage of the key role played by oxygen in the metabolism of hydrocarbon utilizing microbes in soil environments. Approximations to two subproblems, oil plume establishment in the unsaturated zone, and solute and vapor transport subsequent to immiscible plume establishment are then developed from the general model.

  6. Sources, fate, and transport of nitrogen and phosphorus in the Chesapeake Bay watershed-An empirical model

    Science.gov (United States)

    Ator, Scott W.; Brakebill, John W.; Blomquist, Joel D.

    2011-01-01

    Spatially Referenced Regression on Watershed Attributes (SPARROW) was used to provide empirical estimates of the sources, fate, and transport of total nitrogen (TN) and total phosphorus (TP) in the Chesapeake Bay watershed, and the mean annual TN and TP flux to the bay and in each of 80,579 nontidal tributary stream reaches. Restoration efforts in recent decades have been insufficient to meet established standards for water quality and ecological conditions in Chesapeake Bay. The bay watershed includes 166,000 square kilometers of mixed land uses, multiple nutrient sources, and variable hydrogeologic, soil, and weather conditions, and bay restoration is complicated by the multitude of nutrient sources and complex interacting factors affecting the occurrence, fate, and transport of nitrogen and phosphorus from source areas to streams and the estuary. Effective and efficient nutrient management at the regional scale in support of Chesapeake Bay restoration requires a comprehensive understanding of the sources, fate, and transport of nitrogen and phosphorus in the watershed, which is only available through regional models. The current models, Chesapeake Bay nutrient SPARROW models, version 4 (CBTN_v4 and CBTP_v4), were constructed at a finer spatial resolution than previous SPARROW models for the Chesapeake Bay watershed (versions 1, 2, and 3), and include an updated timeframe and modified sources and other explantory terms.

  7. Comparative study of surrogate models for groundwater contamination source identification at DNAPL-contaminated sites

    Science.gov (United States)

    Hou, Zeyu; Lu, Wenxi

    2018-05-01

    Knowledge of groundwater contamination sources is critical for effectively protecting groundwater resources, estimating risks, mitigating disaster, and designing remediation strategies. Many methods for groundwater contamination source identification (GCSI) have been developed in recent years, including the simulation-optimization technique. This study proposes utilizing a support vector regression (SVR) model and a kernel extreme learning machine (KELM) model to enrich the content of the surrogate model. The surrogate model was itself key in replacing the simulation model, reducing the huge computational burden of iterations in the simulation-optimization technique to solve GCSI problems, especially in GCSI problems of aquifers contaminated by dense nonaqueous phase liquids (DNAPLs). A comparative study between the Kriging, SVR, and KELM models is reported. Additionally, there is analysis of the influence of parameter optimization and the structure of the training sample dataset on the approximation accuracy of the surrogate model. It was found that the KELM model was the most accurate surrogate model, and its performance was significantly improved after parameter optimization. The approximation accuracy of the surrogate model to the simulation model did not always improve with increasing numbers of training samples. Using the appropriate number of training samples was critical for improving the performance of the surrogate model and avoiding unnecessary computational workload. It was concluded that the KELM model developed in this work could reasonably predict system responses in given operation conditions. Replacing the simulation model with a KELM model considerably reduced the computational burden of the simulation-optimization process and also maintained high computation accuracy.

  8. Biological degradation of triclocarban and triclosan in a soil under aerobic and anaerobic conditions and comparison with environmental fate modelling

    Energy Technology Data Exchange (ETDEWEB)

    Guangguo, Ying [State Key Laboratory of Organic Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); CSIRO Land and Water, Adelaide Laboratory, PMB2, Glen Osmond SA 5064 (Australia)], E-mail: guang-guo.ying@gig.ac.cn; Xiangyang, Yu [CSIRO Land and Water, Adelaide Laboratory, PMB2, Glen Osmond SA 5064 (Australia); Food Safety Research Institute, Jiangsu Academy of Agricultural Sciences, Nanjing 210014 (China); Kookana, Rai S [CSIRO Land and Water, Adelaide Laboratory, PMB2, Glen Osmond SA 5064 (Australia)

    2007-12-15

    Triclocarban and triclosan are two antimicrobial agents widely used in many personal care products. Their biodegradation behaviour in soil was investigated by laboratory degradation experiments and environmental fate modelling. Quantitative structure-activity relationship (QSAR) analyses showed that triclocarban and triclosan had a tendency to partition into soil or sediment in the environment. Fate modelling suggests that either triclocarban or triclosan 'does not degrade fast' with its primary biodegradation half-life of 'weeks' and ultimate biodegradation half-life of 'months'. Laboratory experiments showed that triclocarban and triclosan were degraded in the aerobic soil with half-life of 108 days and 18 days, respectively. No negative effect of these two antimicrobial agents on soil microbial activity was observed in the aerobic soil samples during the experiments. But these two compounds persisted in the anaerobic soil within 70 days of the experimental period. - Triclocarban and triclosan can be degraded by microbial processes in aerobic soil, but will persist in anaerobic soil.

  9. Biological degradation of triclocarban and triclosan in a soil under aerobic and anaerobic conditions and comparison with environmental fate modelling

    International Nuclear Information System (INIS)

    Ying Guangguo; Yu Xiangyang; Kookana, Rai S.

    2007-01-01

    Triclocarban and triclosan are two antimicrobial agents widely used in many personal care products. Their biodegradation behaviour in soil was investigated by laboratory degradation experiments and environmental fate modelling. Quantitative structure-activity relationship (QSAR) analyses showed that triclocarban and triclosan had a tendency to partition into soil or sediment in the environment. Fate modelling suggests that either triclocarban or triclosan 'does not degrade fast' with its primary biodegradation half-life of 'weeks' and ultimate biodegradation half-life of 'months'. Laboratory experiments showed that triclocarban and triclosan were degraded in the aerobic soil with half-life of 108 days and 18 days, respectively. No negative effect of these two antimicrobial agents on soil microbial activity was observed in the aerobic soil samples during the experiments. But these two compounds persisted in the anaerobic soil within 70 days of the experimental period. - Triclocarban and triclosan can be degraded by microbial processes in aerobic soil, but will persist in anaerobic soil

  10. Inexact Socio-Dynamic Modeling of Groundwater Contamination Management

    Science.gov (United States)

    Vesselinov, V. V.; Zhang, X.

    2015-12-01

    Groundwater contamination may alter the behaviors of the public such as adaptation to such a contamination event. On the other hand, social behaviors may affect groundwater contamination and associated risk levels such as through changing ingestion amount of groundwater due to the contamination. Decisions should consider not only the contamination itself, but also social attitudes on such contamination events. Such decisions are inherently associated with uncertainty, such as subjective judgement from decision makers and their implicit knowledge on selection of whether to supply water or reduce the amount of supplied water under the scenario of the contamination. A socio-dynamic model based on the theories of information-gap and fuzzy sets is being developed to address the social behaviors facing the groundwater contamination and applied to a synthetic problem designed based on typical groundwater remediation sites where the effects of social behaviors on decisions are investigated and analyzed. Different uncertainties including deep uncertainty and vague/ambiguous uncertainty are effectively and integrally addressed. The results can provide scientifically-defensible decision supports for groundwater management in face of the contamination.

  11. What determines PCB concentrations in soils in rural and urban areas? Insights from a multi-media fate model for Switzerland as a case study.

    Science.gov (United States)

    Glüge, Juliane; Bogdal, Christian; Scheringer, Martin; Hungerbühler, Konrad

    2016-04-15

    Polychlorinated biphenyls (PCBs) are banned worldwide under the Stockholm Convention on Persistent Organic Pollutants. However, PCBs are still emitted in appreciable amounts from remaining primary sources in urban areas or landfills and are ubiquitous environmental contaminants, inter alia in soil and air. Concentrations of PCBs have been measured in various media by numerous studies worldwide. However, monitoring data do not always provide quantitative information about transport processes between different media, deposition fluxes to ground, or distribution of PCBs between environmental compartments. Also future trends in environmental contamination by PCBs cannot be predicted from monitoring data, but such information is highly relevant for decision-makers. Here, we present a new regionally resolved dynamic multimedia mass balance model for Switzerland to investigate the origin of PCBs in air and to investigate their long-term fate and mass balance in the environment. The model was validated with existing field data for PCBs. We find that advective inflow of PCBs from outside Switzerland into the atmospheric boundary layer is responsible for 80% of PCBs present in air in Switzerland, whereas Swiss emissions cause the remaining 20%. Furthermore, we show that the atmospheric deposition of the higher-chlorinated PCBs is dominated by particle-bound deposition, whereas the deposition of the lower-chlorinated PCBs is a combination of particle-bound and gaseous deposition. The volume fraction of particles in air is in both cases an important factor driving the deposition of PCBs to ground and, thus, contributing to the higher concentrations of PCBs generally observed in populated and polluted areas. Regional emissions influence the deposition fluxes only to a limited extent. We also find that secondary emissions from environmental reservoirs do not exceed primary emissions for all PCB congeners until at least 2036. Finally, we use our model to evaluate the effect of

  12. Modeling Quantum Dot Nanoparticle Fate and Transport in Saturated Porous Media under Varying Flow Conditions

    Science.gov (United States)

    Becker, M. D.; Wang, Y.; Englehart, J.; Pennell, K. D.; Abriola, L. M.

    2010-12-01

    As manufactured nanomaterials become more prevalent in commercial and industrial applications, the development of mathematical models capable of predicting nanomaterial transport and retention in subsurface systems is crucial to assessing their fate and distribution in the environment. A systematic modeling approach based on a modification of clean-bed filtration theory was undertaken to elucidate mechanisms governing the transport and deposition behavior of quantum dots in saturated quartz sand as a function of grain size and flow velocity. The traditional deposition governing equation, which assumes irreversible attachment by a first-order rate (katt), was modified to include a maximum or limiting retention capacity (Smax) and first-order detachment of particles from the solid phase (kdet). Quantum dot mobility experiments were performed in columns packed with three size fractions of Ottawa sand (d50 = 125, 165, and 335 μm) at two different pore-water velocities (0.8 m/d and 7.6 m/d). The CdSe quantum dots in a CdZnS shell and polyacrylic acid coating were negatively charged (zeta potential measured ca. -35 mV) with a hydrodynamic diameter of approximately 30 nm. Fitted values of katt, Smax, and kdet were obtained for each transport and deposition experiment through the implementation of a nonlinear least-squares routine developed to fit the model to experimental breakthrough and retention data via multivariate optimization. Fitted attachment rates and retention capacities increased exponentially with decreasing grain size at both flow rates, while no discernable trend was apparent for the fitted detachment rates. Maximum retention capacity values were plotted against a normalized mass flux expression, which accounts for flow conditions and grain size. A power function fit to the data yielded a dependence that was consistent with a previous study undertaken with fullerene nanoparticles.

  13. Radiative Transfer Model for Contaminated Rough Surfaces

    Science.gov (United States)

    2013-02-01

    reflectance of potassium chlorate and ammonium nitrate contaminated surfaces in mid-wavelength and long-wavelength infrared for detection. Our framework...obtained excellent or good results for lab measurements of potassium chlorate on most aluminum surfaces; however, ammonium nitrate on painted aluminum...misidentify potassium chlorate as ammonium nitrate and vice versa). We also observed moderate success on field data. 15. SUBJECT TERMS radiative

  14. A pollution fate and transport model application in a semi-arid region: Is some number better than no number?

    Science.gov (United States)

    Özcan, Zeynep; Başkan, Oğuz; Düzgün, H Şebnem; Kentel, Elçin; Alp, Emre

    2017-10-01

    Fate and transport models are powerful tools that aid authorities in making unbiased decisions for developing sustainable management strategies. Application of pollution fate and transport models in semi-arid regions has been challenging because of unique hydrological characteristics and limited data availability. Significant temporal and spatial variability in rainfall events, complex interactions between soil, vegetation and topography, and limited water quality and hydrological data due to insufficient monitoring network make it a difficult task to develop reliable models in semi-arid regions. The performances of these models govern the final use of the outcomes such as policy implementation, screening, economical analysis, etc. In this study, a deterministic distributed fate and transport model, SWAT, is applied in Lake Mogan Watershed, a semi-arid region dominated by dry agricultural practices, to estimate nutrient loads and to develop the water budget of the watershed. To minimize the discrepancy due to limited availability of historical water quality data extensive efforts were placed in collecting site-specific data for model inputs such as soil properties, agricultural practice information and land use. Moreover, calibration parameter ranges suggested in the literature are utilized during calibration in order to obtain more realistic representation of Lake Mogan Watershed in the model. Model performance is evaluated using comparisons of the measured data with 95%CI for the simulated data and comparison of unit pollution load estimations with those provided in the literature for similar catchments, in addition to commonly used evaluation criteria such as Nash-Sutcliffe simulation efficiency, coefficient of determination and percent bias. These evaluations demonstrated that even though the model prediction power is not high according to the commonly used model performance criteria, the calibrated model may provide useful information in the comparison of the

  15. Behaviour and fate radionuclides in soils. Mathematical modelling and experimental investigations

    International Nuclear Information System (INIS)

    Rovdan, E.N.

    2003-01-01

    The uncontrolled release of radionuclides as result of Chernobyl accident has led to contamination of 23% of territory of Republic of Belarus. Soil has high capacity to adsorb radionuclides and their intensive sorption provides the creation of a long-lived radionuclide source in a terrestrial environment. In the management of the contaminated areas and application of a countermeasure strategy it is extremely important to know the environmental mechanisms governing the behaviour of radionuclides in soils. Basic attention in the work is paid to the study of 137 Cs and 90 Sr because they are the main radionuclides from the view point of radioactive danger in polluted areas. The main features and processes that control radionuclide behaviour in soil have been analysed. On the basis of natural researches, lab test and mathematical modelling the impact of physical-chemical factors and the soil component composition changes upon the radionuclides migration and sorption in natural dispersed systems (peat, sand, bentonite, kaolin, sapropel) has been investigated. The investigations done allowed to substantiate the mathematical models of the radionuclides migration in the regions of positive and negative temperatures, to develop methods of experimental identification of main transfer characteristics and to compile a data base for these models. (orig.)

  16. Ocean Dredged Material Disposal Site (ODMDS) Authorization and Short-Term FATE (STFATE) Model Analysis: 2014-2015 Working Group Findings Report

    Science.gov (United States)

    2016-03-01

    fractions A grain size or sieve analysis typically yields the mass fraction of each particle size class after dispersing all of the material. However...ER D C TR -1 6- 2 Ocean Dredged Material Disposal Site (ODMDS) Authorization and Short-Term FATE (STFATE) Model Analysis 2014 – 2015...Term FATE (STFATE) Model Analysis 2014 – 2015 Working Group Findings Report Jase D. Ousley Coastal and Hydraulics Laboratory U.S. Army Engineer

  17. Multidisciplinary Studies of the Fate and Transport of Contaminants in Ground Water at the U.S. Geological Survey Cape Cod Toxic Substances Hydrology Program Research Site, Massachusetts

    Science.gov (United States)

    Leblanc, D. R.; Smith, R. L.; Kent, D. B.; Barber, L. B.; Harvey, R. W.

    2008-12-01

    The U.S. Geological Survey conducts multidisciplinary research on the physical, chemical, and microbiological processes affecting ground-water contaminants of global concern at its Cape Cod Toxic Substances Hydrology Program site in Massachusetts, USA. The work centers on a 6-kilometer-long plume of treated wastewater in a glacial sand and gravel aquifer. The plume is characterized by distinct geochemical zones caused by the biodegradation of organic materials in treated wastewater that was disposed to the aquifer by rapid infiltration during the period 1936-95. A core group of hydrogeologists, geochemists, microbiologists, and geophysicists has been involved in the research effort for more than two decades. The effort has been enhanced by stable funding, a readily accessible site, a relatively simple hydrologic setting, and logistical support from an adjacent military base. The research team uses a three-part approach to plan and conduct research at the site. First, detailed spatial and temporal monitoring of the plume since the late 1970s provides field evidence of important contaminant-transport processes and provides the basis for multidisciplinary, process-oriented studies. Second, ground-water tracer experiments are conducted in various geochemical zones in the plume to study factors that control the rate and extent of contaminant transport. Several arrays of multilevel sampling devices, including an array with more than 15,000 individual sampling points, are used to conduct these experiments. Plume-scale (kilometers) and tracer-test-scale (1- 100 meters) studies are complemented by laboratory experiments and mathematical modeling of flow and reactive transport. Third, results are applied to the treated-wastewater plume, other contaminant plumes at the military base, and other sites nationally to evaluate the applicability of the findings and to point toward further research. Examples of findings to date include that (1) macrodispersivity can be related to

  18. Review and assessment of models used to predict the fate of radionuclides in lakes

    International Nuclear Information System (INIS)

    Monte, Luigi; Brittain, John E.; Haakanson, Lars; Heling, Rudie; Smith, Jim T.; Zheleznyak, Mark

    2003-01-01

    A variety of models for predicting the behaviour of radionuclides in fresh water ecosystems have been developed and tested during recent decades within the framework of many international research projects. These models have been implemented in Computerised Decision Support Systems (CDSS) for assisting the appropriate management of fresh water bodies contaminated by radionuclides. The assessment of the state-of-the-art and the consolidation of these CDSSs has been envisaged, by the scientific community, as a primary necessity for the rationalisation of the sector. The classification of the approaches of the various models, the determination of their essential features, the identification of similarities and differences among them and the definition of their application domains are all essential for the harmonisation of the existing CDSSs and for the possible development and improvement of reference models that can be widely applied in different environmental conditions. The present paper summarises the results of the assessment and evaluation of models for predicting the behaviour of radionuclides in lacustrine ecosystems. Such models were developed and tested within major projects financed by the European Commission during its 4th Framework Programme (1994-1998). The work done during the recent decades by many modellers at an international level has produced some consolidated results that are widely accepted by most experts. Nevertheless, some new results have arisen from recent studies and certain model improvements are still necessary

  19. Using Novel Laboratory Incubations and Field Experiments to Identify the Source and Fate of Reactive Organic Carbon in an Arsenic-contaminated Aquifer System

    Science.gov (United States)

    Stahl, M.; Tarek, M. H.; Badruzzaman, B.; Harvey, C. F.

    2017-12-01

    Characterizing the sources and fate of organic matter (OM) within aquifer systems is key to our understanding of both the broader global carbon cycle as well as the quality of our groundwater resources. The linkage between the subsurface carbon cycle and groundwater quality is perhaps nowhere more apparent than in the aquifer systems of South and Southeast Asia, where the contamination of groundwater with geogenic arsenic (As) is widespread and threatens the health of millions of individuals. OM fuels the biogeochemical processes driving As mobilization within these aquifers, however the source (i.e., modern surface-derived or aged sedimentary OM) of the reactive OM is widely debated. To characterize the sources of OM driving aquifer redox processes we tracked DIC and DOC concentrations and isotopes (stable and radiocarbon) along groundwater flow-paths and beneath an instrumented study pond at a field site in Bangladesh. We also conducted a set of novel groundwater incubation experiments, where we carbon-dated the DOC at the start and end of a experiment in order to determine the age of the OM that was mineralized. Our carbon/isotope balance reveals that aquifer recharge introduces a large quantity of young (i.e. near modern) OM that is efficiently mineralized within the upper few meters of the aquifer, effectively limiting this pool of reactive surface-sourced OM from being transported deeper into the aquifer where significant As mobilization takes place. The OM mineralized past the upper few meters is an aged, sedimentary source. Consistent with our field data, our incubation experiments show that past the upper few meters of the aquifer the reactive DOC is significantly older than the bulk DOC and has an age consistent with sedimentary OM. Combining our novel set of incubation experiments and a carbon/isotope balance along groundwater flow-paths and beneath our study pond we have identified the sources of reactive OM across different aquifer depths in a

  20. Modeling, Monitoring and Fault Diagnosis of Spacecraft Air Contaminants

    Science.gov (United States)

    Ramirez, W. Fred; Skliar, Mikhail; Narayan, Anand; Morgenthaler, George W.; Smith, Gerald J.

    1998-01-01

    Control of air contaminants is a crucial factor in the safety considerations of crewed space flight. Indoor air quality needs to be closely monitored during long range missions such as a Mars mission, and also on large complex space structures such as the International Space Station. This work mainly pertains to the detection and simulation of air contaminants in the space station, though much of the work is easily extended to buildings, and issues of ventilation systems. Here we propose a method with which to track the presence of contaminants using an accurate physical model, and also develop a robust procedure that would raise alarms when certain tolerance levels are exceeded. A part of this research concerns the modeling of air flow inside a spacecraft, and the consequent dispersal pattern of contaminants. Our objective is to also monitor the contaminants on-line, so we develop a state estimation procedure that makes use of the measurements from a sensor system and determines an optimal estimate of the contamination in the system as a function of time and space. The real-time optimal estimates in turn are used to detect faults in the system and also offer diagnoses as to their sources. This work is concerned with the monitoring of air contaminants aboard future generation spacecraft and seeks to satisfy NASA's requirements as outlined in their Strategic Plan document (Technology Development Requirements, 1996).

  1. Modeling of laser damage initiated by surface contamination

    International Nuclear Information System (INIS)

    Feit, M.D.; Rubenchik, A.M.; Faux, D.R.; Riddle, R.A.; Shapiro, A.; Eder, D.C.; Penetrante, B.M.; Milam, D.; Genin, F.Y.; Kozlowski, M.R.

    1996-11-01

    The authors are engaged in a comprehensive effort to understand and model the initiation and growth of laser damage initiated by surface contaminants. This includes, for example, the initial absorption by the contaminant, heating and plasma generation, pressure and thermal loading of the transparent substrate, and subsequent shockwave propagation, 'splashing' of molten material and possible spallation, optical propagation and scattering, and treatment of material fracture. The integration use of large radiation hydrodynamics codes, optical propagation codes and material strength codes enables a comprehensive view of the damage process The following picture of surface contaminant initiated laser damage is emerging from our simulations

  2. Software for modelling groundwater transport and contaminant migration

    International Nuclear Information System (INIS)

    Gishkelyuk, I.A.

    2008-01-01

    Facilities of modern software for modeling of groundwater transport and process of contaminant distribution are considered. Advantages of their application are discussed. The comparative analysis of mathematical modeling software of 'Groundwater modeling system' and 'Earth Science Module' from 'COMSOL Multiphysics' is carried out. (authors)

  3. Modeling the Fate of Groundwater Contaminants Resulting from Leakage of Butanol-blended Fuel

    Science.gov (United States)

    2010-03-01

    Toyama et al., 1995) ADH IIG N.R. 14.7 11.12 (Toyama et al., 1995) Pichia pastoris N.R. 4.8 N.R. (Borzeix et al., 1995) Mixed culture ( trickle - bed ... reactor ) 16.8 0.10 42.2 (Heinze and Friedrich, 1997) ( ) ( )1 min ˆ ˆ( ); ; molS S Smg protein mg Ld q Kµµ − ⋅ ; N.R.: not reported Mariano et...Research. 32(7): 2065-2072, 1998. Dagaut, P. and C. Togbe. Oxidation kinetics of butanol-gasoline surrogate mixtures in a jet-stirred reactor

  4. Identification of TCE and PCE sorption and biodegradation parameters in a sandy aquifer for fate and transport modelling: batch and column studies.

    Science.gov (United States)

    Kret, E; Kiecak, A; Malina, G; Nijenhuis, I; Postawa, A

    2015-07-01

    The main aim of this study was to determine the sorption and biodegradation parameters of trichloroethene (TCE) and tetrachloroethene (PCE) as input data required for their fate and transport modelling in a Quaternary sandy aquifer. Sorption was determined based on batch and column experiments, while biodegradation was investigated using the compound-specific isotope analysis (CSIA). The aquifer materials medium (soil 1) to fine (soil 2) sands and groundwater samples came from the representative profile of the contaminated site (south-east Poland). The sorption isotherms were approximately linear (TCE, soil 1, K d = 0.0016; PCE, soil 1, K d = 0.0051; PCE, soil 2, K d = 0.0069) except for one case in which the best fitting was for the Langmuir isotherm (TCE, soil 2, K f = 0.6493 and S max = 0.0145). The results indicate low retardation coefficients (R) of TCE and PCE; however, somewhat lower values were obtained in batch compared to column experiments. In the column experiments with the presence of both contaminants, TCE influenced sorption of PCE, so that the R values for both compounds were almost two times higher. Non-significant differences in isotope compositions of TCE and PCE measured in the observation points (δ(13)C values within the range of -23.6 ÷ -24.3‰ and -26.3 ÷-27.7‰, respectively) indicate that biodegradation apparently is not an important process contributing to the natural attenuation of these contaminants in the studied sandy aquifer.

  5. Investigating Particle Transport and Fate in the Sacramento–San Joaquin Delta Using a Particle-Tracking Model

    Directory of Open Access Journals (Sweden)

    Wim J. Kimmerer

    2008-02-01

    Full Text Available Movements of pelagic organisms in the tidal freshwater regions of estuaries are sensitive to the movements of water. In the Sacramento-San Joaquin Delta—the tidal freshwater reach of the San Francisco Estuary—such movements are key to losses of fish and other organisms to entrainment in large water-export facilities. We used the Delta Simulation Model-2 hydrodynamic model and its particle tracking model to examine the principal determinants of entrainment losses to the export facilities and how movement of fish through the Delta may be influenced by flow. We modeled 936 scenarios for 74 different conditions of flow, diversions, tides, and removable barriers to address seven questions regarding hydrodynamics and entrainment risk in the Delta. Tide had relatively small effects on fate and residence time of particles. Release location and hydrology interacted to control particle fate and residence time. The ratio of flow into the export facilities to freshwater flow into the Delta (export:inflow or EI ratio was a useful predictor of entrainment probability if the model were allowed to run long enough to resolve particles’ ultimate fate. Agricultural diversions within the Delta increased total entrainment losses and altered local movement patterns. Removable barriers in channels of the southern Delta and gates in the Delta Cross Channel in the northern Delta had minor effects on particles released in the rivers above these channels. A simulation of losses of larval delta smelt showed substantial cumulative losses depending on both inflow and export flow. A simulation mimicking mark–recapture experiments on Chinook salmon smolts suggested that both inflow and export flow may be important factors determining survival of salmon in the upper estuary. To the extent that fish behave passively, this model is probably suitable for describing Delta-wide movement, but it is less suitable for smaller scales or alternative configurations of the Delta.

  6. Low-Rank Kalman Filtering in Subsurface Contaminant Transport Models

    KAUST Repository

    El Gharamti, Mohamad

    2010-12-01

    Understanding the geology and the hydrology of the subsurface is important to model the fluid flow and the behavior of the contaminant. It is essential to have an accurate knowledge of the movement of the contaminants in the porous media in order to track them and later extract them from the aquifer. A two-dimensional flow model is studied and then applied on a linear contaminant transport model in the same porous medium. Because of possible different sources of uncertainties, the deterministic model by itself cannot give exact estimations for the future contaminant state. Incorporating observations in the model can guide it to the true state. This is usually done using the Kalman filter (KF) when the system is linear and the extended Kalman filter (EKF) when the system is nonlinear. To overcome the high computational cost required by the KF, we use the singular evolutive Kalman filter (SEKF) and the singular evolutive extended Kalman filter (SEEKF) approximations of the KF operating with low-rank covariance matrices. The SEKF can be implemented on large dimensional contaminant problems while the usage of the KF is not possible. Experimental results show that with perfect and imperfect models, the low rank filters can provide as much accurate estimates as the full KF but at much less computational cost. Localization can help the filter analysis as long as there are enough neighborhood data to the point being analyzed. Estimating the permeabilities of the aquifer is successfully tackled using both the EKF and the SEEKF.

  7. Low-Rank Kalman Filtering in Subsurface Contaminant Transport Models

    KAUST Repository

    El Gharamti, Mohamad

    2010-01-01

    Understanding the geology and the hydrology of the subsurface is important to model the fluid flow and the behavior of the contaminant. It is essential to have an accurate knowledge of the movement of the contaminants in the porous media in order to track them and later extract them from the aquifer. A two-dimensional flow model is studied and then applied on a linear contaminant transport model in the same porous medium. Because of possible different sources of uncertainties, the deterministic model by itself cannot give exact estimations for the future contaminant state. Incorporating observations in the model can guide it to the true state. This is usually done using the Kalman filter (KF) when the system is linear and the extended Kalman filter (EKF) when the system is nonlinear. To overcome the high computational cost required by the KF, we use the singular evolutive Kalman filter (SEKF) and the singular evolutive extended Kalman filter (SEEKF) approximations of the KF operating with low-rank covariance matrices. The SEKF can be implemented on large dimensional contaminant problems while the usage of the KF is not possible. Experimental results show that with perfect and imperfect models, the low rank filters can provide as much accurate estimates as the full KF but at much less computational cost. Localization can help the filter analysis as long as there are enough neighborhood data to the point being analyzed. Estimating the permeabilities of the aquifer is successfully tackled using both the EKF and the SEEKF.

  8. Fecal bacteria in the rivers of the Seine drainage network (France): sources, fate and modelling.

    Science.gov (United States)

    Servais, Pierre; Garcia-Armisen, Tamara; George, Isabelle; Billen, Gilles

    2007-04-01

    The Seine river watershed (France) is a deeply anthropogenically impacted area, due to the high population density, intense industrial activities and intensive agriculture. The water quality and ecological functioning of the different rivers of the Seine drainage network have been extensively studied during the last fifteen years within the framework of a large French multidisciplinary scientific program (PIREN Seine program). This paper presents a synthesis of the main data gained in the scope of this program concerning the microbiological water contamination of the rivers of the Seine drainage network. The more common indicator of fecal contamination (fecal coliforms) was mainly used; some complementary works used E. coli and intestinal enterococci as alternative fecal indicators. Point sources (outfall of wastewater treatment plants) and non point sources (surface runoff and soil leaching) of fecal pollution to the rivers of the watershed were quantified. Results showed that, at the scale of a large urbanised watershed as the Seine basin, the input of fecal micro-organisms by non-point sources is much lower than the inputs by point sources. However, the local impact of diffuse non-human sources (especially surface runoff of pastured fields) can be of major importance on the microbiological quality of small headwater rivers. Fecal contamination of the main rivers of the Seine watershed (Seine, Marne, Oise rivers) was studied showing high level of microbiological pollution when compared to European guidelines for bathing waters. The strong negative impact of treated wastewater effluents outfall on the microbiological quality of receiving rivers was observed in different areas of the watershed. Once released in rivers, culturable fecal bacteria disappeared relatively rapidly due to mortality (protozoan grazing, lysis) or loss of culturability induced by stress conditions (sunlight effect, nutrient concentration, temperature). Mortality rates of E. coli were studied

  9. Mathematical modelling of oil spill fate and transport in the marine environment incorporating biodegradation kinetics of oil droplets

    Science.gov (United States)

    Spanoudaki, Katerina

    2016-04-01

    Oil biodegradation by native bacteria is one of the most important natural processes that can attenuate the environmental impacts of marine oil spills. However, very few numerical models of oil spill fate and transport include biodegradation kinetics of spilled oil. Furthermore, in models where biodegradation is included amongst the oil transformation processes simulated, it is mostly represented as a first order decay process neglecting the effect of several important parameters that can limit biodegradation rate, such as oil composition and oil droplets-water interface. To this end, the open source numerical model MEDSKIL-II, which simulates oil spill fate and transport in the marine environment, has been modified to include biodegradation kinetics of oil droplets dispersed in the water column. MEDSLIK-II predicts the transport and weathering of oil spills following a Lagrangian approach for the solution of the advection-diffusion equation. Transport is governed by the 3D sea currents and wave field provided by ocean circulation models. In addition to advective and diffusive displacements, the model simulates several physical and chemical processes that transform the oil (evaporation, emulsification, dispersion in the water column, adhesion to coast). The fate algorithms employed in MEDSLIK-II consider the oil as a uniform substance whose properties change as the slick weathers, an approach that can lead to reduced accuracy, especially in the estimation of oil evaporation and biodegradation. Therefore MEDSLIK-II has been modified by adopting the "pseudo-component" approach for simulating weathering processes. Spilled oil is modelled as a relatively small number of discrete, non-interacting components (pseudo-components). Chemicals in the oil mixture are grouped by physical-chemical properties and the resulting pseudo-component behaves as if it were a single substance with characteristics typical of the chemical group. The fate (evaporation, dispersion

  10. Regional long-term model of radioactivity dispersion and fate in the Northwestern Pacific and adjacent seas: application to the Fukushima Dai-ichi accident

    International Nuclear Information System (INIS)

    Maderich, V.; Bezhenar, R.; Heling, R.; With, G. de; Jung, K.T.; Myoung, J.G.; Cho, Y.-K.; Qiao, F.; Robertson, L.

    2014-01-01

    The compartment model POSEIDON-R was modified and applied to the Northwestern Pacific and adjacent seas to simulate the transport and fate of radioactivity in the period 1945–2010, and to perform a radiological assessment on the releases of radioactivity due to the Fukushima Dai-ichi accident for the period 2011–2040. The model predicts the dispersion of radioactivity in the water column and in sediments, the transfer of radionuclides throughout the marine food web, and subsequent doses to humans due to the consumption of marine products. A generic predictive dynamic food-chain model is used instead of the biological concentration factor (BCF) approach. The radionuclide uptake model for fish has as a central feature the accumulation of radionuclides in the target tissue. The three layer structure of the water column makes it possible to describe the vertical structure of radioactivity in deep waters. In total 175 compartments cover the Northwestern Pacific, the East China and Yellow Seas and the East/Japan Sea. The model was validated from 137 Cs data for the period 1945–2010. Calculated concentrations of 137 Cs in water, bottom sediments and marine organisms in the coastal compartment, before and after the accident, are in close agreement with measurements from the Japanese agencies. The agreement for water is achieved when an additional continuous flux of 3.6 TBq y −1 is used for underground leakage of contaminated water from the Fukushima Dai-ichi NPP, during the three years following the accident. The dynamic food web model predicts that due to the delay of the transfer throughout the food web, the concentration of 137 Cs for piscivorous fishes returns to background level only in 2016. For the year 2011, the calculated individual dose rate for Fukushima Prefecture due to consumption of fishery products is 3.6 μSv y −1 . Following the Fukushima Dai-ichi accident the collective dose due to ingestion of marine products for Japan increased in 2011 by a

  11. Modelling of contaminant release from a uranium mine tailings site

    International Nuclear Information System (INIS)

    Kahnt, Rene; Metschies, Thomas

    2007-01-01

    Available in abstract form only. Full text of publication follows: Uranium mining and milling continuing from the early 1960's until 1990 close to the town of Seelingstaedt in Eastern Germany resulted in 4 tailings impoundments with a total tailings volume of about 105 Mio. m 3 . Leakage from these tailings impoundments enters the underlying aquifers and is discharged into surface water streams. High concentration of salts, uranium and several heavy metals are released from the tailings. At present the tailings impoundments are reshaped and covered. For the identification of suitable remediation options predictions of the contaminant release for different remediation scenarios have to be made. A compartment model representing the tailings impoundments and the surrounding aquifers for the calculation of contaminant release and transport was set up using the software GOLDSIM. This compartment model describes the time dependent hydraulic conditions within the tailings and the surrounding aquifers taking into account hydraulic and geotechnical processes influencing the hydraulic properties of the tailings material. A simple geochemical approach taking into account sorption processes as well as retardation by applying a k d -approach was implemented to describe the contaminant release and transport within the hydraulic system. For uranium as the relevant contaminant the simple approach takes into account additional geochemical conditions influencing the mobility. Alternatively the model approach allows to include the results of detailed geochemical modelling of the individual tailings zones which is than used as source term for the modelling of the contaminant transport in the aquifer and to the receiving streams. (authors)

  12. Modelling remediation options for urban contamination situations

    DEFF Research Database (Denmark)

    Thiessen, K.M.; Andersson, Kasper Grann; Charnock, T.W.

    2009-01-01

    and remedial options enables the evaluation of a variety of situations or alternative recovery strategies in contexts of preparedness or decision-making. At present a number of models and modelling approaches are available for different purposes. This paper summarizes the available modelling approaches...

  13. A compositional multiphase model for groundwater contamination by petroleum products: 2. Numerical solution

    Science.gov (United States)

    Baehr, Arthur L.; Corapcioglu, M. Yavuz

    1987-01-01

    In this paper we develop a numerical solution to equations developed in part 1 (M. Y. Corapcioglu and A. L. Baehr, this issue) to predict the fate of an immiscible organic contaminant such as gasoline in the unsaturated zone subsequent to plume establishment. This solution, obtained by using a finite difference scheme and a method of forward projection to evaluate nonlinear coefficients, provides estimates of the flux of solubilized hydrocarbon constituents to groundwater from the portion of a spill which remains trapped in a soil after routine remedial efforts to recover the product have ceased. The procedure was used to solve the one-dimensional (vertical) form of the system of nonlinear partial differential equations defining the transport for each constituent of the product. Additionally, a homogeneous, isothermal soil with constant water content was assumed. An equilibrium assumption partitions the constituents between air, water, adsorbed, and immiscible phases. Free oxygen transport in the soil was also simulated to provide an upper bound estimate of aerobic biodgradation rates. Results are presented for a hypothetical gasoline consisting of eight groups of hydrocarbon constituents. Rates at which hydrocarbon mass is removed from the soil, entering either the atmosphere or groundwater, or is biodegraded are presented. A significant sensitivity to model parameters, particularly the parameters characterizing diffusive vapor transport, was discovered. We conclude that hydrocarbon solute composition in groundwater beneath a gasoline contaminated soil would be heavily weighted toward aromatic constituents like benzene, toluene, and xylene.

  14. Mathematical Modeling of Fate and Transport of Aqueous Species in Stormflow Entering Infiltration Basin.

    Science.gov (United States)

    Massoudieh, A.; Sengor, S. S.; Meyer, S.; Ginn, T. R.

    2004-12-01

    The State of California is evaluating the role of passive stormwater detention facilities for the purpose of attenuating potential dissolved and suspended chemical species that may originate in roadway runoff of rainfall. The engineering design of such infiltration basins requires tools to quantify their performance as recipients of stormwater runoff from roadways, and as filters of aqueous chemical species. For this purpose a one-dimensional unsaturated flow and transport model is developed to estimate the efficiency of storm-water infiltration basins in treating roadway generated metallic and organic pollutants. Kinematic wave approximation is used along with van Genuchten water retention model to simulate water percolation thorough the infiltration basin. For metals a Langmuir type nonlinear competitive sorption isotherm is used for transport of chemicals and a kinetic reversible linear sorption model is considered for organics. The model is applied to known roadway born metallic contaminations such as copper, zinc, lead, chromium, nickel and cadmium, as well as organic species such as diazinon, diuron, ghlyphosate and pyrene, for several representative soil and precipitation condition for California within a period of five years. Representative soil parameters and precipitation patterns are extracted from frequency distributions extracted from a recent study. In addition sensitivity analysis has been done to evaluate the effect of soil property values on the performance of infiltration basins. The results can be used to evaluate the performance of infiltration basins in improving the water quality as well as being used in providing guidelines in design and maintenance of infiltration basins.

  15. Effective dielectric mixture model for characterization of diesel contaminated soil

    International Nuclear Information System (INIS)

    Al-Mattarneh, H.M.A.

    2007-01-01

    Human exposure to contaminated soil by diesel isomers can have serious health consequences like neurological diseases or cancer. The potential of dielectric measuring techniques for electromagnetic characterization of contaminated soils was investigated in this paper. The purpose of the research was to develop an empirical dielectric mixture model for soil hydrocarbon contamination application. The paper described the basic theory and elaborated in dielectric mixture theory. The analytical and empirical models were explained in simple algebraic formulas. The experimental study was then described with reference to materials, properties and experimental results. The results of the analytical models were also mathematically explained. The proposed semi-empirical model was also presented. According to the result of the electromagnetic properties of dry soil contaminated with diesel, the diesel presence had no significant effect on the electromagnetic properties of dry soil. It was concluded that diesel had no contribution to the soil electrical conductivity, which confirmed the nonconductive character of diesel. The results of diesel-contaminated soil at saturation condition indicated that both dielectric constant and loss factors of soil were decreased with increasing diesel content. 15 refs., 2 tabs., 9 figs

  16. Fuzzy One-Class Classification Model Using Contamination Neighborhoods

    Directory of Open Access Journals (Sweden)

    Lev V. Utkin

    2012-01-01

    Full Text Available A fuzzy classification model is studied in the paper. It is based on the contaminated (robust model which produces fuzzy expected risk measures characterizing classification errors. Optimal classification parameters of the models are derived by minimizing the fuzzy expected risk. It is shown that an algorithm for computing the classification parameters is reduced to a set of standard support vector machine tasks with weighted data points. Experimental results with synthetic data illustrate the proposed fuzzy model.

  17. Sediment and toxic contaminant transport modeling in coastal waters

    International Nuclear Information System (INIS)

    Onishi, Yasuo; Mayer, D.W.; Argo, R.S.

    1982-01-01

    Models are presented to estimate the migration of toxic contaminants in coastal waters. Ocean current is simulated by the vertically-averaged, finite element, two-demensional model known as CAFE-I with the Galerkin weighted residual technique. The refraction of locally generated waves or swells is simulated by the wave refraction model, LO3D. Using computed current, depth, and wave characteristics, the finite element model, FETRA, simulated sediment and contaminant transport in coastal waters, estuaries and rivers. Prior to the application of these models to the Irish Sea and other coastal waters, the finite element model, FETRA, was tested to demonstrate its ability to simulate sediment and contaminant interaction, and the mechanism governing the transport, deposition, and resuspension of contaminated sediment. Several simple equations such as the unsteady, advection-diffusion equation, the equation for noncohesive-sediment load due to wind-induced waves in offshore and surf zones, and the equation for sediment-radionuclide transport simulation were solved during the preliminary testing of the model. (Kato, T.)

  18. Simulation of the fate of faecal bacteria in estuarine and coastal waters based on a fractionated sediment transport model

    Science.gov (United States)

    Yang, Chen; Liu, Ying

    2017-08-01

    A two-dimensional depth-integrated numerical model is refined in this paper to simulate the hydrodynamics, graded sediment transport process and the fate of faecal bacteria in estuarine and coastal waters. The sediment mixture is divided into several fractions according to the grain size. A bed evolution model is adopted to simulate the processes of the bed elevation change and sediment grain size sorting. The faecal bacteria transport equation includes enhanced source and sink terms to represent bacterial kinetic transformation and disappearance or reappearance due to sediment deposition or re-suspension. A novel partition ratio and dynamic decay rates of faecal bacteria are adopted in the numerical model. The model has been applied to the turbid water environment in the Bristol Channel and Severn estuary, UK. The predictions by the present model are compared with field data and those by non-fractionated model.

  19. A transport and fate model of C-14 in a bay of the Baltic Sea at SFR. Today and in future

    International Nuclear Information System (INIS)

    Kumblad, L.

    2001-06-01

    The environmental transport and fate of a hypothetical release of radioactive carbon-14 from SFR-1 (the final repository for radioactive operational waste) was investigated using an ecosystem modelling approach. The approach involved identification, quantification and dynamic modelling of the main flows and storages of carbon both in the physical environment and in the food web. Carbon-14 was in the model introduced into the food web via photosynthesising organisms. Contamination of the aquatic ecosystem above SFR-1 was then assessed assuming a release of 5.13 x 10 7 Bq/year for 1,000 years. Modelling results were used to estimate steady-state C-14 concentrations in biota, exposure (Gy) of biota and dose (Sv) to humans consuming contaminated organisms both if the discharge occurred today (2000 AD)and if it occurred in the future (4000 AD). Since the modelled area is characterised by a fast water exchange, most of the discharged C-14 was flushed out of the system more or less immediately (99.8% and 98.4% at 2000 AD and 4000 AD, respectively). However, a small fraction of the discharge was assimilated by primary producers (0.18% and 2.11%), which enabled subsequent transfer of C-14 to organisms at higher trophic levels (e.g. fish, seals and humans). The exported C-14 from the area was diluted to very low concentrations in the large recipient outside. Estimated exposures were very low, and differed significantly among the studied biota (17.2 x 10 -12 to 2.3 x 10 -6 Gy). In general the highest exposures were observed in benthic plants and benthic grazers followed by fish and benthos. Humans consuming large quantities of locally produced food (e.g.fish, mussels and algae) will receive an exposure in case of C-14 contamination. Estimated doses to humans were approximately 10-100 nSv per year, which is significantly lower than restrictions by the authorities. The developed model was also used to evaluate implications of various assumptions concerning the route of C-14

  20. A transport and fate model of C-14 in a bay of the Baltic Sea at SFR. Today and in future

    Energy Technology Data Exchange (ETDEWEB)

    Kumblad, L. [Stockholm Univ. (Sweden). Dept. of Systems Ecology

    2001-06-01

    The environmental transport and fate of a hypothetical release of radioactive carbon-14 from SFR-1 (the final repository for radioactive operational waste) was investigated using an ecosystem modelling approach. The approach involved identification, quantification and dynamic modelling of the main flows and storages of carbon both in the physical environment and in the food web. Carbon-14 was in the model introduced into the food web via photosynthesising organisms. Contamination of the aquatic ecosystem above SFR-1 was then assessed assuming a release of 5.13 x 10{sup 7} Bq/year for 1,000 years. Modelling results were used to estimate steady-state C-14 concentrations in biota, exposure (Gy) of biota and dose (Sv) to humans consuming contaminated organisms both if the discharge occurred today (2000 AD)and if it occurred in the future (4000 AD). Since the modelled area is characterised by a fast water exchange, most of the discharged C-14 was flushed out of the system more or less immediately (99.8% and 98.4% at 2000 AD and 4000 AD, respectively). However, a small fraction of the discharge was assimilated by primary producers (0.18% and 2.11%), which enabled subsequent transfer of C-14 to organisms at higher trophic levels (e.g. fish, seals and humans). The exported C-14 from the area was diluted to very low concentrations in the large recipient outside. Estimated exposures were very low, and differed significantly among the studied biota (17.2 x 10{sup -12} to 2.3 x 10{sup -6} Gy). In general the highest exposures were observed in benthic plants and benthic grazers followed by fish and benthos. Humans consuming large quantities of locally produced food (e.g.fish, mussels and algae) will receive an exposure in case of C-14 contamination. Estimated doses to humans were approximately 10-100 nSv per year, which is significantly lower than restrictions by the authorities. The developed model was also used to evaluate implications of various assumptions concerning the

  1. Modelling contaminant transport in saturated aquifers

    International Nuclear Information System (INIS)

    Lakshminarayana, V.; Nayak, T.R.

    1990-01-01

    With the increase in population and industrialization the problem of pollution of groundwater has become critical. The present study deals with modelling of pollutant transport through saturated aquifers. Using this model it is possible to predict the concentration distribution, spatial as well as temporal, in the aquifer. The paper also deals with one of the methods of controlling the pollutant movement, namely by pumping wells. A simulation model is developed to determine the number, location and rate of pumping of a number of wells near the source of pollution so that the concentration is within acceptable limits at the point of interest. (Author) (18 refs., 14 figs., tab.)

  2. A model for dispersion of contaminants in the subway environment

    Energy Technology Data Exchange (ETDEWEB)

    Coke, L. R.; Sanchez, J. G.; Policastro, A. J.

    2000-05-03

    Although subway ventilation has been studied extensively, very little has been published on dispersion of contaminants in the subway environment. This paper presents a model that predicts dispersion of contaminants in a complex subway system. It accounts for the combined transient effects of train motion, station airflows, train car air exchange rates, and source release properties. Results are presented for a range of typical subway scenarios. The effects of train piston action and train car air exchange are discussed. The model could also be applied to analyze the environmental impact of hazardous materials releases such as chemical and biological agents.

  3. A hybrid mathematical modeling approach of the metabolic fate of a fluorescent sphingolipid analogue to predict cancer chemosensitivity.

    Science.gov (United States)

    Molina-Mora, J A; Kop-Montero, M; Quirós-Fernández, I; Quiros, S; Crespo-Mariño, J L; Mora-Rodríguez, R A

    2018-04-13

    Sphingolipid (SL) metabolism is a complex biological system that produces and transforms ceramides and other molecules able to modulate other cellular processes, including survival or death pathways key to cell fate decisions. This signaling pathway integrates several types of stress signals, including chemotherapy, into changes in the activity of its metabolic enzymes, altering thereby the cellular composition of bioactive SLs. Therefore, the SL pathway is a promising sensor of chemosensitivity in cancer and a target hub to overcome resistance. However, there is still a gap in our understanding of how chemotherapeutic drugs can disturb the SL pathway in order to control cellular fate. We propose to bridge this gap by a systems biology approach to integrate i) a dynamic model of SL analogue (BODIPY-FL fluorescent-sphingomyelin analogue, SM-BOD) metabolism, ii) a Gaussian mixture model (GMM) of the fluorescence features to identify how the SL pathway senses the effect of chemotherapy and iii) a fuzzy logic model (FLM) to associate SL composition with cell viability by semi-quantitative rules. Altogether, this hybrid model approach was able to predict the cell viability of double experimental perturbations with chemotherapy, indicating that the SL pathway is a promising sensor to design strategies to overcome drug resistance in cancer. Copyright © 2018 Elsevier Ltd. All rights reserved.

  4. Fate of acetone in an outdoor model stream with a nitrate supplement, southern Mississippi, U.S.A.

    Science.gov (United States)

    Rathbun, R.E.; Stephens, D.W.; Tai, D.Y.

    1991-01-01

    The fate of acetone in an outdoor model stream to which nitrate was added as a nutrient supplement was determined. The stream, in southern Mississippi, U.S.A. was 234 m long. Water was supplied to the stream by an artesian well at about 1.21 s-1, resulting in a mean water velocity of about 0.5 m min-1. Acetone was injected continuously for 26 days resulting in concentrations of 20-40 mg l-1. A nitrate solution was injected for 21 days resulting in an instream concentration of about 1.7 mg l-1 at the upstream end of the stream. Rhodamine-WT dye was used to determine the travel time and dispersion characteristics of the stream, and t-butyl alcohol was used to determine the volatilization characteristics. Volatilization controlled the fate of acetone in the model stream. The lack of substantial bacterial degradation of acetone was contrary to expectations based on the results of laboratory degradation studies using model stream water enriched with nitrate. A possible explanation for the lack of significant degradation in the model stream may be the limited 6-h residence time of the acetone in the stream. ?? 1991.

  5. Fate of Gases generated from Nuclear Wastes

    Energy Technology Data Exchange (ETDEWEB)

    Srinivasulu, M.; Francis, A. J. [Pohang Univ. of Science and Technology, Pohang (Korea, Republic of); Francis, A. J. [Brookhaven National Laboratory, New York (United States)

    2013-05-15

    The backfill materials such as cement, bentonite or crushed rock are used as engineered barriers against groundwater infiltration and radionuclide transport. Gas generation from radioactive wastes is attributed to radiolysis, corrosion of metals, and degradation of organic materials. Corrosion of steel drums and biodegradation of organic materials in L/ILW can generate gas which causes pressure build up and has the potential to compromise the integrity of waste containers and release the radionuclides and other contaminants into the environment. Performance assessment therefore requires a detailed understanding of the source and fate of gas generation and transport within the disposal system. Here we review the sources and fate of various type of gases generated from nuclear wastes and repositories. Studies on modeling of the fate and transport of repository gases primarily deal with hydrogen and CO{sub 2}. Although hydrogen and carbon dioxide are the major gases of concern, microbial transformations of these gases in the subterranean environments could be significant. Metabolism of hydrogen along with the carbon dioxide results in the formation of methane, low molecular weight organic compounds and cell biomass and thus could affect the total inventory in a repository environment. Modeling studies should take into consideration of both the gas generation and consumption processes over the long-term.

  6. A model library for dynamic transport and fate of micropollutants in integrated urban wastewater and stormwater systems

    DEFF Research Database (Denmark)

    Vezzaro, Luca; Benedetti, Lorenzo; Gevaert, Veerle

    2014-01-01

    by using substance inherent properties, following an approach commonly used in large-scale MP multimedia fate and transport models. The chosen level of complexity ensures a low data requirement and minimizes the need for field measurements. Next to a synthesis of model applications, a didactic example......The increasing efforts in reducing the emission of micropollutants (MP) into the natural aquatic environment require the development of modelling tools to support the decision making process. This article presents a library of dynamic modelling tools for estimating MP fluxes within Integrated Urban...... Wastewater and Stormwater system (IUWS – including drainage network, stormwater treatment units, wastewater treatment plants, sludge treatment, and the receiving water body). The models are developed by considering the high temporal variability of the processes taking place in the IUWS, providing a basis...

  7. Pathogen Transport and Fate Modeling in the Upper Salem River Watershed Using SWAT Model

    Science.gov (United States)

    SWAT (Soil and Water Assessment Tool) is a dynamic watershed model that is applied to simulate the impact of land management practices on water quality over a continuous period. The Upper Salem River, located in Salem County New Jersey, is listed by the New Jersey Department of ...

  8. Radiative transfer model for contaminated rough slabs.

    Science.gov (United States)

    Andrieu, François; Douté, Sylvain; Schmidt, Frédéric; Schmitt, Bernard

    2015-11-01

    We present a semi-analytical model to simulate the bidirectional reflectance distribution function (BRDF) of a rough slab layer containing impurities. This model has been optimized for fast computation in order to analyze massive hyperspectral data by a Bayesian approach. We designed it for planetary surface ice studies but it could be used for other purposes. It estimates the bidirectional reflectance of a rough slab of material containing inclusions, overlaying an optically thick media (semi-infinite media or stratified media, for instance granular material). The inclusions are assumed to be close to spherical and constituted of any type of material other than the ice matrix. It can be any other type of ice, mineral, or even bubbles defined by their optical constants. We assume a low roughness and we consider the geometrical optics conditions. This model is thus applicable for inclusions larger than the considered wavelength. The scattering on the inclusions is assumed to be isotropic. This model has a fast computation implementation and thus is suitable for high-resolution hyperspectral data analysis.

  9. Models for transport and fate of carbon, nutrients and point source released radionuclides to an aquatic ecosystem

    Energy Technology Data Exchange (ETDEWEB)

    Kumblad, Linda [Stockholm Univ. (Sweden). Dept. of Systems Ecology; Kautsky, Ulrik [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden)

    2004-09-01

    In this report three ecosystem models are described in terms of structure, initial data, and results. All models are dynamic, mass-balanced and describe the transport and fate of elements in an open aquatic ecosystem. The models are based on ecologically sound principles, provide model results with high resolution and transparency, and are constrained by the nutrient dynamics of the ecosystem itself. The processes driving the transport in all the models are both the biological processes such as primary production, consumption, respiration and excretion, and abiotic e.g. water exchange and air-sea exchange. The first model, the CNP-model, describes the distribution and fluxes of carbon and nutrients for the coastal ecosystem off Forsmark. The second model, the C-14 model, is an extension of the CNP-model and describes the transport and distribution of hypothetically released C-14 from the underground repository SFR-1 to the ecosystem above. The third model, the RN-model, is a generic radionuclide flow model that models the transport and distribution of radionuclides other than C-14 hypothetically discharged to the ecosystem. The model also analyses the importance of some radionuclide specific mechanisms for the radionuclide flow. The generic radionuclide model is also based on the CNP-model, but has radionuclide specific mechanisms connected to each compartment.

  10. Models for transport and fate of carbon, nutrients and point source released radionuclides to an aquatic ecosystem

    International Nuclear Information System (INIS)

    Kumblad, Linda

    2004-09-01

    In this report three ecosystem models are described in terms of structure, initial data, and results. All models are dynamic, mass-balanced and describe the transport and fate of elements in an open aquatic ecosystem. The models are based on ecologically sound principles, provide model results with high resolution and transparency, and are constrained by the nutrient dynamics of the ecosystem itself. The processes driving the transport in all the models are both the biological processes such as primary production, consumption, respiration and excretion, and abiotic e.g. water exchange and air-sea exchange. The first model, the CNP-model, describes the distribution and fluxes of carbon and nutrients for the coastal ecosystem off Forsmark. The second model, the C-14 model, is an extension of the CNP-model and describes the transport and distribution of hypothetically released C-14 from the underground repository SFR-1 to the ecosystem above. The third model, the RN-model, is a generic radionuclide flow model that models the transport and distribution of radionuclides other than C-14 hypothetically discharged to the ecosystem. The model also analyses the importance of some radionuclide specific mechanisms for the radionuclide flow. The generic radionuclide model is also based on the CNP-model, but has radionuclide specific mechanisms connected to each compartment

  11. Simulation-based model checking approach to cell fate specification during Caenorhabditis elegans vulval development by hybrid functional Petri net with extension

    Directory of Open Access Journals (Sweden)

    Ueno Kazuko

    2009-04-01

    Full Text Available Abstract Background Model checking approaches were applied to biological pathway validations around 2003. Recently, Fisher et al. have proved the importance of model checking approach by inferring new regulation of signaling crosstalk in C. elegans and confirming the regulation with biological experiments. They took a discrete and state-based approach to explore all possible states of the system underlying vulval precursor cell (VPC fate specification for desired properties. However, since both discrete and continuous features appear to be an indispensable part of biological processes, it is more appropriate to use quantitative models to capture the dynamics of biological systems. Our key motivation of this paper is to establish a quantitative methodology to model and analyze in silico models incorporating the use of model checking approach. Results A novel method of modeling and simulating biological systems with the use of model checking approach is proposed based on hybrid functional Petri net with extension (HFPNe as the framework dealing with both discrete and continuous events. Firstly, we construct a quantitative VPC fate model with 1761 components by using HFPNe. Secondly, we employ two major biological fate determination rules – Rule I and Rule II – to VPC fate model. We then conduct 10,000 simulations for each of 48 sets of different genotypes, investigate variations of cell fate patterns under each genotype, and validate the two rules by comparing three simulation targets consisting of fate patterns obtained from in silico and in vivo experiments. In particular, an evaluation was successfully done by using our VPC fate model to investigate one target derived from biological experiments involving hybrid lineage observations. However, the understandings of hybrid lineages are hard to make on a discrete model because the hybrid lineage occurs when the system comes close to certain thresholds as discussed by Sternberg and Horvitz in

  12. Modelling the Fate of Ionizable Trace Organic Chemicals from Consumption to Food Crops

    DEFF Research Database (Denmark)

    Polesel, Fabio; Plósz, Benedek G.; Trapp, Stefan

    In this study, we developed and applied a simulation tool to comprehensively predict the fate of three ionizable trace chemicals (triclosan—TCS, furosemide—FUR, ciprofloxacin—CIP) from human consumption/excretion up to the accumulation in wheat, following application of sewage sludge or irrigation...... with river water. Highest translocation to wheat (4.3 μg kgDW-1 in grain) was calculated for FUR, being more significant with irrigation (>45% of emission to soil) than with sludge application (

  13. Fate of polycyclic aromatic hydrocarbons from the North Pacific to the Arctic: Field measurements and fugacity model simulation.

    Science.gov (United States)

    Ke, Hongwei; Chen, Mian; Liu, Mengyang; Chen, Meng; Duan, Mengshan; Huang, Peng; Hong, Jiajun; Lin, Yan; Cheng, Shayen; Wang, Xuran; Huang, Mengxue; Cai, Minggang

    2017-10-01

    Polycyclic aromatic hydrocarbons (PAHs) have accumulated ubiquitously inArctic environments, where re-volatilization of certain organic pollutants as a result of climate change has been observed. To investigate the fate of semivolatile organic compounds in the Arctic, dissolved PAHs in the surface seawaters from the temperate Pacific Ocean to the Arctic Ocean, as well as a water column in the Arctic Ocean, were collected during the 4th Chinese National Arctic Research Expedition in summer 2010. The total concentrations of seven dissolved PAHs in surface water ranged from 1.0 to 5.1 ng L -1 , decreasing with increasing latitude. The vertical profile of PAHs in the Arctic Ocean was generally characteristic of surface enrichment and depth depletion, which emphasized the role of vertical water stratification and particle settling processes. A level III fugacity model was developed in the Bering Sea under steady state assumption. Model results quantitatively simulated the transfer processes and fate of PAHs in the air and water compartments, and highlighted a summer air-to-sea flux of PAHs in the Bering Sea, which meant that the ocean served as a sink for PAHs, at least in summer. Acenaphthylene and acenaphthene reached equilibrium in air-water diffusive exchange, and any perturbation, such as a rise in temperature, might lead to disequilibrium and remobilize these compounds from their Arctic reservoirs. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. A Coupled model for ERT monitoring of contaminated sites

    Science.gov (United States)

    Wang, Yuling; Zhang, Bo; Gong, Shulan; Xu, Ya

    2018-02-01

    The performance of electrical resistivity tomography (ERT) system is usually investigated using a fixed resistivity distribution model in numerical simulation study. In this paper, a method to construct a time-varying resistivity model by coupling water transport, solute transport and constant current field is proposed for ERT monitoring of contaminated sites. Using the proposed method, a monitoring model is constructed for a contaminated site with a pollution region on the surface and ERT monitoring results at different time is calculated by the finite element method. The results show that ERT monitoring profiles can effectively reflect the increase of the pollution area caused by the diffusion of pollutants, but the extent of the pollution is not exactly the same as the actual situation. The model can be extended to any other case and can be used to scheme design and results analysis for ERT monitoring.

  15. General dosimetry model for internal contamination with radioisotopes

    International Nuclear Information System (INIS)

    Nino, L.

    1989-01-01

    Radiation dose by inner contamination with radioisotopes is not measured directly but evaluated by the application of mathematical models of fixation and elimination, taken into account biological activity of each organ with respect to the incorporated material. Models proposed by ICRP for the respiratory and gastrointestinal tracts (30) seems that they should not be applied independently because of the evident correlation between them. In this paper both models are integrated in a more general one with neither modification nor limitation of the starting models. It has been applied to some patients in the Instituto Nacional de Cancerologia, who received some I-131 dose via oral and results are quite similar to dose experimentally obtained via urine spectrograms. Based on this results the method was formalized and applied to professional exposed personnel of the medical staff at the same Institute; due to high doses found in some of the urine samples, probable I-131 air contamination could be supposed

  16. Fate of chemical warfare agents and toxic industrial chemicals in landfills.

    Science.gov (United States)

    Bartelt-Hunt, Shannon L; Barlaz, Morton A; Knappe, Detlef R U; Kjeldsen, Peter

    2006-07-01

    One component of preparedness for a chemical attack is planning for the disposal of contaminated debris. To assess the feasibility of contaminated debris disposal in municipal solid waste (MSW) landfills, the fate of selected chemical warfare agents (CWAs) and toxic industrial chemicals (TICs) in MSW landfills was predicted with a mathematical model. Five blister agents [sulfur mustard (HD), nitrogen mustard (HN-2), lewisite (L), ethyldichloroarsine (ED), and phosgene oxime (CX)], eight nerve agents [tabun (GA), sarin (GB), soman (GD), GE, GF, VX, VG, and VM], one riot-control agent [CS], and two TICs [furan and carbon disulfide] were studied. The effects of both infiltration (climate) and contaminant biodegradability on fate predictions were assessed. Model results showed that hydrolysis and gas-phase advection were the principal fate pathways for CWAs and TICs, respectively. Apart from CX and the TICs, none of the investigated compounds was predicted to persist in a landfill for more than 5 years. Climate had little impact on CWA/TIC fate, and biodegradability was only important for compounds with long hydrolysis half-lives. Monte Carlo simulations were performed to assess the influence of uncertainty in model input parameters on CWA/TIC fate predictions. Correlation analyses showed that uncertainty in hydrolysis rate constants was the primary contributor to variance of CWA fate predictions, while uncertainty in the Henry's Law constant and landfill gas-production rate accounted for most of the variance of TIC fate predictions. CWA hydrolysates were more persistent than the parent CWAs, but limited information is available on abiotic or biotic transformation rates for these chemicals.

  17. Survey and discussion of models applicable to the transport and fate thrust area of the Department of Energy Chemical and Biological Nonproliferation Program

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-09-01

    The availability and easy production of toxic chemical and biological agents by domestic and international terrorists pose a serious threat to US national security, especially to civilian populations in and around urban areas. To address this threat, the Department of Energy (DOE) has established the Chemical and Biological Nonproliferation Program (CBNP) with the goal of focusing the DOE`s technical resources and expertise on capabilities to deny, deter, mitigate and respond to clandestine releases of chemical and biological agents. With the intent to build on DOE core competencies, the DOE has established six technology thrust areas within the CBNP Program: Biological Information Resources; Point Sensor Systems; Stand-off Detection; Transport and Fate; Decontamination; and Systems Analysis and Integration. The purpose of the Transport and Fate Thrust is to accurately predict the dispersion, concentration and ultimate fate of chemical and biological agents released into the urban and suburban environments and has two major goals: (1) to develop an integrated and validated state-of-the-art atmospheric transport and fate modeling capability for chemical and biological agent releases within the complex urban environment from the regional scale down to building and subway interiors, and (2) to apply this modeling capability in a broad range of simulation case studies of chemical and biological agent release scenarios in suburban, urban and confined (buildings and subways) environments and provide analysis for the incident response user community. Sections of this report discuss subway transport and fate models; buildings interior transport and fate modeling; models for flow and transport around buildings; and local-regional meteorology and dispersion models.

  18. Modeling Fate and Transport of Rotavirus in Surface Flow by Integrating WEPP and a Pathogen Transport Model

    Science.gov (United States)

    Bhattarai, R.; Kalita, P. K.; Davidson, P. C.; Kuhlenschmidt, M. S.

    2012-12-01

    More than 3.5 million people die each year from a water related diseases in this world. Every 20 seconds, a child dies from a water-related illness. Even in a developed country like the United States, there have been at least 1870 outbreaks associated with drinking water during the period of 1920 to 2002, causing 883,806 illnesses. Most of these outbreaks are resulted due to the presence of microbial pathogens in drinking water. Rotavirus infection has been recognized as the most common cause of diarrhea in young children throughout the world. Laboratory experiments conducted at the University of Illinois have demonstrated that recovery of rotavirus has been significantly affected by climatic and soil-surface conditions like slope, soil types, and ground cover. The objective of this study is to simulate the fate and transport of Rotavirus in overland and near-surface flow using a process-based model. In order to capture the dynamics of sediment-bound pathogens, the Water Erosion Prediction Project (WEPP) is coupled with the pathogen transport model. Transport of pathogens in overland flow can be simulated mathematically by including terms for the concentration of the pathogens in the liquid phase (in suspension or free-floating) and the solid phase (adsorbed to the fine solid particles like clay and silt). Advection, adsorption, and decay processes are considered. The mass balance equations are solved using numerical technique to predict spatial and temporal changes in pathogen concentrations in two phases. Outputs from WEPP simulations (flow velocity, depth, saturated conductivity and the soil particle fraction exiting in flow) are transferred as input for the pathogen transport model. Three soil types and three different surface cover conditions have been used in the experimental investigations. Results from these conditions have been used in calibrating and validating the simulation results. Bare surface conditions have produced very good agreement between

  19. CSOIL 2000 an exposure model for human risk assessment of soil contamination. A model description

    NARCIS (Netherlands)

    Brand E; Otte PF; Lijzen JPA; LER

    2007-01-01

    This RIVM description of the CSOIL 2000 model deals, for the first time, with all aspects of the model. CSOIL 2000 can be used to derive intervention values. Intervention values are calculated for contaminated soil and represent a measure for determining when contaminated soil needs to be

  20. Predictions by the multimedia environmental fate model SimpleBox compared to field data: Intermedia concentration ratios of two phthalate esters

    NARCIS (Netherlands)

    Struijs J; Peijnenburg WJGM; ECO

    2003-01-01

    The multimedia environmental fate model SimpleBox is applied to compute steady-state concentration ratios with the aim to harmonize environmetal quality objectives of air, water, sediment and soil. In 1995 the Dutch Health Council recommended validation of the model. Several activities were

  1. SimpleTreat: a spreadsheet-based box model to predict the fate of xenobiotics in a municipal waste water treatment plant

    NARCIS (Netherlands)

    Struijs J; van de Meent D; Stoltenkamp J

    1991-01-01

    A non-equilibrium steady state box model is reported, that predicts the fate of new chemicals in a conventional sewage treatment plant from a minimal input data set. The model, written in an electronic spreadsheet (Lotus TM 123), requires a minimum input: some basic properties of the chemical, its

  2. Fate of polybrominated diphenyl ethers during cooking of fish in a new model cooking apparatus and a household microwave.

    Science.gov (United States)

    Bendig, Paul; Hägele, Florian; Blumenstein, Marina; Schmidt, Jasmin; Vetter, Walter

    2013-07-10

    Fish is a major source of human exposure to polybrominated diphenyl ethers (PBDEs). Because fish is mainly consumed after cooking, this measure may alter the pattern and amounts of PBDEs that are finally consumed. To investigate this issue, we developed a model cooking apparatus consisting of a small glass bowl and a beaker glass with an exhaust fitted with a polyurethane foam filter connected to a water jet pump. In this model cooking apparatus, fish (1 g) and/or sunflower oil (0.2/0.4 g) spiked with three PBDE congeners was cooked for 30 min. Small amounts of the semi-volatile PBDEs were evaporated from the fish (BDE-47 cooking apparatus proved to be well-suited to study the fate of polyhalogenated compounds in fish during cooking.

  3. Stable Isotopes of Dissolved Nitrate and Boron as Indicators of the Origin and Fate of Nitrate Contamination in Groundwater. Results from the Western Po Plain (Northern Italy)

    Energy Technology Data Exchange (ETDEWEB)

    Sacchi, E. [Dipartimento di Scienze della Terra e dell' Ambiente, Universita di Pavia (Italy); Istituto di Geoscienze e Georisorse, CNR, Pavia (Italy); Delconte, C. A. [Istituto di Geoscienze e Georisorse, CNR (Italy); Dipartimento di Scienze della Terra e dell' Ambiente, Universita di Pavia (Italy); Pennisi, M. [Istituto di Geoscienze e Georisorse, CNR, Pisa (Italy); Allais, E. [ISO4 s.n.c., Torino (Italy)

    2013-07-15

    Stable isotopes of dissolved nitrates and boron represent a powerful tool, complementary to existing monitoring data, enabling the identification of nitrate sources, the assessment of their relative contribution to nitrate pollution and the quantification of nitrate transport and removal processes. This contribution aims to present groundwater isotope data obtained in an area of 15 000 km{sup 2} of the western Po plain. Nitrate isotope data show that synthetic fertilisers and anthropogenic organic matter are the main sources of contamination. {delta}{sup 11}B allows the discrimination between manure derived and sewage derived contamination. Results indicate that even in agricultural areas, contamination from sewage exists. Samples from the suburban area of Milan, where sewage was considered the most likely source of contamination, show instead a {delta}{sup 11}B typical for cattle manure. This study demonstrates that the attribution of the contamination to a source based solely on present-day land use may lead to inappropriate conclusions. (author)

  4. Simplified model for radioactive contaminant transport: the TRANSS code

    International Nuclear Information System (INIS)

    Simmons, C.S.; Kincaid, C.T.; Reisenauer, A.E.

    1986-09-01

    A simplified ground-water transport model called TRANSS was devised to estimate the rate of migration of a decaying radionuclide that is subject to sorption governed by a linear isotherm. Transport is modeled as a contaminant mass transmitted along a collection of streamlines constituting a streamtube, which connects a source release zone with an environmental arrival zone. The probability-weighted contaminant arrival distribution along each streamline is represented by an analytical solution of the one-dimensional advection-dispersion equation with constant velocity and dispersion coefficient. The appropriate effective constant velocity for each streamline is based on the exact travel time required to traverse a streamline with a known length. An assumption used in the model to facilitate the mathematical simplification is that transverse dispersion within a streamtube is negligible. Release of contaminant from a source is described in terms of a fraction-remaining curve provided as input information. However, an option included in the code is the calculation of a fraction-remaining curve based on four specialized release models: (1) constant release rate, (2) solubility-controlled release, (3) adsorption-controlled release, and (4) diffusion-controlled release from beneath an infiltration barrier. To apply the code, a user supplies only a certain minimal number of parameters: a probability-weighted list of travel times for streamlines, a local-scale dispersion coefficient, a sorption distribution coefficient, total initial radionuclide inventory, radioactive half-life, a release model choice, and size dimensions of the source. The code is intended to provide scoping estimates of contaminant transport and does not predict the evolution of a concentration distribution in a ground-water flow field. Moreover, the required travel times along streamlines must be obtained from a prior ground-water flow simulation

  5. A generic model of contaminant migration from uranium tailings impoundments

    International Nuclear Information System (INIS)

    Shepherd, T.A.; Brown, S.E.

    1982-01-01

    This paper presents an analytical hydrogeochemical model based upon acid consumption-neutralization front movement. The development of contaminant plumes is discussed and distinct zones within these plumes are identified and characterized. The most important process influencing the rate and extent of contaminant migration at acid-leach uranium tailings impoundments is the neutralization of seepage water by soils along ground water flow paths. The chemical characteristics of the ground water is determined in order to identify and characterize zones within migrating plumes of tailings-derived water. It is concluded that the characterization of specific zones is useful in the interpretation of existing conditions, in the evaluation of future migration, and in the determination of appropriate models for the specific situation

  6. Differential local tissue permissiveness influences the final fate of GPR17-expressing oligodendrocyte precursors in two distinct models of demyelination.

    Science.gov (United States)

    Coppolino, Giusy T; Marangon, Davide; Negri, Camilla; Menichetti, Gianluca; Fumagalli, Marta; Gelosa, Paolo; Dimou, Leda; Furlan, Roberto; Lecca, Davide; Abbracchio, Maria P

    2018-05-01

    Promoting remyelination is recognized as a novel strategy to foster repair in neurodegenerative demyelinating diseases, such as multiple sclerosis. In this respect, the receptor GPR17, recently emerged as a new target for remyelination, is expressed by early oligodendrocyte precursors (OPCs) and after a certain differentiation stage it has to be downregulated to allow progression to mature myelinating oligodendrocytes. Here, we took advantage of the first inducible GPR17 reporter mouse line (GPR17-iCreER T2 xCAG-eGFP mice) allowing to follow the final fate of GPR17 + cells by tamoxifen-induced GFP-labeling to unveil the destiny of these cells in two demyelination models: experimental autoimmune encephalomyelitis (EAE), characterized by marked immune cell activation and inflammation, and cuprizone induced demyelination, where myelin dysfunction is achieved by a toxic insult. In both models, demyelination induced a strong increase of fluorescent GFP + cells at damaged areas. However, only in the cuprizone model reacting GFP + cells terminally differentiated to mature oligodendrocytes, thus contributing to remyelination. In EAE, GFP + cells were blocked at immature stages and never became myelinating oligodendrocytes. We suggest these strikingly distinct fates be due to different permissiveness of the local CNS environment. Based on previously reported GPR17 activation by emergency signals (e.g., Stromal Derived Factor-1), we propose that a marked inflammatory milieu, such as that reproduced in EAE, induces GPR17 overactivation resulting in impaired downregulation, untimely and prolonged permanence in OPCs, leading, in turn, to differentiation blockade. Combined treatments with remyelinating agents and anti-inflammatory drugs may represent new potential adequate strategies to halt neurodegeneration and foster recovery. © 2018 The Authors GLIA Published by Wiley Periodicals, Inc.

  7. Modeling fates and impacts for bio-economic analysis of hypothetical oil spill scenarios in San Francisco Bay

    International Nuclear Information System (INIS)

    French McCay, D.; Whittier, N.; Sankaranarayanan, S.; Jennings, J.; Etkin, D.S.

    2002-01-01

    The oil spill risks associated with four submerged rock pinnacles near Alcatraz Island in San Francisco Bay are being evaluated by the United States Army Corps of Engineers. Oil spill modeling has been conducted for a hypothetical oil spill to determine biological impacts, damages to natural resources and response costs. The scenarios are hypothetical vessel grounding on the pinnacles. The SIMAP modeling software by the Applied Science Associates was used to model 3 spill sizes (20, 50 and 95 percentile by volume) and 4 types of oil (gasoline, diesel, heavy fuel oil, and crude oil). The frequency distribution of oil fates and impacts was determined by first running each scenario in stochastic mode. The oil fates and biological effects of the spills were the focus of this paper. It was shown that diesel and crude oil spills would have greater impacts in the water column than heavy fuel or gasoline because gasoline is more volatile and less toxic and because heavy oil spills would be small in volume. It was determined that the major impacts and damage to birds would be low due to the high dilution potential of the bay. It was also noted that dispersants would be very effective in reducing impacts on wildlife and the shoreline. These results are being used to evaluate the cost-benefit analysis of removing the rocks versus the risk of an oil spill. The work demonstrates a statistically quantifiable method to estimate potential impacts that could be used in ecological risk assessment and cost-benefit analysis. 15 refs., 13 tabs., 11 figs

  8. Discriminative Random Field Models for Subsurface Contamination Uncertainty Quantification

    Science.gov (United States)

    Arshadi, M.; Abriola, L. M.; Miller, E. L.; De Paolis Kaluza, C.

    2017-12-01

    Application of flow and transport simulators for prediction of the release, entrapment, and persistence of dense non-aqueous phase liquids (DNAPLs) and associated contaminant plumes is a computationally intensive process that requires specification of a large number of material properties and hydrologic/chemical parameters. Given its computational burden, this direct simulation approach is particularly ill-suited for quantifying both the expected performance and uncertainty associated with candidate remediation strategies under real field conditions. Prediction uncertainties primarily arise from limited information about contaminant mass distributions, as well as the spatial distribution of subsurface hydrologic properties. Application of direct simulation to quantify uncertainty would, thus, typically require simulating multiphase flow and transport for a large number of permeability and release scenarios to collect statistics associated with remedial effectiveness, a computationally prohibitive process. The primary objective of this work is to develop and demonstrate a methodology that employs measured field data to produce equi-probable stochastic representations of a subsurface source zone that capture the spatial distribution and uncertainty associated with key features that control remediation performance (i.e., permeability and contamination mass). Here we employ probabilistic models known as discriminative random fields (DRFs) to synthesize stochastic realizations of initial mass distributions consistent with known, and typically limited, site characterization data. Using a limited number of full scale simulations as training data, a statistical model is developed for predicting the distribution of contaminant mass (e.g., DNAPL saturation and aqueous concentration) across a heterogeneous domain. Monte-Carlo sampling methods are then employed, in conjunction with the trained statistical model, to generate realizations conditioned on measured borehole data

  9. Benchmarking of a Markov multizone model of contaminant transport.

    Science.gov (United States)

    Jones, Rachael M; Nicas, Mark

    2014-10-01

    A Markov chain model previously applied to the simulation of advection and diffusion process of gaseous contaminants is extended to three-dimensional transport of particulates in indoor environments. The model framework and assumptions are described. The performance of the Markov model is benchmarked against simple conventional models of contaminant transport. The Markov model is able to replicate elutriation predictions of particle deposition with distance from a point source, and the stirred settling of respirable particles. Comparisons with turbulent eddy diffusion models indicate that the Markov model exhibits numerical diffusion in the first seconds after release, but over time accurately predicts mean lateral dispersion. The Markov model exhibits some instability with grid length aspect when turbulence is incorporated by way of the turbulent diffusion coefficient, and advection is present. However, the magnitude of prediction error may be tolerable for some applications and can be avoided by incorporating turbulence by way of fluctuating velocity (e.g. turbulence intensity). © The Author 2014. Published by Oxford University Press on behalf of the British Occupational Hygiene Society.

  10. Kinetic model for the dosimetry of radiopharmaceuticals contaminated by Mo-99

    International Nuclear Information System (INIS)

    Shearer, D.R.; Pezzullo, J.C.

    1986-01-01

    Radiopharmaceuticals tagged with Tc-99m may become contaminated with breakthrough products from the Mo-99/Tc-99m generator. If a fraction of the contaminant becomes bound to the radiopharmaceutical, the dose to the radiopharmaceutical target organ from the contaminant must be considered. The dose to the contaminant target organ may then be calculated as the sum of the doses from a) the initially unbound contaminant, and b) the contaminant later released by degradation of the radiopharmaceutical. This paper presents a model which takes the above processes into account. The model is illustrated with clinical data derived from Mo-99 contaminated radiopharmaceuticals. 5 references, 2 figures, 6 tables

  11. Low-rank Kalman filtering for efficient state estimation of subsurface advective contaminant transport models

    KAUST Repository

    El Gharamti, Mohamad; Hoteit, Ibrahim; Sun, Shuyu

    2012-01-01

    Accurate knowledge of the movement of contaminants in porous media is essential to track their trajectory and later extract them from the aquifer. A two-dimensional flow model is implemented and then applied on a linear contaminant transport model

  12. Modeling the fate of p,p'-DDT in water and sediment of two typical estuarine bays in South China: Importance of fishing vessels' inputs.

    Science.gov (United States)

    Fang, Shu-Ming; Zhang, Xianming; Bao, Lian-Jun; Zeng, Eddy Y

    2016-05-01

    Antifouling paint applied to fishing vessels is the primary source of dichloro-diphenyl-trichloroethane (DDT) to the coastal marine environments of China. With the aim to provide science-based support of potential regulations on DDT use in antifouling paint, we utilized a fugacity-based model to evaluate the fate and impact of p,p'-DDT, the dominant component of DDT mixture, in Daya Bay and Hailing Bay, two typical estuarine bays in South China. The emissions of p,p'-DDT from fishing vessels to the aquatic environments of Hailing Bay and Daya Bay were estimated as 9.3 and 7.7 kg yr(-1), respectively. Uncertainty analysis indicated that the temporal variability of p,p'-DDT was well described by the model if fishing vessels were considered as the only direct source, i.e., fishing vessels should be the dominant source of p,p'-DDT in coastal bay areas of China. Estimated hazard quotients indicated that sediment in Hailing Bay posed high risk to the aquatic system, and it would take at least 21 years to reduce the hazards to a safe level. Moreover, p,p'-DDT tends to migrate from water to sediment in the entire Hailing Bay and Daya Bay. On the other hand, our previous research indicated that p,p'-DDT was more likely to migrate from sediment to water in the maricultured zones located in shallow waters of these two bays, where fishing vessels frequently remain. These findings suggest that relocating mariculture zones to deeper waters would reduce the likelihood of farmed fish contamination by p,p'-DDT. Copyright © 2016 Elsevier Ltd. All rights reserved.

  13. Single-cell RNA-seq and computational analysis using temporal mixture modelling resolves Th1/Tfh fate bifurcation in malaria.

    Science.gov (United States)

    Lönnberg, Tapio; Svensson, Valentine; James, Kylie R; Fernandez-Ruiz, Daniel; Sebina, Ismail; Montandon, Ruddy; Soon, Megan S F; Fogg, Lily G; Nair, Arya Sheela; Liligeto, Urijah; Stubbington, Michael J T; Ly, Lam-Ha; Bagger, Frederik Otzen; Zwiessele, Max; Lawrence, Neil D; Souza-Fonseca-Guimaraes, Fernando; Bunn, Patrick T; Engwerda, Christian R; Heath, William R; Billker, Oliver; Stegle, Oliver; Haque, Ashraful; Teichmann, Sarah A

    2017-03-03

    Differentiation of naïve CD4 + T cells into functionally distinct T helper subsets is crucial for the orchestration of immune responses. Due to extensive heterogeneity and multiple overlapping transcriptional programs in differentiating T cell populations, this process has remained a challenge for systematic dissection in vivo . By using single-cell transcriptomics and computational analysis using a temporal mixtures of Gaussian processes model, termed GPfates, we reconstructed the developmental trajectories of Th1 and Tfh cells during blood-stage Plasmodium infection in mice. By tracking clonality using endogenous TCR sequences, we first demonstrated that Th1/Tfh bifurcation had occurred at both population and single-clone levels. Next, we identified genes whose expression was associated with Th1 or Tfh fates, and demonstrated a T-cell intrinsic role for Galectin-1 in supporting a Th1 differentiation. We also revealed the close molecular relationship between Th1 and IL-10-producing Tr1 cells in this infection. Th1 and Tfh fates emerged from a highly proliferative precursor that upregulated aerobic glycolysis and accelerated cell cycling as cytokine expression began. Dynamic gene expression of chemokine receptors around bifurcation predicted roles for cell-cell in driving Th1/Tfh fates. In particular, we found that precursor Th cells were coached towards a Th1 but not a Tfh fate by inflammatory monocytes. Thus, by integrating genomic and computational approaches, our study has provided two unique resources, a database www.PlasmoTH.org, which facilitates discovery of novel factors controlling Th1/Tfh fate commitment, and more generally, GPfates, a modelling framework for characterizing cell differentiation towards multiple fates.

  14. Exploring the fate, transport and risk of Perfluorooctane Sulfonate (PFOS) in a coastal region of China using a multimedia model.

    Science.gov (United States)

    Liu, Shijie; Lu, Yonglong; Xie, Shuangwei; Wang, Tieyu; Jones, Kevin C; Sweetman, Andrew J

    2015-12-01

    Perfluorooctane Sulfonate (PFOS) and related substances have been widely applied in both industrial processes and domestic products in China. Exploring the environmental fate and transport of PFOS using modeling methods provides an important link between emission and multimedia diffusion which forms a vital part in the human health risk assessment and chemical management for these substances. In this study, the gridded fugacity based BETR model was modified to make it more suitable to model transfer processes of PFOS in a coastal region, including changes to PFOS partition coefficients to reflect the influence of water salinity on its sorption behavior. The fate and transport of PFOS in the Bohai coastal region of China were simulated under steady state with the modified version of the model. Spatially distributed emissions of PFOS and related substances in 2010 were estimated and used in these simulations. Four different emission scenarios were investigated, in which a range of half-lives for PFOS related substances were considered. Concentrations of PFOS in air, vegetation, soil, fresh water, fresh water sediment and coastal water were derived from the model under the steady-state assumption. The median modeled PFOS concentrations in fresh water, fresh water sediment and soil were 7.20ng/L, 0.39ng/g and 0.21ng/g, respectively, under Emission Scenario 2 (which assumed all PFOS related substances immediately degrade to PFOS) for the whole region, while the maximum concentrations were 47.10ng/L, 4.98ng/g and 2.49ng/g, respectively. Measured concentration data for PFOS in the Bohai coastal region around the year of 2010 were collected from the literature. The reliability of the model results was evaluated by comparing the range of modeled concentrations with the measured data, which generally matched well for the main compartments. Fate and transfer fluxes were derived from the model based on the calculated inventory within the compartments, transfer fluxes between

  15. A deterministic-probabilistic model for contaminant transport. User manual

    Energy Technology Data Exchange (ETDEWEB)

    Schwartz, F W; Crowe, A

    1980-08-01

    This manual describes a deterministic-probabilistic contaminant transport (DPCT) computer model designed to simulate mass transfer by ground-water movement in a vertical section of the earth's crust. The model can account for convection, dispersion, radioactive decay, and cation exchange for a single component. A velocity is calculated from the convective transport of the ground water for each reference particle in the modeled region; dispersion is accounted for in the particle motion by adding a readorn component to the deterministic motion. The model is sufficiently general to enable the user to specify virtually any type of water table or geologic configuration, and a variety of boundary conditions. A major emphasis in the model development has been placed on making the model simple to use, and information provided in the User Manual will permit changes to the computer code to be made relatively easily for those that might be required for specific applications. (author)

  16. Modelling contaminant transport using site specific data from Vaalputs

    International Nuclear Information System (INIS)

    Botha, J.F.

    1986-01-01

    The transport of a contaminant through the upper layers of the earth's surface is a complex phenomenon. To develop a model for this, requires a good understanding of the physical nature of the phenomenon. This paper discusses two difficulties frequently encountered in developing such a model - the nature of the subsurface and the mathematical representation of the unsaturated hydraulic parameters. It is proposed that information obtained from pump- and packer tests be used to circumvent the first difficulty, and that the unsaturated flow parameters be approximated by C -∞ continuous function

  17. Contaminant plume configuration and movement: an experimental model

    Science.gov (United States)

    Alencoao, A.; Reis, A.; Pereira, M. G.; Liberato, M. L. R.; Caramelo, L.; Amraoui, M.; Amorim, V.

    2009-04-01

    The relevance of Science and Technology in our daily routines makes it compulsory to educate citizens who have both scientific literacy and scientific knowledge. These will allow them to be intervening citizens in a constantly changing society. Thus, physical and natural sciences are included in school curricula, both in primary and secondary education, with the fundamental aim of developing in the students the skills, attitudes and knowledge needed for the understanding of the planet Earth and its real problems. On the other hand, teaching in Geosciences is more and more based on practical methodologies which use didactic material, sustaining teachers' pedagogical practices and facilitating students' learning tasks suggested on the syllabus defined for each school level. Themes related to exploring the different components of the Hydrological Cycle and themes related to natural environment protection and preservation, namely water resources and soil contamination by industrial and urban sewage are examples of subject matters included on the Portuguese syllabus. These topics motivated the conception and construction of experimental models for the study of the propagation of pollutants on a porous medium. The experimental models allow inducing a horizontal flux of water though different kinds of permeable substances (e.g. sand, silt), with contamination spots on its surface. These experimental activities facilitate the student to understand the flow path of contaminating substances on the saturated zone and to observe the contaminant plume configuration and movement. The activities are explored in a teaching and learning process perspective where the student builds its own knowledge through real question- problem based learning which relate Science, Technology and Society. These activities have been developed in the framework of project ‘Water in the Environment' (CV/PVI/0854) of the POCTI Program (Programa Operacional "Ciência, Tecnologia, Inovação") financed

  18. Distributions of typical contaminant species in urban short-term storm runoff and their fates during rain events: a case of Xiamen City.

    Science.gov (United States)

    Wei, Qunshan; Zhu, Gefu; Wu, Peng; Cui, Li; Zhang, Kaisong; Zhou, Jingjing; Zhang, Wenru

    2010-01-01

    The pollutants in urban storm runoff, which lead to an non-point source contamination of water environment around cities, are of great concerns. The distributions of typical contaminants and the variations of their species in short term storm runoff from different land surfaces in Xiamen City were investigated. The concentrations of various contaminants, including organic matter, nutrients (i.e., N and P) and heavy metals, were significantly higher in parking lot and road runoff than those in roof and lawn runoff. The early runoff samples from traffic road and parking lot contained much high total nitrogen (TN 6-19 mg/L) and total phosphorus (TP 1-3 mg/L). A large proportion (around 60%) of TN existed as total dissolved nitrogen (TDN) species in most runoff. The percentage of TDN and the percentage of total dissolved phosphorus remained relatively stable during the rain events and did not decrease as dramatically as TN and TP. In addition, only parking lot and road runoff were contaminated by heavy metals, and both Pb (25-120 microg/L) and Zn (0.1-1.2 mg/L) were major heavy metals contaminating both runoff. Soluble Pb and Zn were predominantly existed as labile complex species (50%-99%), which may be adsorbed onto the surfaces of suspended particles and could be easily released out when pH decreased. This would have the great impact to the environment.

  19. Modelling of uranium inputs and its fate in soil; Modellierung von Uraneintraegen aus Duengern und ihr Verbleib im Boden

    Energy Technology Data Exchange (ETDEWEB)

    Achatz, M. [Bundesamt fuer Strahlenschutz, Berlin (Germany); Urso, L. [Bundesamt fuer Strahlenschutz, Oberschleissheim (Germany)

    2016-07-01

    87 % of mineral phosphate fertilizers are produced of sedimentary rock phosphate, which generally contains heavy metals, like uranium. The solution and migration behavior of uranium is apart from its redox ratio, determined by its pH conditions as well as its ligand quality and quantity. A further important role in sorption is played by soil components like clay minerals, pedogenic oxides and soil organic matter. To provide a preferably detailed speciation model of U in soil several physical and chemical components have to be included to be able to state distribution coefficients (k{sub D}) and sorption processes. The model of Hormann and Fischer served as the basis of modelling uranium mobility in soil by using the program PhreeqC. The usage of real soil and soil water measurements may contribute to identify factors and processes influencing the mobility of uranium under preferably realistic conditions. Additionally, the assessment of further predictions towards uranium migration in soil can be made based on a modelling with PhreeqC. The modelling of uranium inputs and its fate in soil can help to elucidate the human caused occurrence or geogenic origin of uranium in soil.

  20. Evaluating the environmental fate of pharmaceuticals using a level III model based on poly-parameter linear free energy relationships

    International Nuclear Information System (INIS)

    Zukowska, Barbara; Breivik, Knut; Wania, Frank

    2006-01-01

    We recently proposed how to expand the applicability of multimedia models towards polar organic chemicals by expressing environmental phase partitioning with the help of poly-parameter linear free energy relationships (PP-LFERs). Here we elaborate on this approach by applying it to three pharmaceutical substances. A PP-LFER-based version of a Level III fugacity model calculates overall persistence, concentrations and intermedia fluxes of polar and non-polar organic chemicals between air, water, soil and sediments at steady-state. Illustrative modeling results for the pharmaceuticals within a defined coastal region are presented and discussed. The model results are highly sensitive to the degradation rate in water and the equilibrium partitioning between organic carbon and water, suggesting that an accurate description of this particular partitioning equilibrium is essential in order to obtain reliable predictions of environmental fate. The PP-LFER based modeling approach furthermore illustrates that the greatest mobility in aqueous phases may be experienced by pharmaceuticals that combines a small molecular size with strong H-acceptor properties

  1. Evaluating the environmental fate of pharmaceuticals using a level III model based on poly-parameter linear free energy relationships

    Energy Technology Data Exchange (ETDEWEB)

    Zukowska, Barbara [Department of Analytical Chemistry, Chemical Faculty, Gdansk University of Technology, 11/12 G. Narutowicza St., 80-952 Gdansk (Poland); Breivik, Knut [NILU- Norwegian Institute for Air Research, P.O. Box 100, NO-2027 Kjeller (Norway)]. E-mail: knut.breivik@nilu.no; Wania, Frank [Department of Physical and Environmental Sciences, University of Toronto at Scarborough, 1265 Military Trail, Scarborough, Ontario, M1C 1A4 (Canada)

    2006-04-15

    We recently proposed how to expand the applicability of multimedia models towards polar organic chemicals by expressing environmental phase partitioning with the help of poly-parameter linear free energy relationships (PP-LFERs). Here we elaborate on this approach by applying it to three pharmaceutical substances. A PP-LFER-based version of a Level III fugacity model calculates overall persistence, concentrations and intermedia fluxes of polar and non-polar organic chemicals between air, water, soil and sediments at steady-state. Illustrative modeling results for the pharmaceuticals within a defined coastal region are presented and discussed. The model results are highly sensitive to the degradation rate in water and the equilibrium partitioning between organic carbon and water, suggesting that an accurate description of this particular partitioning equilibrium is essential in order to obtain reliable predictions of environmental fate. The PP-LFER based modeling approach furthermore illustrates that the greatest mobility in aqueous phases may be experienced by pharmaceuticals that combines a small molecular size with strong H-acceptor properties.

  2. Summer nitrogenous nutrient transport and its fate in the Taiwan Strait: A coupled physical-biological modeling approach

    Science.gov (United States)

    Wang, Jia; Hong, Huasheng; Jiang, Yuwu; Chai, Fei; Yan, Xiao-Hai

    2013-09-01

    In order to understand the fate of nutrients in the Taiwan Strait during summer, we built a coupled physical-biological numerical ocean model, which can capture the basic hydrographic and biological features within the strait. The nutrient that we chose to model is dissolved inorganic nitrogen (DIN). The model includes individual reservoirs for nitrate (NO3) and ammonium (NH4). Both the observational evidence and model results show that NO3 in the strait originates primarily from the upwelling subsurface water in the northern South China Sea (SCS) that enters the strait via the eastern and western routes separated by the Taiwan Bank. The coupled physical and biological effects on the NO3 transport at these two routes are highlighted in the study. For the western route, the shallow topography and the coastal upwelling intensify the biological uptake of NO3 in the whole water column. Consequently, the nitrogenous contribution by this route is mainly in form of the particulate organic nitrogen (PON). In contrast, NO3 is transported conservatively below the nitricline at the deep eastern route, contributing the whole NO3 supply in the TWS. The model estimates the fluxes of DIN and PON into the TWS, from the northern SCS, are 1.8 and 4 kmol s-1, respectively. Over half (˜1 kmol s-1) of the DIN is synthesized into PON by the phytoplankton in the strait. Overall, this study estimates the physical and biological effects on the nutrient transport in the TWS during summer.

  3. Development and evaluation of the bacterial fate and transport module for the Agricultural Policy/Environmental eXtender (APEX) model.

    Science.gov (United States)

    Hong, Eun-Mi; Park, Yongeun; Muirhead, Richard; Jeong, Jaehak; Pachepsky, Yakov A

    2018-02-15

    The Agricultural Policy/Environmental eXtender (APEX) is a watershed-scale water quality model that includes detailed representation of agricultural management. The objective of this work was to develop a process-based model for simulating the fate and transport of manure-borne bacteria on land and in streams with the APEX model. The bacteria model utilizes manure erosion rates to estimate the amount of edge-of-field bacteria export. Bacteria survival in manure is simulated as a two-stage process separately for each manure application event. In-stream microbial fate and transport processes include bacteria release from streambeds due to sediment resuspension during high flow events, active release from the streambed sediment during low flow periods, bacteria settling with sediment, and survival. Default parameter values were selected from published databases and evaluated based on field observations. The APEX model with the newly developed microbial fate and transport module was applied to simulate fate and transport of the fecal indicator bacterium Escherichia coli in the Toenepi watershed, New Zealand that was monitored for seven years. The stream network of the watershed ran through grazing lands with daily bovine waste deposition. Results show that the APEX with the bacteria module reproduced well the monitored pattern of E. coli concentrations at the watershed outlet. The APEX with the microbial fate and transport module will be utilized for predicting microbial quality of water as affected by various agricultural practices, evaluating monitoring protocols, and supporting the selection of management practices based on regulations that rely on fecal indicator bacteria concentrations. Published by Elsevier B.V.

  4. Modeling the fate and end-of-life phase of engineered nanomaterials in the Japanese construction sector.

    Science.gov (United States)

    Suzuki, Shinya; Part, Florian; Matsufuji, Yasushi; Huber-Humer, Marion

    2018-02-01

    To date construction materials that contain engineered nanomaterials (ENMs) are available at the markets, but at the same time very little is known about their environmental fate. Therefore, this study aimed at modeling the potential fate of ENMs by using the example of the Japanese construction sector and by conducting a dynamic material flow analysis. Expert interviews and national reports revealed that about 3920-4660 tons of ENMs are annually used for construction materials in Japan. Nanoscale TiO 2 , SiO 2 , Al 2 O 3 and carbon black have already been applied for decades to wall paints, road markings or concrete. The dynamic material flow model indicates that in 2016 about 95% of ENMs, which have been used since their year of market penetration, remained in buildings, whereas only 5% ended up in the Japanese waste management system or were diffusely released into the environment. Considering the current Japanese waste management system, ENMs were predicted to end up in recycled materials (40-47%) or in landfills (36-41%). It was estimated that only a small proportion was used in agriculture (5-7%, as ENM-containing sewage sludges) or was diffusely released into soils, surface waters or the atmosphere (5-19%). The results indicate that ENM release predominantly depend on their specific applications and characteristics. The model also highlights the importance of adequate collection and treatment of ENM-containing wastes. In future, similar dynamic flow models for other countries should consider, inasmuch as available, historical data on ENM production (e.g. like declaration reports that are annually published by relevant public authorities or associations), as such input data is very important regarding data reliability in order to decrease uncertainties and to continuously improve model accuracy. In addition, more environmental monitoring studies that aim at the quantification of ENM release and inadvertent transfer, particularly triggered by waste treatment

  5. Phytovolatilization of Organic Contaminants.

    Science.gov (United States)

    Limmer, Matt; Burken, Joel

    2016-07-05

    Plants can interact with a variety of organic compounds, and thereby affect the fate and transport of many environmental contaminants. Volatile organic compounds may be volatilized from stems or leaves (direct phytovolatilization) or from soil due to plant root activities (indirect phytovolatilization). Fluxes of contaminants volatilizing from plants are important across scales ranging from local contaminant spills to global fluxes of methane emanating from ecosystems biochemically reducing organic carbon. In this article past studies are reviewed to clearly differentiate between direct- and indirect-phytovolatilization and we discuss the plant physiology driving phytovolatilization in different ecosystems. Current measurement techniques are also described, including common difficulties in experimental design. We also discuss reports of phytovolatilization in the literature, finding that compounds with low octanol-air partitioning coefficients are more likely to be phytovolatilized (log KOA < 5). Reports of direct phytovolatilization at field sites compare favorably to model predictions. Finally, future research needs are presented that could better quantify phytovolatilization fluxes at field scale.

  6. Experimental and modelling studies of radionuclide migration from contaminated groundwaters

    International Nuclear Information System (INIS)

    Tompkins, J. A.; Butler, A. P.; Wheater, H. S.; Shaw, G.; Wadey, P.; Bell, J. N. B.

    1994-01-01

    Lysimeter-based studies of radionuclide uptake by winter wheat are being undertaken to investigate soil-to-plant transfer processes. A five year multi-disciplinary research project has concentrated on the upward migration of contaminants from near surface water-tables and their subsequent uptake by a winter wheat crop. A weighted transfer factor approach and a physically based modelling methodology, for the simulation and prediction of radionuclide uptake, have been developed which offer alternatives to the traditional transfer factor approach. Integrated hydrological and solute transport models are used to simulate contaminant movement and subsequent root uptake. This approach enables prediction of radionuclide transport for a wide range of soil, plant and radionuclide types. This paper presents simulated results of 22 Na plant uptake and soil activity profiles, which are verified with respect to lysimeter data. The results demonstrate that a simple modelling approach can describe the variability in radioactivity in both the harvested crop and the soil profile, without recourse to a large number of empirical parameters. The proposed modelling technique should be readily applicable to a range of scales and conditions, since it embodies an understanding of the underlying physical processes of the system. This work constitutes part of an ongoing research programme being undertaken by UK Nirex Ltd., to assess the long term safety of a deep level repository for low and intermediate level nuclear waste. (author)

  7. Regional long-term model of radioactivity dispersion and fate in the Northwestern Pacific and adjacent seas: application to the Fukushima Dai-ichi accident.

    Science.gov (United States)

    Maderich, V; Bezhenar, R; Heling, R; de With, G; Jung, K T; Myoung, J G; Cho, Y-K; Qiao, F; Robertson, L

    2014-05-01

    The compartment model POSEIDON-R was modified and applied to the Northwestern Pacific and adjacent seas to simulate the transport and fate of radioactivity in the period 1945-2010, and to perform a radiological assessment on the releases of radioactivity due to the Fukushima Dai-ichi accident for the period 2011-2040. The model predicts the dispersion of radioactivity in the water column and in sediments, the transfer of radionuclides throughout the marine food web, and subsequent doses to humans due to the consumption of marine products. A generic predictive dynamic food-chain model is used instead of the biological concentration factor (BCF) approach. The radionuclide uptake model for fish has as a central feature the accumulation of radionuclides in the target tissue. The three layer structure of the water column makes it possible to describe the vertical structure of radioactivity in deep waters. In total 175 compartments cover the Northwestern Pacific, the East China and Yellow Seas and the East/Japan Sea. The model was validated from (137)Cs data for the period 1945-2010. Calculated concentrations of (137)Cs in water, bottom sediments and marine organisms in the coastal compartment, before and after the accident, are in close agreement with measurements from the Japanese agencies. The agreement for water is achieved when an additional continuous flux of 3.6 TBq y(-1) is used for underground leakage of contaminated water from the Fukushima Dai-ichi NPP, during the three years following the accident. The dynamic food web model predicts that due to the delay of the transfer throughout the food web, the concentration of (137)Cs for piscivorous fishes returns to background level only in 2016. For the year 2011, the calculated individual dose rate for Fukushima Prefecture due to consumption of fishery products is 3.6 μSv y(-1). Following the Fukushima Dai-ichi accident the collective dose due to ingestion of marine products for Japan increased in 2011 by a

  8. Monitoring and modeling the fate of commonly used pesticides in surface water of the Lower Mekong Delta

    Science.gov (United States)

    van Toan, Pham; Sebesvari, Zita; Loan, Vo Phuong Hong; Renaud, Fabrice

    2010-05-01

    Introduction: The Lower Mekong Delta, one of the largest agricultural areas in Southeast Asia, has been reported to be increasingly polluted by agrochemicals since the beginning of the transformation processes in Vietnamese economy and specifically in the agricultural sector in 1986 (MRCS, 2007; Dasgupta et al., 2005; Dung, 2003; Phuong, 2003). Although pesticides have contributed significantly to enhancing agricultural productivity, these agrochemicals also have created risks to human health and environment (Margni, 2001; Phuong, 2003; Dasgupta et al., 2005) and lead to value loss of water resources (Phuong, 2003). While prohibited persistent organic pollutants such as HCHs and DDTs, were monitored and still detected in the Lower Mekong Delta in recent studies (Minh et al., 2007, Carvalho et al., 2008) little data exist on water pollution by recently used pesticides in the Delta. Aiming to fill this information gap, a study comprising three components was set up at two study sites of the Delta. Pesticide use and management was investigated through surveys and participatory rural appraisals with farmers; pesticide residue concentrations were determined in field outflows, connected irrigation canals and in drinking water and finally pesticide fate was predicted by using a coupled MIKE 11/ MIKE SHE model. This abstract focuses on the work done in the field of pesticide monitoring. The western study site (An Long Commune, Dong Thap province) represented an agricultural pattern with two intensive paddy rice crops per year and was heavily affected by flood in the rainy season. The second site located in the central part of the Delta (Ba Lang ward, Can Tho City) was characterized by a mix of paddy rice, vegetables and fruit trees. Fifteen pesticide compounds (buprofezin, butachlor, cypermethrin, difenozonazol, α-endosulfan, β-endosulfan, endosulfan-sulfate, fenobucarb, fipronil, hexaconazol, isoprothiolane, pretilachlor, profenofos, propanil, and propiconazol) were

  9. Modeling Fate and Transport of Fecal Coliform Bacteria Using SWAT 2005 (Case Study: Jajrood River Watershed, Iran)

    Science.gov (United States)

    Maghrebi, M.; Tajrishy, M.

    2010-12-01

    Jajrood River watershed is one of the main drinking water resources of the capital city of Tehran, Iran. In addition it has been available as many recreational usages especially in the warm months. As a result of being located near one of the crowded cities of the world, a variety of microbial pollutions is commonly perceived in the Jajrood River. Among them, there are strong concerns about fecal coliform bacteria concentration. This article aimed to model fate and transport of fecal coliform bacteria in Jajrood River watershed using Soil and Water Assessment Tool (SWAT) model version 2005. Potential pollutant sources in the study area were detected and quantified for modeling purposes. In spite of being lack of knowledge about bacteria die-off rate in small river bodies, as well as in other watershed-based forms, fecal coliform bacteria die-off rates were estimated using both laboratory and field data investigations with some simplifications. The SWAT model was calibrated over an extended time period (1997-2002) for this watershed. The river flow calibrated using SUFI-2 software and resulted in a very good outputs (R2=0.82, E=0.81). Furthermore SWAT model was validated over January 2003 to September 2005 in the study area and has resulted in good outputs (R2=0.61, E=0.57). This research illustrates SWAT 2005 capability to model fecal coliform bacteria in a populated watershed, and deals with most of watershed microbial pollution sources that are usually observed in developing countries. Fecal coliform concentration simulation results were mostly in the same order in comparison with real data. However, Differences were judged to be related to lack of input data. In this article different aspects of SWAT capabilities for modeling of fecal coliform bacteria concentration will be reviewed and it will present new insights in bacteria modeling procedures especially for mountainous, high populated and small sized watersheds.

  10. Prediction of overall persistence and long-range transport potential with multimedia fate models: robustness and sensitivity of results

    International Nuclear Information System (INIS)

    Fenner, Kathrin; Scheringer, Martin; Hungerbuehler, Konrad

    2004-01-01

    The hazard indicators persistence (P) and long-range transport potential (LRTP) are used in chemicals assessment to characterize chemicals with regard to the temporal and spatial extent of their environmental exposure. They are often calculated based on the results of multimedia fate models. The environmental and substance-specific input parameters of such models are subject to a range of methodological uncertainties and also influenced by natural variability. We employed probabilistic uncertainty analysis to quantify variance in P and LRTP predictions for chemicals with different partitioning and transport behavior. Variance found in the results is so large that it prevents a clear distinction between chemicals. Additionally, only small improvements are observed when evaluating the results relative to a benchmark chemical. This can be explained by the dominance of substance-specific parameters and the only small direct influence of environmental parameters on P and LRTP as model outcomes. The findings underline the importance of learning how environmental conditions cause variability in substance behavior for improved substance ranking and classification. - Environmental conditions cause variability in substance behavior which need to be considered in chemical ranking schemes

  11. Modeling reveals bistability and low-pass filtering in the network module determining blood stem cell fate.

    Directory of Open Access Journals (Sweden)

    Jatin Narula

    2010-05-01

    Full Text Available Combinatorial regulation of gene expression is ubiquitous in eukaryotes with multiple inputs converging on regulatory control elements. The dynamic properties of these elements determine the functionality of genetic networks regulating differentiation and development. Here we propose a method to quantitatively characterize the regulatory output of distant enhancers with a biophysical approach that recursively determines free energies of protein-protein and protein-DNA interactions from experimental analysis of transcriptional reporter libraries. We apply this method to model the Scl-Gata2-Fli1 triad-a network module important for cell fate specification of hematopoietic stem cells. We show that this triad module is inherently bistable with irreversible transitions in response to physiologically relevant signals such as Notch, Bmp4 and Gata1 and we use the model to predict the sensitivity of the network to mutations. We also show that the triad acts as a low-pass filter by switching between steady states only in response to signals that persist for longer than a minimum duration threshold. We have found that the auto-regulation loops connecting the slow-degrading Scl to Gata2 and Fli1 are crucial for this low-pass filtering property. Taken together our analysis not only reveals new insights into hematopoietic stem cell regulatory network functionality but also provides a novel and widely applicable strategy to incorporate experimental measurements into dynamical network models.

  12. Fate of nine recycled water trace organic contaminants and metal(loid)s during managed aquifer recharge into a anaerobic aquifer: Column studies.

    Science.gov (United States)

    Patterson, B M; Shackleton, M; Furness, A J; Pearce, J; Descourvieres, C; Linge, K L; Busetti, F; Spadek, T

    2010-03-01

    Water quality changes associated with the passage of aerobic reverse osmosis (RO) treated recycled water through a deep anaerobic pyritic aquifer system was evaluated in sediment-filled laboratory columns as part of a managed aquifer recharge (MAR) strategy. The fate of nine recycled water trace organic compounds along with potential negative water quality changes such as the release of metal(loid)s were investigated in large-scale columns over a period of 12 months. The anaerobic geochemical conditions provided a suitable environment for denitrification, and rapid (half-life 100 days). High retardation coefficients (R) determined for many of the trace organics (R 13 to 67) would increase aquifer residence time and be beneficial for many of the slow degrading compounds. However, for the trace organics with low R values (1.1-2.6) and slow degradation rates (half-life > 100 days), such as N-nitrosodimethylamine, N-nitrosomorpholine and iohexol, substantial biodegradation during aquifer passage may not occur and additional investigations are required. Only minor transient increases in some metal(loid) concentrations were observed, as a result of either pyrite oxidation, mineral dissolution or pH induced metal desorption, followed by metal re-sorption downgradient in the oxygen depleted zone. Crown Copyright 2009. Published by Elsevier Ltd. All rights reserved.

  13. Effects of natural and human factors on groundwater quality of basin-fill aquifers in the southwestern United States-conceptual models for selected contaminants

    Science.gov (United States)

    Bexfield, Laura M.; Thiros, Susan A.; Anning, David W.; Huntington, Jena M.; McKinney, Tim S.

    2011-01-01

    As part of the U.S. Geological Survey National Water-Quality Assessment (NAWQA) Program, the Southwest Principal Aquifers (SWPA) study is building a better understanding of the factors that affect water quality in basin-fill aquifers in the Southwestern United States. The SWPA study area includes four principal aquifers of the United States: the Basin and Range basin-fill aquifers in California, Nevada, Utah, and Arizona; the Rio Grande aquifer system in New Mexico and Colorado; and the California Coastal Basin and Central Valley aquifer systems in California. Similarities in the hydrogeology, land- and water-use practices, and water-quality issues for alluvial basins within the study area allow for regional analysis through synthesis of the baseline knowledge of groundwater-quality conditions in basins previously studied by the NAWQA Program. Resulting improvements in the understanding of the sources, movement, and fate of contaminants are assisting in the development of tools used to assess aquifer susceptibility and vulnerability.This report synthesizes previously published information about the groundwater systems and water quality of 15 information-rich basin-fill aquifers (SWPA case-study basins) into conceptual models of the primary natural and human factors commonly affecting groundwater quality with respect to selected contaminants, thereby helping to build a regional understanding of the susceptibility and vulnerability of basin-fill aquifers to those contaminants. Four relatively common contaminants (dissolved solids, nitrate, arsenic, and uranium) and two contaminant classes (volatile organic compounds (VOCs) and pesticide compounds) were investigated for sources and controls affecting their occurrence and distribution above specified levels of concern in groundwater of the case-study basins. Conceptual models of factors that are important to aquifer vulnerability with respect to those contaminants and contaminant classes were subsequently formed. The

  14. Contaminant transport model validation: The Oak Ridge Reservation

    International Nuclear Information System (INIS)

    Lee, R.R.; Ketelle, R.H.

    1988-09-01

    In the complex geologic setting on the Oak Ridge Reservation, hydraulic conductivity is anisotropic and flow is strongly influenced by an extensive and largely discontinuous fracture network. Difficulties in describing and modeling the aquifer system prompted a study to obtain aquifer property data to be used in a groundwater flow model validation experiment. Characterization studies included the performance of an extensive suite of aquifer test within a 600-square-meter area to obtain aquifer property values to describe the flow field in detail. Following aquifer test, a groundwater tracer test was performed under ambient conditions to verify the aquifer analysis. Tracer migration data in the near-field were used in model calibration to predict tracer arrival time and concentration in the far-field. Despite the extensive aquifer testing, initial modeling inaccurately predicted tracer migration direction. Initial tracer migration rates were consistent with those predicted by the model; however, changing environmental conditions resulted in an unanticipated decay in tracer movement. Evaluation of the predictive accuracy of groundwater flow and contaminant transport models on the Oak Ridge Reservation depends on defining the resolution required, followed by field testing and model grid definition at compatible scales. The use of tracer tests, both as a characterization method and to verify model results, provides the highest level of resolution of groundwater flow characteristics. 3 refs., 4 figs

  15. Methodology for modeling the microbial contamination of air filters.

    Science.gov (United States)

    Joe, Yun Haeng; Yoon, Ki Young; Hwang, Jungho

    2014-01-01

    In this paper, we propose a theoretical model to simulate microbial growth on contaminated air filters and entrainment of bioaerosols from the filters to an indoor environment. Air filter filtration and antimicrobial efficiencies, and effects of dust particles on these efficiencies, were evaluated. The number of bioaerosols downstream of the filter could be characterized according to three phases: initial, transitional, and stationary. In the initial phase, the number was determined by filtration efficiency, the concentration of dust particles entering the filter, and the flow rate. During the transitional phase, the number of bioaerosols gradually increased up to the stationary phase, at which point no further increase was observed. The antimicrobial efficiency and flow rate were the dominant parameters affecting the number of bioaerosols downstream of the filter in the transitional and stationary phase, respectively. It was found that the nutrient fraction of dust particles entering the filter caused a significant change in the number of bioaerosols in both the transitional and stationary phases. The proposed model would be a solution for predicting the air filter life cycle in terms of microbiological activity by simulating the microbial contamination of the filter.

  16. Methodology for modeling the microbial contamination of air filters.

    Directory of Open Access Journals (Sweden)

    Yun Haeng Joe

    Full Text Available In this paper, we propose a theoretical model to simulate microbial growth on contaminated air filters and entrainment of bioaerosols from the filters to an indoor environment. Air filter filtration and antimicrobial efficiencies, and effects of dust particles on these efficiencies, were evaluated. The number of bioaerosols downstream of the filter could be characterized according to three phases: initial, transitional, and stationary. In the initial phase, the number was determined by filtration efficiency, the concentration of dust particles entering the filter, and the flow rate. During the transitional phase, the number of bioaerosols gradually increased up to the stationary phase, at which point no further increase was observed. The antimicrobial efficiency and flow rate were the dominant parameters affecting the number of bioaerosols downstream of the filter in the transitional and stationary phase, respectively. It was found that the nutrient fraction of dust particles entering the filter caused a significant change in the number of bioaerosols in both the transitional and stationary phases. The proposed model would be a solution for predicting the air filter life cycle in terms of microbiological activity by simulating the microbial contamination of the filter.

  17. A unified framework for modelling sediment fate from source to sink and its interactions with reef systems over geological times.

    Science.gov (United States)

    Salles, Tristan; Ding, Xuesong; Webster, Jody M; Vila-Concejo, Ana; Brocard, Gilles; Pall, Jodie

    2018-03-27

    Understanding the effects of climatic variability on sediment dynamics is hindered by limited ability of current models to simulate long-term evolution of sediment transfer from source to sink and associated morphological changes. We present a new approach based on a reduced-complexity model which computes over geological time: sediment transport from landmasses to coasts, reworking of marine sediments by longshore currents, and development of coral reef systems. Our framework links together the main sedimentary processes driving mixed siliciclastic-carbonate system dynamics. It offers a methodology for objective and quantitative sediment fate estimations over regional and millennial time-scales. A simulation of the Holocene evolution of the Great Barrier Reef shows: (1) how high sediment loads from catchments erosion prevented coral growth during the early transgression phase and favoured sediment gravity-flows in the deepest parts of the northern region basin floor (prior to 8 ka before present (BP)); (2) how the fine balance between climate, sea-level, and margin physiography enabled coral reefs to thrive under limited shelf sedimentation rates after ~6 ka BP; and, (3) how since 3 ka BP, with the decrease of accommodation space, reduced of vertical growth led to the lateral extension of reefs consistent with available observational data.

  18. Application of SELECT and SWAT models to simulate source load, fate, and transport of fecal bacteria in watersheds.

    Science.gov (United States)

    Ranatunga, T.

    2017-12-01

    Modeling of fate and transport of fecal bacteria in a watershed is a processed based approach that considers releases from manure, point sources, and septic systems. Overland transport with water and sediments, infiltration into soils, transport in the vadose zone and groundwater, die-off and growth processes, and in-stream transport are considered as the other major processes in bacteria simulation. This presentation will discuss a simulation of fecal indicator bacteria source loading and in-stream conditions of a non-tidal watershed (Cedar Bayou Watershed) in South Central Texas using two models; Spatially Explicit Load Enrichment Calculation Tool (SELECT) and Soil and Water Assessment Tool (SWAT). Furthermore, it will discuss a probable approach of bacteria source load reduction in order to meet the water quality standards in the streams. The selected watershed is listed as having levels of fecal indicator bacteria that posed a risk for contact recreation and wading by the Texas Commission of Environmental Quality (TCEQ). The SELECT modeling approach was used in estimating the bacteria source loading from land categories. Major bacteria sources considered were, failing septic systems, discharges from wastewater treatment facilities, excreta from livestock (Cattle, Horses, Sheep and Goat), excreta from Wildlife (Feral Hogs, and Deer), Pet waste (mainly from Dogs), and runoff from urban surfaces. The estimated source loads from SELECT model were input to the SWAT model, and simulate the bacteria transport through the land and in-stream. The calibrated SWAT model was then used to estimate the indicator bacteria in-stream concentrations for future years based on regional land use, population and household forecast (up to 2040). Based on the reductions required to meet the water quality standards in-stream, the corresponding required source load reductions were estimated.

  19. Impact of multi-layer soil model on the simulation of persistent organic pollutant fate at european scale

    International Nuclear Information System (INIS)

    Loizeau, Vincent

    2014-01-01

    Persistent Organic Pollutants (POPs) are toxic substances that bio-accumulate in the food chain. Once emitted in the atmosphere, they are transported by the wind and deposited on soil. Since they are persistent, they can be re-emitted from soil to atmosphere by volatilization and travel over very long distances. This process is called grasshopper effect. Thus, POPs may be found at significant levels far from their emission source. It is necessary to understand the transport and fate of these pollutants in order to support the decision making process and reduce human exposure to POPs. Regulations over the last decades lead to a decrease of anthropogenic emissions and subsequent decrease of atmospheric concentration. In this context, the soil is no longer a sink of POPs but can be a source to the atmosphere. Many numeric models aim to study the behavior of POPs in the environment. Most of them consider soil compartment as a homogeneous box, leading to an underestimation of re-emissions. Then, it appears of great importance to develop more realistic soil models. The objective of my thesis was to develop such a model, with vertical transport within the soil. This model was evaluated against measured concentration soil profile. We also conducted a sensitivity analysis to identify the key parameters involved in the process of re-emissions. Then, the soil model was coupled with an atmospheric transport model. A case study was finally undertaken to estimate the impacts of re-emissions on global-mass balance of POPs at European scale. (author) [fr

  20. Modeled Watershed Runoff Associated with Variations in Precipitation Data, with Implications for Contaminant Fluxes: Initial Results

    Science.gov (United States)

    Precipitation is one of the primary forcing functions of hydrologic and watershed fate and transport models; however, in light of advances in precipitation estimates across watersheds, data remain highly uncertain. A wide variety of simulated and observed precipitation data are a...

  1. Source-Flux-Fate Modelling of Priority Pollutants in Stormwater Systems

    DEFF Research Database (Denmark)

    Vezzaro, Luca

    quality management. The thesis provides a framework for the trustworthy application of models to estimate PP fluxes from their sources, and through stormwater drainage systems, and to the sink. This fills a knowledge gap regarding stormwater PP and it supplies urban water managers with modelling tools......The increasing focus on management of stormwater Priority Pollutants (PP) enhances the role of mathematical models as support for the assessment of stormwater quality control strategies. This thesis investigates and presents modelling approaches that are suitable to simulate PP fluxes across...... stormwater systems, supporting the development of pollution control strategies. This is obtained by analyzing four study areas: (i) catchment characterization, (ii) pollutant release and transport models, (iii) stormwater treatment models, and (iv) combination of the above into an integrated model. Given...

  2. Modeling uranium transport in acidic contaminated groundwater with base addition

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Fan [Institute of Tibetan Plateau Research, Chinese Academy of Sciences; Luo, Wensui [ORNL; Parker, Jack C. [University of Tennessee, Knoxville (UTK); Brooks, Scott C [ORNL; Watson, David B [ORNL; Jardine, Philip [University of Tennessee, Knoxville (UTK); Gu, Baohua [ORNL

    2011-01-01

    This study investigates reactive transport modeling in a column of uranium(VI)-contaminated sediments with base additions in the circulating influent. The groundwater and sediment exhibit oxic conditions with low pH, high concentrations of NO{sub 3}{sup -}, SO{sub 4}{sup 2-}, U and various metal cations. Preliminary batch experiments indicate that additions of strong base induce rapid immobilization of U for this material. In the column experiment that is the focus of the present study, effluent groundwater was titrated with NaOH solution in an inflow reservoir before reinjection to gradually increase the solution pH in the column. An equilibrium hydrolysis, precipitation and ion exchange reaction model developed through simulation of the preliminary batch titration experiments predicted faster reduction of aqueous Al than observed in the column experiment. The model was therefore modified to consider reaction kinetics for the precipitation and dissolution processes which are the major mechanism for Al immobilization. The combined kinetic and equilibrium reaction model adequately described variations in pH, aqueous concentrations of metal cations (Al, Ca, Mg, Sr, Mn, Ni, Co), sulfate and U(VI). The experimental and modeling results indicate that U(VI) can be effectively sequestered with controlled base addition due to sorption by slowly precipitated Al with pH-dependent surface charge. The model may prove useful to predict field-scale U(VI) sequestration and remediation effectiveness.

  3. Modeling uranium transport in acidic contaminated groundwater with base addition

    International Nuclear Information System (INIS)

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

    2011-01-01

    This study investigates reactive transport modeling in a column of uranium(VI)-contaminated sediments with base additions in the circulating influent. The groundwater and sediment exhibit oxic conditions with low pH, high concentrations of NO 3 - , SO 4 2- , U and various metal cations. Preliminary batch experiments indicate that additions of strong base induce rapid immobilization of U for this material. In the column experiment that is the focus of the present study, effluent groundwater was titrated with NaOH solution in an inflow reservoir before reinjection to gradually increase the solution pH in the column. An equilibrium hydrolysis, precipitation and ion exchange reaction model developed through simulation of the preliminary batch titration experiments predicted faster reduction of aqueous Al than observed in the column experiment. The model was therefore modified to consider reaction kinetics for the precipitation and dissolution processes which are the major mechanism for Al immobilization. The combined kinetic and equilibrium reaction model adequately described variations in pH, aqueous concentrations of metal cations (Al, Ca, Mg, Sr, Mn, Ni, Co), sulfate and U(VI). The experimental and modeling results indicate that U(VI) can be effectively sequestered with controlled base addition due to sorption by slowly precipitated Al with pH-dependent surface charge. The model may prove useful to predict field-scale U(VI) sequestration and remediation effectiveness.

  4. Modeling uranium transport in acidic contaminated groundwater with base addition

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Fan, E-mail: zhangfan@itpcas.ac.cn [Key Laboratory of Tibetan Environment Changes and Land Surface Processes, Institute of Tibetan Plateau Research, Chinese Academy of Sciences, P.O. Box 2871, Beijing, 100085 (China); Luo Wensui [Institute of Urban Environment, Chinese Academy of Sciences, Xiamen, 361021 (China); Parker, Jack C. [Institute for a Secure and Sustainable Environment, Department of Civil and Environmental Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Brooks, Scott C.; Watson, David B. [Environmental Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Jardine, Philip M. [Biosystems Engineering and Soil Science Department, University of Tennessee, Knoxville, TN 37996 (United States); Gu Baohua [Environmental Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)

    2011-06-15

    This study investigates reactive transport modeling in a column of uranium(VI)-contaminated sediments with base additions in the circulating influent. The groundwater and sediment exhibit oxic conditions with low pH, high concentrations of NO{sub 3}{sup -}, SO{sub 4}{sup 2-}, U and various metal cations. Preliminary batch experiments indicate that additions of strong base induce rapid immobilization of U for this material. In the column experiment that is the focus of the present study, effluent groundwater was titrated with NaOH solution in an inflow reservoir before reinjection to gradually increase the solution pH in the column. An equilibrium hydrolysis, precipitation and ion exchange reaction model developed through simulation of the preliminary batch titration experiments predicted faster reduction of aqueous Al than observed in the column experiment. The model was therefore modified to consider reaction kinetics for the precipitation and dissolution processes which are the major mechanism for Al immobilization. The combined kinetic and equilibrium reaction model adequately described variations in pH, aqueous concentrations of metal cations (Al, Ca, Mg, Sr, Mn, Ni, Co), sulfate and U(VI). The experimental and modeling results indicate that U(VI) can be effectively sequestered with controlled base addition due to sorption by slowly precipitated Al with pH-dependent surface charge. The model may prove useful to predict field-scale U(VI) sequestration and remediation effectiveness.

  5. Models for transport and fate of carbon, nutrients and radionuclides in the aquatic ecosystem at Oeregrundsgrepen

    International Nuclear Information System (INIS)

    Erichsen, Anders Christian; Moehlenberg, Flemming; Closter, Rikke Margrethe; Sandberg, Johannes

    2010-06-01

    The aim of the work was to provide supplementary input to the risk assessment of a planned final nuclear waste repository at Forsmark. The main deliverable was a computed water exchange between basins in the Forsmark marine area for the period 6500 BC to 9000 AD - based on the hydrodynamic modelling - to be used as input to the landscape dose model. In addition and what is described in this report, a second deliverable was development and application of high-resolution models for the marine ecosystem and radionuclide processes. The purpose of this deliverable was to illustrate the spatial and temporal variation in important processes and parameters, while constituting a complement to previous modelling approaches and providing supporting information to discussions of the marine ecosystem, parameters and variation (see Chapter 4 and 6).To this end, a hydrodynamic model of high temporal and spatial resolution was constructed and calibrated for the Forsmark area. An ecosystem model was then developed and coupled to the hydrodynamic model. In turn, a detailed radionuclide model was coupled to the ecosystem model to provide detailed predictions of radionuclide transport and accumulation in the coastal ecosystem. The ecosystem and radionuclide models were developed in the equation solver MIKE ECOLab that links seamless to the MIKE3 FM hydrodynamic model. The 'standard' ECOLab ecosystem model was extended with six biological state variables, perennial macroalgae, benthic herbivors, detritus feeders, planktivorus fish and, benthic predators representing the relict isopod Saduria and cod. In contrast to the ecosystem model, the radionuclide model was developed from scratch but building on the structure of the ecosystem model and using the output (process rates linking state variables) from the ecosystem model as input to the radionuclide model. Both the ecosystem model and the radionuclide model were run for several years (5-8 years) to bring state variables into quasi

  6. Models for transport and fate of carbon, nutrients and radionuclides in the aquatic ecosystem at Oeregrundsgrepen

    Energy Technology Data Exchange (ETDEWEB)

    Erichsen, Anders Christian; Moehlenberg, Flemming; Closter, Rikke Margrethe; Sandberg, Johannes [DHI, Hoersholm (Denmark)

    2010-06-15

    The aim of the work was to provide supplementary input to the risk assessment of a planned final nuclear waste repository at Forsmark. The main deliverable was a computed water exchange between basins in the Forsmark marine area for the period 6500 BC to 9000 AD - based on the hydrodynamic modelling - to be used as input to the landscape dose model. In addition and what is described in this report, a second deliverable was development and application of high-resolution models for the marine ecosystem and radionuclide processes. The purpose of this deliverable was to illustrate the spatial and temporal variation in important processes and parameters, while constituting a complement to previous modelling approaches and providing supporting information to discussions of the marine ecosystem, parameters and variation (see Chapter 4 and 6).To this end, a hydrodynamic model of high temporal and spatial resolution was constructed and calibrated for the Forsmark area. An ecosystem model was then developed and coupled to the hydrodynamic model. In turn, a detailed radionuclide model was coupled to the ecosystem model to provide detailed predictions of radionuclide transport and accumulation in the coastal ecosystem. The ecosystem and radionuclide models were developed in the equation solver MIKE ECOLab that links seamless to the MIKE3 FM hydrodynamic model. The 'standard' ECOLab ecosystem model was extended with six biological state variables, perennial macroalgae, benthic herbivors, detritus feeders, planktivorus fish and, benthic predators representing the relict isopod Saduria and cod. In contrast to the ecosystem model, the radionuclide model was developed from scratch but building on the structure of the ecosystem model and using the output (process rates linking state variables) from the ecosystem model as input to the radionuclide model. Both the ecosystem model and the radionuclide model were run for several years (5-8 years) to bring state variables into quasi

  7. The environmental fate of polybrominated diphenyl ethers in the centre of Stockholm - Assessment using a multimedia fugacity model

    Energy Technology Data Exchange (ETDEWEB)

    Palm, Anna

    2001-01-01

    A local-scale assessment of the environmental fate of three congeners of polybrominated diphenyl ethers (PBDEs) has been performed for the centre of Stockholm. The partitioning properties and main transport processes of these congeners in Stockholm are identified using a site-specific multimedia fugacity model, called CeStoc, that was developed and parameterized for the area of interest. CeStoc was based on level III and IV fugacity models. Five compartments were included: air, water, soil, sediment and an organic film covering the impervious surfaces in the city. The model was satisfactory calibrated with the PAH fluoranthene, before it was run for the compounds of interest. Validation with environmental levels of PBDEs was made where possible, showing reasonable agreement with model results. According to the CeStoc results, the majority of the PBDEs emitted are transported out of the region through air advection, implying that Stockholm may act as a source for chemical release to other regions. The largest sink for PBDEs in Stockholm is soil, closely followed by sediment, the two compartments together accounting for about 98 % of the total amount remaining in the system. The degree of bromination does not seem to have a large impact on the environmental distribution in this area, but further research on e.g. physical-chemical properties is necessary before this can be finally concluded. Predicted concentrations of individual PBDE congeners in sediment and water lie in the same range as measured levels of individual PCB-congeners, indicating that PBDEs could have an environmental impact of about the same size as the PCBs.

  8. Continuous-time modeling of cell fate determination in Arabidopsis flowers

    Directory of Open Access Journals (Sweden)

    Angenent Gerco C

    2010-07-01

    Full Text Available Abstract Background The genetic control of floral organ specification is currently being investigated by various approaches, both experimentally and through modeling. Models and simulations have mostly involved boolean or related methods, and so far a quantitative, continuous-time approach has not been explored. Results We propose an ordinary differential equation (ODE model that describes the gene expression dynamics of a gene regulatory network that controls floral organ formation in the model plant Arabidopsis thaliana. In this model, the dimerization of MADS-box transcription factors is incorporated explicitly. The unknown parameters are estimated from (known experimental expression data. The model is validated by simulation studies of known mutant plants. Conclusions The proposed model gives realistic predictions with respect to independent mutation data. A simulation study is carried out to predict the effects of a new type of mutation that has so far not been made in Arabidopsis, but that could be used as a severe test of the validity of the model. According to our predictions, the role of dimers is surprisingly important. Moreover, the functional loss of any dimer leads to one or more phenotypic alterations.

  9. A model based on soil structural aspects describing the fate of genetically modified bacteria in soil

    NARCIS (Netherlands)

    Hoeven, van der N.; Elsas, van J.D.; Heijnen, C.E.

    1996-01-01

    A computer simulation model was developed which describes growth and competition of bacteria in the soil environment. In the model, soil was assumed to contain millions of pores of a few different size classes. An introduced bacterial strain, e.g. a genetically modified micro-organism (GEMMO), was

  10. Models for transport and fate of carbon, nutrients and radionuclides in the aquatic ecosystem at Oeregrundsgrepen

    Energy Technology Data Exchange (ETDEWEB)

    Erichsen, Anders Christian; Moehlenberg, Flemming; Closter, Rikke Margrethe; Sandberg, Johannes (DHI, Hoersholm (Denmark))

    2010-06-15

    The aim of the work was to provide supplementary input to the risk assessment of a planned final nuclear waste repository at Forsmark. The main deliverable was a computed water exchange between basins in the Forsmark marine area for the period 6500 BC to 9000 AD - based on the hydrodynamic modelling - to be used as input to the landscape dose model. In addition and what is described in this report, a second deliverable was development and application of high-resolution models for the marine ecosystem and radionuclide processes. The purpose of this deliverable was to illustrate the spatial and temporal variation in important processes and parameters, while constituting a complement to previous modelling approaches and providing supporting information to discussions of the marine ecosystem, parameters and variation (see Chapter 4 and 6).To this end, a hydrodynamic model of high temporal and spatial resolution was constructed and calibrated for the Forsmark area. An ecosystem model was then developed and coupled to the hydrodynamic model. In turn, a detailed radionuclide model was coupled to the ecosystem model to provide detailed predictions of radionuclide transport and accumulation in the coastal ecosystem. The ecosystem and radionuclide models were developed in the equation solver MIKE ECOLab that links seamless to the MIKE3 FM hydrodynamic model. The 'standard' ECOLab ecosystem model was extended with six biological state variables, perennial macroalgae, benthic herbivors, detritus feeders, planktivorus fish and, benthic predators representing the relict isopod Saduria and cod. In contrast to the ecosystem model, the radionuclide model was developed from scratch but building on the structure of the ecosystem model and using the output (process rates linking state variables) from the ecosystem model as input to the radionuclide model. Both the ecosystem model and the radionuclide model were run for several years (5-8 years) to bring state variables into

  11. X-231B technology demonstration for in situ treatment of contaminated soil: Contaminant characterization and three dimensional spatial modeling

    International Nuclear Information System (INIS)

    West, O.R.; Siegrist, R.L.; Mitchell, T.J.; Pickering, D.A.; Muhr, C.A.; Greene, D.W.; Jenkins, R.A.

    1993-11-01

    Fine-textured soils and sediments contaminated by trichloroethylene (TCE) and other chlorinated organics present a serious environmental restoration challenge at US Department of Energy (DOE) sites. DOE and Martin Marietta Energy Systems, Inc. initiated a research and demonstration project at Oak Ridge National Laboratory. The goal of the project was to demonstrate a process for closure and environmental restoration of the X-231B Solid Waste Management Unit at the DOE Portsmouth Gaseous Diffusion Plant. The X-231B Unit was used from 1976 to 1983 as a land disposal site for waste oils and solvents. Silt and clay deposits beneath the unit were contaminated with volatile organic compounds and low levels of radioactive substances. The shallow groundwater was also contaminated, and some contaminants were at levels well above drinking water standards. This document begins with a summary of the subsurface physical and contaminant characteristics obtained from investigative studies conducted at the X-231B Unit prior to January 1992 (Sect. 2). This is then followed by a description of the sample collection and analysis methods used during the baseline sampling conducted in January 1992 (Sect. 3). The results of this sampling event were used to develop spatial models for VOC contaminant distribution within the X-231B Unit

  12. Environmental fate model for ultra-low-volume insecticide applications used for adult mosquito management

    Science.gov (United States)

    Schleier, Jerome J.; Peterson, Robert K.D.; Irvine, Kathryn M.; Marshall, Lucy M.; Weaver, David K.; Preftakes, Collin J.

    2012-01-01

    One of the more effective ways of managing high densities of adult mosquitoes that vector human and animal pathogens is ultra-low-volume (ULV) aerosol applications of insecticides. The U.S. Environmental Protection Agency uses models that are not validated for ULV insecticide applications and exposure assumptions to perform their human and ecological risk assessments. Currently, there is no validated model that can accurately predict deposition of insecticides applied using ULV technology for adult mosquito management. In addition, little is known about the deposition and drift of small droplets like those used under conditions encountered during ULV applications. The objective of this study was to perform field studies to measure environmental concentrations of insecticides and to develop a validated model to predict the deposition of ULV insecticides. The final regression model was selected by minimizing the Bayesian Information Criterion and its prediction performance was evaluated using k-fold cross validation. Density of the formulation and the density and CMD interaction coefficients were the largest in the model. The results showed that as density of the formulation decreases, deposition increases. The interaction of density and CMD showed that higher density formulations and larger droplets resulted in greater deposition. These results are supported by the aerosol physics literature. A k-fold cross validation demonstrated that the mean square error of the selected regression model is not biased, and the mean square error and mean square prediction error indicated good predictive ability.

  13. Requirements for modeling airborne microbial contamination in space stations

    Science.gov (United States)

    Van Houdt, Rob; Kokkonen, Eero; Lehtimäki, Matti; Pasanen, Pertti; Leys, Natalie; Kulmala, Ilpo

    2018-03-01

    Exposure to bioaerosols is one of the facets that affect indoor air quality, especially for people living in densely populated or confined habitats, and is associated to a wide range of health effects. Good indoor air quality is thus vital and a prerequisite for fully confined environments such as space habitats. Bioaerosols and microbial contamination in these confined space stations can have significant health impacts, considering the unique prevailing conditions and constraints of such habitats. Therefore, biocontamination in space stations is strictly monitored and controlled to ensure crew and mission safety. However, efficient bioaerosol control measures rely on solid understanding and knowledge on how these bioaerosols are created and dispersed, and which factors affect the survivability of the associated microorganisms. Here we review the current knowledge gained from relevant studies in this wide and multidisciplinary area of bioaerosol dispersion modeling and biological indoor air quality control, specifically taking into account the specific space conditions.

  14. Mathematical modeling of groundwater contamination with varying velocity field

    Directory of Open Access Journals (Sweden)

    Das Pintu

    2017-06-01

    Full Text Available In this study, analytical models for predicting groundwater contamination in isotropic and homogeneous porous formations are derived. The impact of dispersion and diffusion coefficients is included in the solution of the advection-dispersion equation (ADE, subjected to transient (time-dependent boundary conditions at the origin. A retardation factor and zero-order production terms are included in the ADE. Analytical solutions are obtained using the Laplace Integral Transform Technique (LITT and the concept of linear isotherm. For illustration, analytical solutions for linearly space- and time-dependent hydrodynamic dispersion coefficients along with molecular diffusion coefficients are presented. Analytical solutions are explored for the Peclet number. Numerical solutions are obtained by explicit finite difference methods and are compared with analytical solutions. Numerical results are analysed for different types of geological porous formations i.e., aquifer and aquitard. The accuracy of results is evaluated by the root mean square error (RMSE.

  15. Modelling Illicit Drug Fate in Sewers for Wastewater-Based Epidemiology

    DEFF Research Database (Denmark)

    Ramin, Pedram

    was found during festival period as compared to normal weekdays. Wastewater-based epidemiology is a truly interdisciplinary approach in which engineering tools, including models developed and tested in this thesis, can be beneficial for the accurate estimation of drug consumption in urban areas........ Sewer systems can be considered as biological reactors, in which the concentration of organic chemicals present in wastewater can be impacted by in-sewer processes during hydraulic residence time. Illicit drug biomarkers, as trace organic chemicals in the range of nanograms to micrograms per liter...... on sorption and transformation of drug biomarkers in raw wastewater and sewer biofilms; and (ii) developing modelling tools – by combining and extending existing modelling frameworks – to predict such processes. To achieve this goal, a substantial part of this thesis was dedicated to the experimental...

  16. Review of reactive kinetic models describing reductive dechlorination of chlorinated ethenes in soil and groundwater

    DEFF Research Database (Denmark)

    Chambon, Julie Claire Claudia; Bjerg, Poul Løgstrup; Scheutz, Charlotte

    2013-01-01

    Reductive dechlorination is a major degradation pathway of chlorinated ethenes in anaerobic subsurface environments, and reactive kinetic models describing the degradation process are needed in fate and transport models of these contaminants. However, reductive dechlorination is a complex biologi...

  17. Modelling the fate of marine debris along a complex shoreline: Lessons from the Great Barrier Reef

    Science.gov (United States)

    Critchell, K.; Grech, A.; Schlaefer, J.; Andutta, F. P.; Lambrechts, J.; Wolanski, E.; Hamann, M.

    2015-12-01

    The accumulation of floating anthropogenic debris in marine and coastal areas has environmental, economic, aesthetic, and human health impacts. Until now, modelling the transport of such debris has largely been restricted to the large-scales of open seas. We used oceanographic modelling to identify potential sites of debris accumulation along a rugged coastline with headlands, islands, rocky coasts and beaches. Our study site was the Great Barrier Reef World Heritage Area that has an emerging problem with debris accumulation. We found that the classical techniques of modelling the transport of floating debris models are only moderately successful due to a number of unknowns or assumptions, such as the value of the wind drift coefficient, the variability of the oceanic forcing and of the wind, the resuspension of some floating debris by waves, and the poorly known relative contribution of floating debris from urban rivers and commercial and recreational shipping. Nevertheless the model was successful in reproducing a number of observations such as the existence of hot spots of accumulation. The orientation of beaches to the prevailing wind direction affected the accumulation rate of debris. The wind drift coefficient and the exact timing of the release of the debris at sea affected little the movement of debris originating from rivers but it affected measurably that of debris originating from ships. It was thus possible to produce local hotspot maps for floating debris, especially those originating from rivers. Such modelling can be used to inform local management decisions, and it also identifies likely priority research areas to more reliably predict the trajectory and landing points of floating debris.

  18. Modeling the Fate of Expiratory Aerosols and the Associated Infection Risk in an Aircraft Cabin Environment

    DEFF Research Database (Denmark)

    Wan, M.P.; To, G.N.S.; Chao, C.Y.H.

    2009-01-01

    to estimate the risk of infection by contact. The environmental control system (ECS) in a cabin creates air circulation mainly in the lateral direction, making lateral dispersions of aerosols much faster than longitudinal dispersions. Aerosols with initial sizes under 28 m in diameter can stay airborne......The transport and deposition of polydispersed expiratory aerosols in an aircraft cabin were simulated using a Lagrangian-based model validated by experiments conducted in an aircraft cabin mockup. Infection risk by inhalation was estimated using the aerosol dispersion data and a model was developed...

  19. Comparison of three pesticide fate models for two herbicides leaching under field conditions in a maize cropping system

    Science.gov (United States)

    Marin-Benito, Jesus Maria; Pot, Valérie; Alletto, Lionel; Mamy, Laure; Bedos, Carole; van den Berg, Erik; Barriuso, Enrique; Benoit, Pierre

    2014-05-01

    Losses of pesticides from agricultural soils may influence the quality of groundwater. Therefore, numerous models were developed to assess the transfer of pesticides from the soil surface to groundwater after their application to an agricultural field. Our objective was thus to compare the ability of three pesticide fate models to describe the behavior of water, and S-metolachlor (SMOC) and mesotrione (MES) herbicides as observed under field conditions in a maize monoculture system. Simulations were based on field experimentations set up in Toulouse area (France). The tested scenario focused on a conventional maize monoculture and included two irrigated cropping periods with a fallow period managed with bare soil. SMOC was sprayed annually at 1.25 and 1.52 kg a.i./ha in 2011 and 2012, respectively, while MES was only applied in 2012 but twice, at 0.150 kg a.i./ha. Simulations were performed with the PRZM, PEARL and MACRO models parameterized with field, laboratory, and literature data, and pedotransfer functions. The results of simulations were compared with soil tension, water content and percolation data monitored at different depths in 2011-2012. The comparison of the results obtained by the three models indicated that PRZM was not able to simulate properly the water dynamic in the soil profile and for example, it predicted that microporosity was always saturated at 1 m-depth. On the contrary, PEARL and MACRO simulated quite well the observed water behavior (water pressure head and volumetric water content) at 20 and 50 cm-depth during the irrigated cropping period of 2012. However, simulated soil moisture and water pressure were overestimated before the rainfall event of 20 May 2012. MACRO and PEARL simulations generally showed similar water flow dynamics for the whole period at the three depths. Neither the dynamic nor the total amount of percolated water was correctly simulated by any model. The three models overestimated the total water volume leached at 1 m

  20. Chloride ion transport and fate in oilfield wastewater reuse by interval dynamic multimedia aquivalence model.

    Science.gov (United States)

    Hu, Y; Zhang, C; Wang, D Z; Wen, J Y; Chen, M H; Li, Y

    2013-01-01

    A surface flow constructed wetland was built up to dispose of oilfield wastewater with a high level of inorganic salt ions. Chlorine ion (Cl(-)) was selected as an indicator of soil secondary salinization, and an interval dynamic multimedia aquivalence (IDMA) model was developed to investigate the dynamic multimedia environmental (air, water, soil, flora, and groundwater) effects of Cl(-) in the wastewater irrigation process between 2002 and 2020. The modeled Cl(-) concentrations were in good agreement with the measured ones, as indicated by the interval average logarithmic residual errors (IALREs) being generally lower than 0.5 logarithmic units. The model results showed that the temporal trends of Cl(-) concentrations in the multimedia environments represented a relatively steady state. More than 97.00% of the mass exchange was finished between soil and groundwater compartments, and Cl(-) finally outputted the environmental system by the pathways of advection outflows in the water (71.03%) and groundwater (24.02%). Soil (59.17%) was the dominant sink of Cl(-). It was revealed that the high level of Cl(-) in oilfield wastewater was well treated by the constructed wetland, and there was not a significant environmental effect of soil secondary salinization in the oilfield wastewater reused for the constructed wetland irrigation.

  1. Modeling the long-term fate of agricultural nitrate in groundwater in the San Joaquin Valley, California

    Science.gov (United States)

    Chapelle, Francis H.; Campbell, Bruce G.; Widdowson, Mark A.; Landon, Mathew K.

    2013-01-01

    Nitrate contamination of groundwater systems used for human water supplies is a major environmental problem in many parts of the world. Fertilizers containing a variety of reduced nitrogen compounds are commonly added to soils to increase agricultural yields. But the amount of nitrogen added during fertilization typically exceeds the amount of nitrogen taken up by crops. Oxidation of reduced nitrogen compounds present in residual fertilizers can produce substantial amounts of nitrate which can be transported to the underlying water table. Because nitrate concentrations exceeding 10 mg/L in drinking water can have a variety of deleterious effects for humans, agriculturally derived nitrate contamination of groundwater can be a serious public health issue. The Central Valley aquifer of California accounts for 13 percent of all the groundwater withdrawals in the United States. The Central Valley, which includes the San Joaquin Valley, is one of the most productive agricultural areas in the world and much of this groundwater is used for crop irrigation. However, rapid urbanization has led to increasing groundwater withdrawals for municipal public water supplies. That, in turn, has led to concern about how contaminants associated with agricultural practices will affect the chemical quality of groundwater in the San Joaquin Valley. Crop fertilization with various forms of nitrogen-containing compounds can greatly increase agricultural yields. However, leaching of nitrate from soils due to irrigation has led to substantial nitrate contamination of shallow groundwater. That shallow nitrate-contaminated groundwater has been moving deeper into the Central Valley aquifer since the 1960s. Denitrification can be an important process limiting the mobility of nitrate in groundwater systems. However, substantial denitrification requires adequate sources of electron donors in order to drive the process. In many cases, dissolved organic carbon (DOC) and particulate organic carbon

  2. Tracing the fate of sulfamethoxazole and its metabolites in subsurface: conceptualization and modelling

    Science.gov (United States)

    Rodriguez-Escales, Paula; Sanchez-Vila, Xavier

    2016-04-01

    The degradation of low adsorptive SMX in subsurface porous media is spatially and temporally variable. It depends on various environmental factors such as in situ redox potential, availability of nutrients, local soil characteristics, and temperature. Its degradation is better under anoxic conditions and by co-metabolism processes. In this work, we first develop a conceptual model of degradation of SMX under different redox conditions (denitrification and iron reducing conditions), characterizing the metabolite formation in each condition, and second, we construct a mathematical model that allows reproducing different experiments of SMX degradation reported in the literature. The model was validated using the experimental data from Barbieri et al. (2012), Nödler et al. (2012) and Mohatt et al. (2011). The model reproduces the reversible degradation of SMX under the presence of nitrous acid as an intermediate product of denitrification (it is the conjugate acid of nitrite), as well as, the metabolite formation (4-nitro-SMX and desamino SMX). In those experiments degradation was mediated by the transient formation of a diazonium cation, which was considered responsible of the substitution of the amine radical by a nitro radical, forming the 4-nitro-SMX. On the other hand, both the diazonium compound and the methanol present in the experiment produced a deamination in the SMX, producing desamino-SMX. The formation of these metabolites was unstable and they were retransformed to SMX. Concerning the iron conditions, SMX was degraded due to the oxidation of iron (Fe2+), which was previously oxidized from goethite due to the degradation of a pool of labile organic carbon. As the oxidation of iron occurred on the goethite surface, the best model to reproduce the SMX reduction was a power law rate. Our work is an attempt to properly formulate the degradation process of an emerging compound considering the real degradation mechanisms, rather than using an upscaled black

  3. Fate of emerging and priority micropollutants during the sewage sludge treatment: Case study of Paris conurbation. Part 1: Contamination of the different types of sewage sludge.

    Science.gov (United States)

    Mailler, R; Gasperi, J; Patureau, D; Vulliet, E; Delgenes, N; Danel, A; Deshayes, S; Eudes, V; Guerin, S; Moilleron, R; Chebbo, G; Rocher, V

    2017-01-01

    This article provides data on the contamination of different kinds of sludge (raw, centrifuged, digested, thermally dried sludge and sludge cake) from Paris conurbation by 71 various pollutants including pharmaceutical products (PHPs), hormones, perfluorinated acids (PFAs), linear alkylbenzene sulfonate (LAS), alkylphenols (APs), phthalates (PAEs), polycyclic aromatic hydrocarbons (PAHs) and polychlorobiphenyls (PCBs). Very high contents of LAS (0.1-10g/kg dry matter - DM) compared to other compounds were found in all types of sludge followed by DEHP (10-100mg/kg DM) and fluoroquinolones (1-100mg/kg DM). APs were measured at intermediary contents in Parisian sludge, lying in the 2-20mg/kg DM range. Finally, hormones, PAHs, PCBs, PAEs, PFAs and the remaining PHPs were all found at contents lower than 1mg/kg DM. For most compounds (PHPs, PFOS, DEHP, PAHs), no significant differences in the micropollutant contents were found for similar types of sludge from different WWTP in Paris, highlighting the homogeneity of sludge contamination in downstream Paris catchment. The variability of concentration is rather high (coefficient of variation >100%) for several PHPs, PFAs or PCBs while it is moderate (PFAs, APs and PCBs. During sludge treatment (centrifugation, digestion, thermal drying, sludge conditioning+press filtration), the hormones, LAS, APs, PAHs, DEHP and PCBs concentrations increased, while those of PHPs and PFAs decreased. In the case of digestion, the increase of content can be explained by no pollutant removal or a lower removal than DM removal (concentration phenomenon) whereas the decrease underlines that the compound is more removed than the DM. In any case, these concentration variations presuppose the mechanisms of dissipation that could be attributed to volatilization, biotic or abiotic transformation (complete or with metabolites production), bound residues formation. In addition, data on sludge liquors - centrifuged (CW) and condensed (TDW) waters

  4. Modelling assessment of regional groundwater contamination due to historic smelter emissions of heavy metals

    NARCIS (Netherlands)

    Grift, B. van der; Griffioen, J.

    2008-01-01

    Historic emissions from ore smelters typically cause regional soil contamination. We developed a modelling approach to assess the impact of such contamination on groundwater and surface water load, coupling unsaturated zone leaching modelling with 3D groundwater transport modelling. Both historic

  5. Modeling Catalytic Destruction of Subsurface Contaminants in Recirculating Wells

    National Research Council Canada - National Science Library

    Cadena, Kerry

    2003-01-01

    ... (National Research Council, 1994). Examples of groundwater contaminants of special interest to DoD and AF installations include fuel hydrocarbons, chlorinated hydrocarbons, and nitroaromatic compounds...

  6. A first European scale multimedia fate modelling of BDE-209 from 1970 to 2020.

    Science.gov (United States)

    Earnshaw, Mark R; Jones, Kevin C; Sweetman, Andy J

    2015-01-01

    The European Variant Berkeley Trent (EVn-BETR) multimedia fugacity model is used to test the validity of previously derived emission estimates and predict environmental concentrations of the main decabromodiphenyl ether congener, BDE-209. The results are presented here and compared with measured environmental data from the literature. Future multimedia concentration trends are predicted using three emission scenarios (Low, Realistic and High) in the dynamic unsteady state mode covering the period 1970-2020. The spatial and temporal distributions of emissions are evaluated. It is predicted that BDE-209 atmospheric concentrations peaked in 2004 and will decline to negligible levels by 2025. Freshwater concentrations should have peaked in 2011, one year after the emissions peak with sediment concentrations peaking in 2013. Predicted atmospheric concentrations are in good agreement with measured data for the Realistic (best estimate of emissions) and High (worst case scenario) emission scenarios. The Low emission scenario consistently underestimates measured data. The German unilateral ban on the use of DecaBDE in the textile industry is simulated in an additional scenario, the effects of which are mainly observed within Germany with only a small effect on the surrounding areas. Overall, the EVn-BTER model predicts atmospheric concentrations reasonably well, within a factor of 5 and 1.2 for the Realistic and High emission scenarios respectively, providing partial validation for the original emission estimate. Total mean MEC:PEC shows the High emission scenario predicts the best fit between air, freshwater and sediment data. An alternative spatial distribution of emissions is tested, based on higher consumption in EBFRIP member states, resulting in improved agreement between MECs and PECs in comparison with the Uniform spatial distribution based on population density. Despite good agreement between modelled and measured point data, more long-term monitoring datasets are

  7. Fate of bone marrow mesenchymal stromal cells following autologous transplantation in a rabbit model of osteonecrosis.

    Science.gov (United States)

    Sugaya, Hisashi; Mishima, Hajime; Gao, Ran; Kaul, Sunil C; Wadhwa, Renu; Aoto, Katsuya; Li, Meihua; Yoshioka, Tomokazu; Ogawa, Takeshi; Ochiai, Naoyuki; Yamazaki, Masashi

    2016-02-01

    Internalizing quantum dots (i-QDs) are a useful tool for tracking cells in vivo in models of tissue regeneration. We previously synthesized i-QDs by conjugating QDs with a unique internalizing antibody against a heat shock protein 70 family stress chaperone. In the present study, i-QDs were used to label rabbit mesenchymal stromal cells (MSCs) that were then transplanted into rabbits to assess differentiation potential in an osteonecrosis model. The i-QDs were taken up by bone marrow-derived MSCs collected from the iliac of 12-week-old Japanese white rabbits that were positive for cluster of differentiation (CD)81 and negative for CD34 and human leukocyte antigen DR. The average rate of i-QD internalization was 93.3%. At 4, 8, 12, and 24 weeks after transplantation, tissue repair was evaluated histologically and by epifluorescence and electron microscopy. The i-QDs were detected at the margins of the drill holes and in the necrotized bone trabecular. There was significant colocalization of the i-QD signal in transplanted cells and markers of osteoblast and mineralization at 4, 8, and 12 weeks post-transplantation, while i-QDs were detected in areas of mineralization at 12 and 24 weeks post-transplantation. Moreover, i-QDs were observed in osteoblasts in regenerated tissue by electron microscopy, demonstrating that the tissue was derived from transplanted cells. These results indicate that transplanted MSCs can differentiate into osteoblasts and induce tissue repair in an osteonecrosis model and can be tracked over the long term by i-QD labeling. Copyright © 2015 International Society for Cellular Therapy. Published by Elsevier Inc. All rights reserved.

  8. CASCADER: An m-chain gas-phase radionuclide transport and fate model

    International Nuclear Information System (INIS)

    Cawlfield, D.E.; Been, K.B.; Emer, D.F.; Lindstrom, F.T.; Shott, G.J.

    1993-06-01

    Chemicals and radionuclides move either in the gas-phase, liquid-phase, or both phases in soils. They may be acted upon by either biological or abiotic processes through advection and/or diffusion. Furthermore, parent and daughter radionuclides may decay as they are transported in the soil. This is volume two to the CASCADER series, titled CASCADR8. It embodies the concepts presented in volume one of this series. To properly understand how the CASCADR8 model works, the reader should read volume one first. This volume presents the input and output file structure for CASCADR8, and a set of realistic scenarios for buried sources of radon gas

  9. CASCADER: An M-chain gas-phase radionuclide transport and fate model

    International Nuclear Information System (INIS)

    Cawlfield, D.E.; Emer, D.F.; Lindstrom, F.T.; Shott, G.J.

    1993-09-01

    Chemicals and radionuclides move either in the gas-phase, liquid-phase, or both phases in soils. They may be acted upon by either biological or abiotic processes through advection and/or dispersion. Additionally during the transport of parent and daughter radionuclides in soil, radionuclide decay may occur. This version of CASCADER called CASCADR9 starts with the concepts presented in volumes one and three of this series. For a proper understanding of how the model works, the reader should read volume one first. Also presented in this volume is a set of realistic scenarios for buried sources of radon gas, and the input and output file structure for CASCADER9

  10. Fate of bone marrow stromal cells in a syngenic model of bone formation.

    Science.gov (United States)

    Boukhechba, Florian; Balaguer, Thierry; Bouvet-Gerbettaz, Sébastien; Michiels, Jean-François; Bouler, Jean-Michel; Carle, Georges F; Scimeca, Jean-Claude; Rochet, Nathalie

    2011-09-01

    Bone marrow stromal cells (BMSCs) have been demonstrated to induce bone formation when associated to osteoconductive biomaterials and implanted in vivo. Nevertheless, their role in bone reconstruction is not fully understood and rare studies have been conducted to follow their destiny after implantation in syngenic models. The aim of the present work was to use sensitive and quantitative methods to track donor and recipient cells after implantation of BMSCs in a syngenic model of ectopic bone formation. Using polymerase chain reaction (PCR) amplification of the Sex determining Region Y (Sry) gene and in situ hybridization of the Y chromosome in parallel to histological analysis, we have quantified within the implants the survival of the donor cells and the colonization by the recipient cells. The putative migration of the BMSCs in peripheral organs was also analyzed. We show here that grafted cells do not survive more than 3 weeks after implantation and might migrate in peripheral lymphoid organs. These cells are responsible for the attraction of host cells within the implants, leading to the centripetal colonization of the biomaterial by new bone.

  11. Modeling the migration of radioactive contaminants in groundwater of in situ leaching uranium mine

    International Nuclear Information System (INIS)

    Li Chunguang; Tai Kaixuan

    2011-01-01

    The radioactive contamination of groundwater from in situ leaching (ISL) of uranium mining is a widespread environmental problem. This paper analyzed the monitor results of groundwater contaminations for a in situ leaching uranium mine. A dynamic model of contaminants transport in groundwater in ISL well field was established. The processes and mechanisms of contaminant transport in groundwater were simulated numerically for a ISL well field. A small quantity of U and SO 4 2- migrate to outside of well field during ISL production stage. But the migration velocity and distance of contaminations is small, and the concentration is low. Contaminants migrate as anomalistic tooth-shape. The migration trend of U and SO 4 2- is consistent. Numerical modeling can provide an effective approach to analyse the transport mechanism, and forecast and control the migration of contaminants in groundwater in ISL well field. (authors)

  12. Frozen into stripes: fate of the critical Ising model after a quench.

    Science.gov (United States)

    Blanchard, T; Picco, M

    2013-09-01

    In this article we study numerically the final state of the two-dimensional ferromagnetic critical Ising model after a quench to zero temperature. Beginning from equilibrium at T_{c}, the system can be blocked in a variety of infinitely long lived stripe states in addition to the ground state. Similar results have already been obtained for an infinite temperature initial condition and an interesting connection to exact percolation crossing probabilities has emerged. Here we complete this picture by providing an example of stripe states precisely related to initial crossing probabilities for various boundary conditions. We thus show that this is not specific to percolation but rather that it depends on the properties of spanning clusters in the initial state.

  13. Fate of Staphylococcus aureus in radiation sterilized model food systems simulating dairy products

    International Nuclear Information System (INIS)

    Sulebele, G.A.; Kamat, M.Y.

    1976-01-01

    Gamma irradiation was successfully employed for the development of sterile model food systems simulating dairy products such as pedha and cottage cheese which were inoculated with enterotoxigenic S.aureus S-6 and FR1-100 either individually or in association with S.epidermids and other mixed flora comprising of gram-positive, gram-negative and lactic bacteria and stored at 4 and 35 degC for 6-8 weeks. Pedha failed to support growth of S.aureus while cottage cheese favoured profuse growth of the pathogen. S.epidermidis exhibited a synergistic effect on the growth of S.aureus in cottage cheese. Baired-Parker's medium showed very poor recovery of S.aureus which necessitated the development of a new selective medium for the enumeration of staphylococci in processed foods. (author)

  14. Qualitatively Modeling solute fate and transport across scales in an agricultural catchment with diverse lithology

    Science.gov (United States)

    Wayman, C. R.; Russo, T. A.; Li, L.; Forsythe, B.; Hoagland, B.

    2017-12-01

    As part of the Susquehanna Shale Hills Critical Zone Observatory (SSHCZO) project, we have collected geochemical and hydrological data from several subcatchments and four monitoring sites on the main stem of Shaver's Creek, in Huntingon county, Pennsylvania. One subcatchment (0.43 km2) is under agricultural land use, and the monitoring locations on the larger Shaver's Creek (up to 163 km2) drain watersheds with 0 to 25% agricultural area. These two scales of investigation, coupled with advances made across the SSHCZO on multiple lithologies allow us to extrapolate from the subcatchment to the larger watershed. We use geochemical surface and groundwater data to estimate the solute and water transport regimes within the catchment, and to show how lithology and land use are major controls on ground and surface water quality. One area of investigation includes the transport of nutrients between interflow and regional groundwater, and how that connectivity may be reflected in local surface waters. Water and nutrient (Nitrogen) isotopes, will be used to better understand the relative contributions of local and regional groundwater and interflow fluxes into nearby streams. Following initial qualitative modeling, multiple hydrologic and nutrient transport models (e.g. SWAT and CYCLES/PIHM) will be evaluated from the subcatchment to large watershed scales. We will evaluate the ability to simulate the contributions of regional groundwater versus local groundwater, and also impacts of agricultural land management on surface water quality. Improving estimations of groundwater contributions to stream discharge will provide insight into how much agricultural development can impact stream quality and nutrient loading.

  15. A Model Study of the Photochemical Fate of As(III in Paddy-Water

    Directory of Open Access Journals (Sweden)

    Luca Carena

    2017-03-01

    Full Text Available The APEX (Aqueous Photochemistry of Environmentally-occurring Xenobiotics software previously developed by one of us was used to model the photochemistry of As(III in paddy-field water, allowing a comparison with biotic processes. The model included key paddy-water variables, such as the shielding effect of the rice canopy on incident sunlight and its monthly variations, water pH, and the photochemical parameters of the chromophoric dissolved organic matter (CDOM occurring in paddy fields. The half-life times (t1/2 of As(III photooxidation to As(V would be ~20–30 days in May. In contrast, the photochemical oxidation of As(III would be much slower in June and July due to rice-canopy shading of radiation because of plant growth, despite higher sunlight irradiance. At pH < 8 the photooxidation of As(III would mainly be accounted for by reaction with transient species produced by irradiated CDOM (here represented by the excited triplet states 3CDOM*, neglecting the possibly more important reactions with poorly known species such as the phenoxy radicals and, to a lesser extent, with the hydroxyl radicals (HO•. However, the carbonate radicals (CO3•− could be key photooxidants at pH > 8.5 provided that the paddy-water 3CDOM* is sufficiently reactive toward the oxidation of CO32−. In particular, if paddy-water 3CDOM* oxidizes the carbonate anion with a second-order reaction rate constant near (or higher than 106 M−1·s−1, the photooxidation of As(III could be quite fast at pH > 8.5. Such pH conditions can be produced by elevated photosynthetic activity that consumes dissolved CO2.

  16. Contaminant transport in aquifers: improving the determination of model parameters

    International Nuclear Information System (INIS)

    Sabino, C.V.S.; Moreira, R.M.; Lula, Z.L.; Chausson, Y.; Magalhaes, W.F.; Vianna, M.N.

    1998-01-01

    Parameters conditioning the migration behavior of cesium and mercury are measured with their tracers 137 Cs and 203 Hg in the laboratory, using both batch and column experiments. Batch tests were used to define the sorption isotherm characteristics. Also investigated were the influences of some test parameters, in particular those due to the volume of water to mass of soil ratio (V/m). A provisional relationship between V/m and the distribution coefficient, K d , has been advanced, and a procedure to estimate K d 's valid for environmental values of the ratio V/m has been suggested. Column tests provided the parameters for a transport model. A major problem to be dealt with in such tests is the collimation of the radioactivity probe. Besides mechanically optimizing the collimator, a deconvolution procedure has been suggested and tested, with statistical criteria, to filter off both noise and spurious tracer signals. Correction procedures for the integrating effect introduced by sampling at the exit of columns have also been developed. These techniques may be helpful in increasing the accuracy required in the measurement of parameters conditioning contaminant migration in soils, thus allowing more reliable predictions based on mathematical model applications. (author)

  17. The fate of pharmaceuticals and personal care products (PPCPs), endocrine disrupting contaminants (EDCs), metabolites and illicit drugs in a WWTW and environmental waters.

    Science.gov (United States)

    Archer, Edward; Petrie, Bruce; Kasprzyk-Hordern, Barbara; Wolfaardt, Gideon M

    2017-05-01

    A large number of emerging contaminants (ECs) are known to persist in surface waters, and create pressure on wastewater treatment works (WWTW) for their effective removal. Although a large database for the levels of these pollutants in water systems exist globally, there is still a lack in the correlation of the levels of these pollutants with possible long-term adverse health effects in wildlife and humans, such as endocrine disruption. The current study detected a total of 55 ECs in WWTW influent surface water, 41 ECs in effluent, and 40 ECs in environmental waters located upstream and downstream of the plant. A list of ECs persisted through the WWTW process, with 28% of all detected ECs removed by less than 50%, and 18% of all ECs were removed by less than 25%. Negative mass balances of some pharmaceuticals and metabolites were observed within the WWTW, suggesting possible back-transformation of ECs during wastewater treatment. Three parental illicit drug compounds were detected within the influent of the WWTW, with concentrations ranging between 27.6 and 147.0 ng L -1 for cocaine, 35.6-120.6 ng L -1 for mephedrone, and 270.9-450.2 ng L -1 for methamphetamine. The related environmental risks are also discussed for some ECs, with particular reference to their ability to disrupt endocrine systems. The current study propose the potential of the pharmaceuticals carbamazepine, naproxen, diclofenac and ibuprofen to be regarded as priority ECs for environmental monitoring due to their regular detection and persistence in environmental waters and their possible contribution towards adverse health effects in humans and wildlife. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

  18. Theoretically exploring direct and indirect chemical effects across ecological and exposure scenarios using mechanistic fate and effects modelling

    NARCIS (Netherlands)

    Laender, de F.; Morselli, M.; Baveco, H.; Brink, van den P.J.; Guardo, Di A.

    2015-01-01

    Predicting ecosystem response to chemicals is a complex problem in ecotoxicology and a challenge for risk assessors. The variables potentially influencing chemical fate and exposure define the exposure scenario while the variables determining effects at the ecosystem level define the ecological

  19. Modeling The Fate of Sumatran Elephants in Bukit Tigapuluh Indonesia: Research Needs & Implications for Population Management

    Directory of Open Access Journals (Sweden)

    Alexander Markus Moßbrucker

    2016-01-01

    Full Text Available The critically endangered Sumatran elephant persists in mainly small and isolated populations that may require intensive management to be viable in the long term. Population Viability Analysis (PVA provides the opportunity to evaluate conservation strategies and objectives prior to implementation, which can be very valuable for site managers by supporting their decision making process. This study applies PVA to a local population of Sumatran elephants roaming the Bukit Tigapuluh landscape, Sumatra, with the main goal to explore the impact of pre-selected conservation measures and population scenarios on both population growth rate and extinction probability. Sensitivity testing revealed considerable parameter uncertainties that should be addressed by targeted research projects in order to improve the predictive power of the baseline population model. Given that further habitat destruction can be prevented, containing illegal killings appears to be of highest priority among the tested conservation measures and represents a mandatory pre-condition for activities addressing inbreeding depression such as elephant translocation or the establishment of a conservation corridor.

  20. Epigenetics of cell fate reprogramming and its implications for neurological disorders modelling.

    Science.gov (United States)

    Grzybek, Maciej; Golonko, Aleksandra; Walczak, Marta; Lisowski, Pawel

    2017-03-01

    The reprogramming of human induced pluripotent stem cells (hiPSCs) proceeds in a stepwise manner with reprogramming factors binding and epigenetic composition changes during transition to maintain the epigenetic landscape, important for pluripotency. There arises a question as to whether the aberrant epigenetic state after reprogramming leads to epigenetic defects in induced stem cells causing unpredictable long term effects in differentiated cells. In this review, we present a comprehensive view of epigenetic alterations accompanying reprogramming, cell maintenance and differentiation as factors that influence applications of hiPSCs in stem cell based technologies. We conclude that sample heterogeneity masks DNA methylation signatures in subpopulations of cells and thus believe that beside a genetic evaluation, extensive epigenomic screening should become a standard procedure to ensure hiPSCs state before they are used for genome editing and differentiation into neurons of interest. In particular, we suggest that exploitation of the single-cell composition of the epigenome will provide important insights into heterogeneity within hiPSCs subpopulations to fast forward development of reliable hiPSC-based analytical platforms in neurological disorders modelling and before completed hiPSC technology will be implemented in clinical approaches. Copyright © 2016 Elsevier Inc. All rights reserved.

  1. It is the economy, stupid! Projecting the fate of fish populations using ecological-economic modeling.

    Science.gov (United States)

    Quaas, Martin F; Reusch, Thorsten B H; Schmidt, Jörn O; Tahvonen, Olli; Voss, Rudi

    2016-01-01

    Four marine fish species are among the most important on the world market: cod, salmon, tuna, and sea bass. While the supply of North American and European markets for two of these species - Atlantic salmon and European sea bass - mainly comes from fish farming, Atlantic cod and tunas are mainly caught from wild stocks. We address the question what will be the status of these wild stocks in the midterm future, in the year 2048, to be specific. Whereas the effects of climate change and ecological driving forces on fish stocks have already gained much attention, our prime interest is in studying the effects of changing economic drivers, as well as the impact of variable management effectiveness. Using a process-based ecological-economic multispecies optimization model, we assess the future stock status under different scenarios of change. We simulate (i) technological progress in fishing, (ii) increasing demand for fish, and (iii) increasing supply of farmed fish, as well as the interplay of these driving forces under different scenarios of (limited) fishery management effectiveness. We find that economic change has a substantial effect on fish populations. Increasing aquaculture production can dampen the fishing pressure on wild stocks, but this effect is likely to be overwhelmed by increasing demand and technological progress, both increasing fishing pressure. The only solution to avoid collapse of the majority of stocks is institutional change to improve management effectiveness significantly above the current state. We conclude that full recognition of economic drivers of change will be needed to successfully develop an integrated ecosystem management and to sustain the wild fish stocks until 2048 and beyond. © 2015 John Wiley & Sons Ltd.

  2. Fate of Lactococcus lactis starter cultures during late ripening in cheese models.

    Science.gov (United States)

    Ruggirello, Marianna; Cocolin, Luca; Dolci, Paola

    2016-10-01

    The presence of Lactococcus lactis, commonly employed as starter culture, was, recently, highlighted and investigated during late cheese ripening. Thus, the main goal of the present study was to assess the persistence and viability of this microorganism throughout manufacturing and ripening of model cheeses. Eight commercial starters, constituted of L. lactis subsp. lactis and L. lactis subsp. cremoris, were inoculated in pasteurized milk in order to manufacture miniature cheeses, ripened for six months. Samples were analysed at different steps (milk after inoculum, curd after cutting, curd after pressing and draining, cheese immediately after salting and cheese at 7, 15, 30, 60, 90, 120, 150 and 180 days of ripening) and submitted to both culture-dependent (traditional plating on M17) and -independent analysis (reverse transcription-quantitative PCR). On the basis of direct RNA analysis, L. lactis populations were detected in all miniature cheeses up to the sixth month of ripening, confirming the presence of viable cells during the whole ripening process, including late stages. Noteworthy, L. lactis was detected by RT-qPCR in cheese samples also when traditional plating failed to indicate its presence. This discrepancy could be explain with the fact that lactococci, during ripening process, enter in a stressed physiological state (viable not culturable, VNC), which might cause their inability to grow on synthetic medium despite their viability in cheese matrix. Preliminary results obtained by "resuscitation" assays corroborated this hypothesis and 2.5% glucose enrichment was effective to recover L. lactis cells in VNC state. The capability of L. lactis to persist in late ripening, and the presence of VNC cells which are known to shift their catabolism to peptides and amino acids consumption, suggests a possible technological role of this microorganism in cheese ripening with a possible impact on flavour formation. Copyright © 2016 Elsevier Ltd. All rights

  3. Modeling climate diversity, tidal dynamics and the fate of volatiles on TRAPPIST-1 planets

    Science.gov (United States)

    Turbet, Martin; Bolmont, Emeline; Leconte, Jeremy; Forget, François; Selsis, Franck; Tobie, Gabriel; Caldas, Anthony; Naar, Joseph; Gillon, Michaël

    2018-05-01

    TRAPPIST-1 planets are invaluable for the study of comparative planetary science outside our solar system and possibly habitability. Both transit timing variations (TTV) of the planets and the compact, resonant architecture of the system suggest that TRAPPIST-1 planets could be endowed with various volatiles today. First, we derived from N-body simulations possible planetary evolution scenarios, and show that all the planets are likely in synchronous rotation. We then used a versatile 3D global climate model (GCM) to explore the possible climates of cool planets around cool stars, with a focus on the TRAPPIST-1 system. We investigated the conditions required for cool planets to prevent possible volatile species to be lost permanently by surface condensation, irreversible burying or photochemical destruction. We also explored the resilience of the same volatiles (when in condensed phase) to a runaway greenhouse process. We find that background atmospheres made of N2, CO, or O2 are rather resistant to atmospheric collapse. However, even if TRAPPIST-1 planets were able to sustain a thick background atmosphere by surviving early X/EUV radiation and stellar wind atmospheric erosion, it is difficult for them to accumulate significant greenhouse gases like CO2, CH4, or NH3. CO2 can easily condense on the permanent nightside, forming CO2 ice glaciers that would flow toward the substellar region. A complete CO2 ice surface cover is theoretically possible on TRAPPIST-1g and h only, but CO2 ices should be gravitationally unstable and get buried beneath the water ice shell in geologically short timescales. Given TRAPPIST-1 planets large EUV irradiation (at least 103 × Titan's flux), CH4 and NH3 are photodissociated rapidly and are thus hard to accumulate in the atmosphere. Photochemical hazes could then sedimentate and form a surface layer of tholins that would progressively thicken over the age of the TRAPPIST-1 system. Regarding habitability, we confirm that few bars of CO2

  4. Evaluation of Contamination Inspection and Analysis Methods through Modeling System Performance

    Science.gov (United States)

    Seasly, Elaine; Dever, Jason; Stuban, Steven M. F.

    2016-01-01

    Contamination is usually identified as a risk on the risk register for sensitive space systems hardware. Despite detailed, time-consuming, and costly contamination control efforts during assembly, integration, and test of space systems, contaminants are still found during visual inspections of hardware. Improved methods are needed to gather information during systems integration to catch potential contamination issues earlier and manage contamination risks better. This research explores evaluation of contamination inspection and analysis methods to determine optical system sensitivity to minimum detectable molecular contamination levels based on IEST-STD-CC1246E non-volatile residue (NVR) cleanliness levels. Potential future degradation of the system is modeled given chosen modules representative of optical elements in an optical system, minimum detectable molecular contamination levels for a chosen inspection and analysis method, and determining the effect of contamination on the system. By modeling system performance based on when molecular contamination is detected during systems integration and at what cleanliness level, the decision maker can perform trades amongst different inspection and analysis methods and determine if a planned method is adequate to meet system requirements and manage contamination risk.

  5. Comparison of different modeling approaches to simulate contaminant transport in a fractured limestone aquifer

    DEFF Research Database (Denmark)

    Mosthaf, Klaus; Rosenberg, L.; Balbarini, Nicola

    . Given available field data and model purpose, this paper therefore aims to develop, examine and compare modeling approaches for transport of contaminants in fractured limestone aquifers. The model comparison was conducted for a contaminated site in Denmark, where a plume of a dissolved contaminant (PCE...... was combined with an analysis of heterogeneities and fractures from a nearby excavation (analog site). Methods for translating the geological information and fracture mapping into each of the model concepts were examined. Each model was compared with available field data, considering both model fit...... of field data is the determination of relevant hydraulic properties and interpretation of aqueous and solid phase contaminant concentration sampling data. Traditional water sampling has a bias towards fracture sampling, however concentrations in the limestone matrix are needed for assessing contaminant...

  6. Prediction of the fate of radioactive material in the South Pacific Ocean using a global high-resolution ocean model

    International Nuclear Information System (INIS)

    Hazell, Douglas R.; England, Matthew H.

    2003-01-01

    We investigate the release of radioactive contaminants from Moruroa Atoll in a global high-resolution off-line model. The spread of tracer is studied in a series of simulations with varying release depths and time-scales, and into ocean velocity fields corresponding to long-term annual mean, seasonal, and interannually varying scenarios. In the instantaneous surface release scenarios we find that the incorporation of a seasonal cycle greatly influences tracer advection, with maximum concentrations still found within the French Polynesia region after 10 years. In contrast, the maximum trace is located in the southeast Pacific when long-term annual mean fields are used. This emphasizes the importance of the seasonal cycle in models of pollution dispersion on large scales. We further find that during an El Nino/Southern Oscillation (ENSO) event reduced currents in the region of Moruroa Atoll result in increased concentrations of radioactive material in French Polynesia, as direct flushing from the source is reduced. In terms of the sensitivity to tracer release time-rates, we find that a gradual input results in maximum concentrations in the near vicinity of French Polynesia. This contrasts the instantaneous-release scenarios, which see maximum concentrations and tracer spread across much of the South Pacific Ocean. For example, in as little as seven years radioactive contamination can reach the east coast of Australia diluted by only a factor of 1000 of the initial concentration. A comparison of results is made with previous studies. Overall, we find much higher concentrations of radionuclides in the South Pacific than has previously been predicted using coarser-resolution models

  7. Scandinavian belief in fate

    Directory of Open Access Journals (Sweden)

    Åke Ström

    1967-02-01

    Full Text Available In point of principle, Christianity does not give room for any belief in fate. Astrology, horoscopes, divination, etc., are strictly rejected. Belief in fate never disappeared in Christian countries, nor did it in Scandinavia in Christian times. Especially in folklore we can find it at any period: People believed in an implacable fate. All folklore is filled up with this belief in destiny. Nobody can escape his fate. The future lies in the hands of fate, and the time to come takes its form according to inscrutable laws. The pre-Christian period in Scandinavia, dominated by pagan Norse religion, and the secularized epoch of the 20th century, however, show more distinctive and more widespread beliefs in fate than does the Christian period. The present paper makes a comparison between these forms of belief.

  8. Modeling In Situ Bioremediation of Perchlorate-Contaminated Groundwater

    National Research Council Canada - National Science Library

    Secody, Roland E

    2007-01-01

    .... An innovative technology was recently developed which uses dual-screened treatment wells to mix an electron donor into perchlorate-contaminated groundwater in order to effect in situ bioremediation...

  9. Developing and applying a site-specific multimedia fate model to address ecological risk of oxytetracycline discharged with aquaculture effluent in coastal waters off Jangheung, Korea.

    Science.gov (United States)

    Kim, Woojung; Lee, Yunho; Kim, Sang Don

    2017-11-01

    The overuse of oxytetracycline (OTC) in aquaculture has become a problem because of its chronic toxic effects on marine ecosystems. The present study assessed the ecological risk of OTC in the coastal waters near the Jangheung Flatfish Farm using a site-specific multimedia fate model to analyze exposure. Before the model was applied, its performance was validated by comparing it with field data. The coastal waters in the testbed were sampled and analyzed using liquid chromatography-tandem mass spectrometry (LC-MS/MS) followed by solid-phase extraction (SPE). The concentrations of OTC measured varied from 7.05 to 95.39ng/L. The results of validating the models showed that the site-specific multimedia fate model performed better (root mean square error (RMSE): 24.217, index of agreement (IOA): 0.739) than conventional fugacity approaches. This result demonstrated the utility of this model in supporting effective future management of aquaculture effluent. The results of probabilistic risk assessment indicated that OTC from aquaculture effluent did not cause adverse effects, even in a maximum-use scenario. Copyright © 2017 Elsevier Inc. All rights reserved.

  10. Finite element analysis of a model scale footing on clean and oil contaminated sand

    International Nuclear Information System (INIS)

    Evgin, E.; Boulon, M.; Das, B.M.

    1995-01-01

    The effects of oil contamination on the behavior of a model scale footing is determined. Tests are carried out with both clean and oil contaminated sand. The data show that the bearing capacity of the footing is reduced significantly as a result of oil contamination. A finite element analysis is performed to calculate the bearing capacity of the footing and the results are compared with the experimental data. The significance of using an interface element in the analysis is discussed

  11. Fate of inorganic contaminants post treatment of acid mine drainage by cryptocrystalline magnesite: Complimenting experimental results with a geochemical model

    CSIR Research Space (South Africa)

    Masindi, V

    2016-03-01

    Full Text Available at an optimum solid: liquid ratio of 1:100 and contact time of 60 min led to an increase in pH, reaching a maximum pH of 10, resulting in significant precipitation of most metal species. Increase of pH in solution with contact time caused the removal...

  12. EXPERIMENTAL AND MODELING STUDIES OF THE FATE OF ORGANIC CONTAMINANTS IN THE PRESENCE OF ALFALFA PLANTS. (R825549C034)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  13. RESEARCH ACTIVITIES AT U.S. GOVERNMENT AGENCIES IN SUBSURFACE REACTIVE TRANSPORT MODELING

    Science.gov (United States)

    The fate of contaminants in the environment is controlled by both chemical reactions and transport phenomena in the subsurface. Our ability to understand the significance of these processes over time requires an accurate conceptual model that incorporates the various mechanisms ...

  14. Groundwater pumping effects on contaminant loading management in agricultural regions.

    Science.gov (United States)

    Park, Dong Kyu; Bae, Gwang-Ok; Kim, Seong-Kyun; Lee, Kang-Kun

    2014-06-15

    Groundwater pumping changes the behavior of subsurface water, including the location of the water table and characteristics of the flow system, and eventually affects the fate of contaminants, such as nitrate from agricultural fertilizers. The objectives of this study were to demonstrate the importance of considering the existing pumping conditions for contaminant loading management and to develop a management model to obtain a contaminant loading design more appropriate and practical for agricultural regions where groundwater pumping is common. Results from this study found that optimal designs for contaminant loading could be determined differently when the existing pumping conditions were considered. This study also showed that prediction of contamination and contaminant loading management without considering pumping activities might be unrealistic. Motivated by these results, a management model optimizing the permissible on-ground contaminant loading mass together with pumping rates was developed and applied to field investigation and monitoring data from Icheon, Korea. The analytical solution for 1-D unsaturated solute transport was integrated with the 3-D saturated solute transport model in order to approximate the fate of contaminants loaded periodically from on-ground sources. This model was further expanded to manage agricultural contaminant loading in regions where groundwater extraction tends to be concentrated in a specific period of time, such as during the rice-growing season, using a method that approximates contaminant leaching to a fluctuating water table. The results illustrated that the simultaneous management of groundwater quantity and quality was effective and appropriate to the agricultural contaminant loading management and the model developed in this study, which can consider time-variant pumping, could be used to accurately estimate and to reasonably manage contaminant loading in agricultural areas. Copyright © 2014 Elsevier Ltd. All

  15. Human population intake fractions and environmental fate factors of toxic pollutants in life cycle impact assessment

    NARCIS (Netherlands)

    Huijbregts, M.A.J.; Struijs, Jaap; Goedkoop, Mark; Heijungs, Reinout; Jan Hendriks, A.; Van De Meent, Dik

    2005-01-01

    The present paper outlines an update of the fate and exposure part of the fate, exposure and effects model USES-LCA. The new fate and exposure module of USES-LCA was applied to calculate human population intake fractions and fate factors of the freshwater, marine and terrestrial environment for 3393

  16. Modeling Contamination Migration on the Chandra X-Ray Observatory - III

    Science.gov (United States)

    O'Dell, Stephen L.; Swartz, Douglas A.; Tice, Neil W.; Plucinsky, Paul P.; Grant, Catherine E.; Marshall, Herman L.; Vikhlinin, Alexy A.; Tennant, Allyn F.; Dahmer, Matthew T.

    2015-01-01

    During its first 16 years of operation, the cold (about -60 C) optical blocking filter of the Advanced CCD Imaging Spectrometer (ACIS), aboard the Chandra X-ray Observatory, has accumulated a growing layer of molecular contamination that attenuates low-energy x rays. Over the past few years, the accumulation rate, spatial distribution, and composition have changed. This evolution has motivated further analysis of contamination migration within and near the ACIS cavity, in part to evaluate potential bake-out scenarios intended to reduce the level of contamination. Keywords: X-ray astronomy, CCDs, contamination, modeling and simulation, spacecraft operations

  17. In vitro model to study cocaine and its contaminants.

    Science.gov (United States)

    Steinmetz, Aline; Steffens, Luiza; Morás, Ana Moira; Prezzi, Flávia; Braganhol, Elizandra; Saffi, Jenifer; Ortiz, Rafael Scorsatto; Barros, Helena M T; Moura, Dinara Jaqueline

    2018-04-01

    Cocaine is one of the most popular illicit drug worldwide. Due its great addictive potential, which leads to euphoria and hyperactivity, it is considered a public health concern. At the central nervous system, the drug acts inhibiting catecholamine re-uptake. It is now known that in addition to the toxicity of the drug itself, the contaminants present in the street drug have raised concern about the harmful effects on health. Toxicological in vivo and in vitro studies have demonstrated the toxic effects of cocaine correlated with the generation of reactive oxygen species (ROS), which in turn lead to oxidative damage to the cells. Therefore the aim of this work was to propose an in vitro model that reunites the main parameters of toxicity of the cocaine already observed in the literature so far, and we tested this model using cocaine and seizure cocaine sample (SCS), kindly provided by Federal Police of Brazil. For that, we used a C6 glioblastoma cells and evaluated cell death, oxygen reactive species induction, oxidation of macromolecules as membrane lipids and DNA and loss of mitochondrial membrane potential after cocaine exposure. The results showed that cocaine can decrease cellular viability in a dose-dependent way in the C6 cell immortalized and astrocytes primary culture. Cocaine also induced cellular death by apoptosis. However, in the seizure cocaine sample (SCS), the predominant cell death was due to necrosis. Using dichlorofluorescein (DCF) assay, we confirmed ROS production after cocaine exposition. In agreement with these findings, occurred an increasing in MDA production, as well as increased superoxide dismutase (SOD) and catalase (CAT) activity. The induction of DNA damage was observed after cocaine. Our results demonstrate the occurrence of mitochondrial dysfunction by depolarization of mitochondrial membrane as a consequence of cocaine treatment. In summary, these results demonstrated that cocaine can induce reactive oxygen species formation

  18. Compartment model for long-term contamination prediction in deciduous fruit trees after a nuclear accident

    International Nuclear Information System (INIS)

    Antonopoulos-Domis, M.; Clouvas, A.; Gagianas, A.

    1990-01-01

    Radiocesium contamination from the Chernobyl accident of different parts (fruits, leaves, and shoots) of selected apricot trees in North Greece was systematically measured in 1987 and 1988. The results are presented and discussed in the framework of a simple compartment model describing the long-term contamination uptake mechanism of deciduous fruit trees after a nuclear accident

  19. Improving farm management by modeling the contamination of farm tank milk with butyric acid bacteria

    NARCIS (Netherlands)

    Vissers, M.M.M.; Driehuis, F.; Giffel, te M.C.; Jong, de P.; Lankveld, J.M.G.

    2006-01-01

    Control of contamination of farm tank milk (FTM) with the spore-forming butyric acid bacteria (BAB) is important to prevent the late-blowing defect in semi-hard cheeses. The risk of late blowing can be decreased via control of the contamination level of FTM with BAB. A modeling approach was applied

  20. "Fate: The short film"

    OpenAIRE

    Maya Quintana, Jennifer

    2014-01-01

    "Fate: The Short Film" is a four minute short film which reflects the idea that nobody can escape from the fate. It has a good picture and sound quality with an understandable message for all public and with the collaboration of actors, filmmaker, stylist, script advisor and media technician.

  1. Mathematically aided risk assessment of crude oil contamination in Ogoni, Nigeria. Pt. 3. Spatial model of the multiple contamination

    Energy Technology Data Exchange (ETDEWEB)

    Thiergaertner, Hannes [Free Univ. Berlin (Germany). Faculty of Geosciences; Holtzmann, Kay

    2012-03-15

    Mathematical modeling can support environmental risk assessment and decision making processes. Soil contamination caused by crude oil in the Ogoni region, Nigeria, is described in detail in part 1 to understand expected mathematical results. A mathematical-statistical analysis following in part 2 characterizes 33 contaminated sites as entire ecological complex. The sites are studied in part 3 by multivariate classifying models to derive precise information about kind and degree of contamination at every studied location. The 33 sites were studied by multivariate heuristic classifying methods (cluster analyses). Resulting classes or groups include all samples which are similar with respect to their pollution. The amount of 665 analyzed samples was reduced to 28 classes distinguishable by kind and degree of pollution. Mutual relationships between the classes were visualized by dendrograms. The calculated averaged properties of each class have been attached to any sample belonging to a class. Additionally, the geographic origin and depth of each sample was introduced to localize the pollution. The cluster membership of any sample can be marked by symbolic colors and visualized in mini-profiles which were drawn into geographic layers. Four sites in Ogoni have been selected to show and to discuss the result. (orig.)

  2. Modeling to Support Groundwater Contaminant Boundaries for the Shoal Underground Nuclear Test

    Energy Technology Data Exchange (ETDEWEB)

    K. Pohlmann; G. Pohll; J. Chapman; A. Hassan; R. Carroll; C. Shirley

    2004-03-01

    The purpose of this work is to characterize groundwater flow and contaminant transport at the Shoal underground nuclear test through numerical modeling using site-specific hydrologic data. The ultimate objective is the development of a contaminant boundary, a model-predicted perimeter defining the extent of radionuclide-contaminated groundwater from the underground test throughout 1,000 years at a prescribed level of confidence. This boundary will be developed using the numerical models described here, after they are approved for that purpose by DOE and NDEP.

  3. Modeling to Support Groundwater Contaminant Boundaries for the Shoal Underground Nuclear Test

    International Nuclear Information System (INIS)

    K. Pohlmann; G. Pohll; J. Chapman; A. Hassan; R. Carroll; C. Shirley

    2004-01-01

    The purpose of this work is to characterize groundwater flow and contaminant transport at the Shoal underground nuclear test through numerical modeling using site-specific hydrologic data. The ultimate objective is the development of a contaminant boundary, a model-predicted perimeter defining the extent of radionuclide-contaminated groundwater from the underground test throughout 1,000 years at a prescribed level of confidence. This boundary will be developed using the numerical models described here, after they are approved for that purpose by DOE and NDEP

  4. Environmental Pathway Models-Ground-Water Modeling in Support of Remedial Decision Making at Sites Contaminated with Radioactive Material

    Science.gov (United States)

    The Joint Interagency Environmental Pathway Modeling Working Group wrote this report to promote appropriate and consistent use of mathematical environmental models in the remediation and restoration of sites contaminated by radioactive substances.

  5. Contaminant Attenuation and Transport Characterization of 200-UP-1 Operable Unit Sediment Samples

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Brady D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Szecsody, James E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Qafoku, Nikolla [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); McElroy, Erin M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Baum, Steven R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Snyder, Michelle MV [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lawter, Amanda R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Resch, Charles T. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gartman, Brandy N. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Zhong, Lirong [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Saunders, Danielle L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Williams, Benjamin D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Horner, Jacob A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Leavy, Ian I. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Christiansen, Beren B. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Clayton, Ray E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Johnson, Kayla C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2017-09-27

    Contaminants disposed of at the land surface migrate through the vadose zone, forming plumes in groundwater. Processes that occur in the groundwater can attenuate contaminant concentrations during transport through the aquifer. For this reason, quantifying contaminant attenuation and contaminant transport processes in the aquifer, in support of the conceptual site model (CSM) and fate and transport modeling, are important for assessing the need for, and type of, remediation in the groundwater, including monitored natural attenuation (MNA). The framework to characterize attenuation and transport processes provided in U.S. Environmental Protection Agency (EPA) guidance documents was used to guide the laboratory effort reported herein.

  6. Validation and Application of Models to Predict Facemask Influenza Contamination in Healthcare Settings

    Science.gov (United States)

    Fisher, Edward M.; Noti, John D.; Lindsley, William G.; Blachere, Francoise M.; Shaffer, Ronald E.

    2015-01-01

    Facemasks are part of the hierarchy of interventions used to reduce the transmission of respiratory pathogens by providing a barrier. Two types of facemasks used by healthcare workers are N95 filtering facepiece respirators (FFRs) and surgical masks (SMs). These can become contaminated with respiratory pathogens during use, thus serving as potential sources for transmission. However, because of the lack of field studies, the hazard associated with pathogen-exposed facemasks is unknown. A mathematical model was used to calculate the potential influenza contamination of facemasks from aerosol sources in various exposure scenarios. The aerosol model was validated with data from previous laboratory studies using facemasks mounted on headforms in a simulated healthcare room. The model was then used to estimate facemask contamination levels in three scenarios generated with input parameters from the literature. A second model estimated facemask contamination from a cough. It was determined that contamination levels from a single cough (≈19 viruses) were much less than likely levels from aerosols (4,473 viruses on FFRs and 3,476 viruses on SMs). For aerosol contamination, a range of input values from the literature resulted in wide variation in estimated facemask contamination levels (13–202,549 viruses), depending on the values selected. Overall, these models and estimates for facemask contamination levels can be used to inform infection control practice and research related to the development of better facemasks, to characterize airborne contamination levels, and to assist in assessment of risk from reaerosolization and fomite transfer because of handling and reuse of contaminated facemasks. PMID:24593662

  7. Meta-modeling of the pesticide fate model MACRO for groundwater exposure assessments using artificial neural networks

    Science.gov (United States)

    Stenemo, Fredrik; Lindahl, Anna M. L.; Gärdenäs, Annemieke; Jarvis, Nicholas

    2007-08-01

    Several simple index methods that use easily accessible data have been developed and included in decision-support systems to estimate pesticide leaching across larger areas. However, these methods often lack important process descriptions (e.g. macropore flow), which brings into question their reliability. Descriptions of macropore flow have been included in simulation models, but these are too complex and demanding for spatial applications. To resolve this dilemma, a neural network simulation meta-model of the dual-permeability macropore flow model MACRO was created for pesticide groundwater exposure assessment. The model was parameterized using pedotransfer functions that require as input the clay and sand content of the topsoil and subsoil, and the topsoil organic carbon content. The meta-model also requires the topsoil pesticide half-life and the soil organic carbon sorption coefficient as input. A fully connected feed-forward multilayer perceptron classification network with two hidden layers, linked to fully connected feed-forward multilayer perceptron neural networks with one hidden layer, trained on sub-sets of the target variable, was shown to be a suitable meta-model for the intended purpose. A Fourier amplitude sensitivity test showed that the model output (the 80th percentile average yearly pesticide concentration at 1 m depth for a 20 year simulation period) was sensitive to all input parameters. The two input parameters related to pesticide characteristics (i.e. soil organic carbon sorption coefficient and topsoil pesticide half-life) were the most influential, but texture in the topsoil was also quite important since it was assumed to control the mass exchange coefficient that regulates the strength of macropore flow. This is in contrast to models based on the advection-dispersion equation where soil texture is relatively unimportant. The use of the meta-model is exemplified with a case-study where the spatial variability of pesticide leaching is

  8. Evaluation of soil flushing of complex contaminated soil: An experimental and modeling simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Yun, Sung Mi; Kang, Christina S. [Department of Environmental Engineering, Konkuk University, 120 Neungdong-ro, Gwangjin-gu, Seoul 143-701 (Korea, Republic of); Kim, Jonghwa [Department of Industrial Engineering, Konkuk University, 120 Neungdong-ro, Gwangjin-gu, Seoul 143-701 (Korea, Republic of); Kim, Han S., E-mail: hankim@konkuk.ac.kr [Department of Environmental Engineering, Konkuk University, 120 Neungdong-ro, Gwangjin-gu, Seoul 143-701 (Korea, Republic of)

    2015-04-28

    Highlights: • Remediation of complex contaminated soil achieved by sequential soil flushing. • Removal of Zn, Pb, and heavy petroleum oils using 0.05 M citric acid and 2% SDS. • Unified desorption distribution coefficients modeled and experimentally determined. • Nonequilibrium models for the transport behavior of complex contaminants in soils. - Abstract: The removal of heavy metals (Zn and Pb) and heavy petroleum oils (HPOs) from a soil with complex contamination was examined by soil flushing. Desorption and transport behaviors of the complex contaminants were assessed by batch and continuous flow reactor experiments and through modeling simulations. Flushing a one-dimensional flow column packed with complex contaminated soil sequentially with citric acid then a surfactant resulted in the removal of 85.6% of Zn, 62% of Pb, and 31.6% of HPO. The desorption distribution coefficients, K{sub Ubatch} and K{sub Lbatch}, converged to constant values as C{sub e} increased. An equilibrium model (ADR) and nonequilibrium models (TSNE and TRNE) were used to predict the desorption and transport of complex contaminants. The nonequilibrium models demonstrated better fits with the experimental values obtained from the column test than the equilibrium model. The ranges of K{sub Ubatch} and K{sub Lbatch} were very close to those of K{sub Ufit} and K{sub Lfit} determined from model simulations. The parameters (R, β, ω, α, and f) determined from model simulations were useful for characterizing the transport of contaminants within the soil matrix. The results of this study provide useful information for the operational parameters of the flushing process for soils with complex contamination.

  9. Effects of lag and maximum growth in contaminant transport and biodegradation modeling

    International Nuclear Information System (INIS)

    Wood, B.D.; Dawson, C.N.

    1992-06-01

    The effects of time lag and maximum microbial growth on biodegradation in contaminant transport are discussed. A mathematical model is formulated that accounts for these effects, and a numerical case study is presented that demonstrates how lag influences biodegradation

  10. Modeling Chronic Versus Acute Human Risk from Contaminants in Food

    OpenAIRE

    Carriquiry, Alicia L.; Jensen, Helen H.; Nusser, S. M.

    1990-01-01

    The development of policies and regulations to address food safety concerns depends critically on appropriate assessment of health risk in foods. This paper evaluates the methods for assessing the population's exposure to a hazardous substance or contaminant in food and some aspects of the quantification of risk. We review current federal programmatic approaches to risk assessment and potential problems with these approaches. After developing procedures for estimating exposures of individuals...

  11. Long term contaminant migration and impacts from uranium mill tailings. Comparison of computer models using a hypothetical dataset

    International Nuclear Information System (INIS)

    Camus, H.

    1995-11-01

    The Uranium Mill Tailings Working Group of BIOMOVS II was initiated in Vienna in 1991 with the primary objective of comparing models which can be used to assess the long term impact of radioactive releases from uranium mill tailings, involving multiple pathways, multiple contaminants and multiple environmental receptors. A secondary objective was to examine how these models can be used to assess the fate of stable toxic elements. This is an interim report of the Working Group describing: development of a basic scenario describing a tailings system; application of models in deterministic calculations of contaminant concentrations in biosphere media, and related radiation doses, contaminant intakes and health risks; comparison of model results and review of the modelling. A hypothetical scenario has been developed for contaminant releases from a uranium mill tailings facility. The assumptions for the tailings facility and its environs have been chosen to facilitate the evaluation of potentially important processes incorporated into models. The site description is therefore idealised and does not represent any particular facility or type of facility. Atmospheric and groundwater release source terms have been chosen to facilitate comparison of models and should not be considered realistic. The time and effort taken over derivation of the scenario description and the associated preliminary modelling has been an important and valuable learning exercise. It also reflects the importance of gaining a clear picture of what is being modelled so that comparisons of model results are meaningful. Work within the exercise has contributed to new model development and to improvements and extensions to existing models. The scenario is a simplified description of a real facility and the releases which might occur. No allowance has been made for engineered features on the tailings disposal system which might reduce releases. The source terms have been chosen so as to test the models

  12. Long term contaminant migration and impacts from uranium mill tailings. Comparison of computer models using a hypothetical dataset

    Energy Technology Data Exchange (ETDEWEB)

    Camus, H [CEA Centre d' Etudes Nucleaires de Fontenay-aux-Roses (France). Inst. de Protection et de Surete Nucleaire; and others

    1995-11-01

    The Uranium Mill Tailings Working Group of BIOMOVS II was initiated in Vienna in 1991 with the primary objective of comparing models which can be used to assess the long term impact of radioactive releases from uranium mill tailings, involving multiple pathways, multiple contaminants and multiple environmental receptors. A secondary objective was to examine how these models can be used to assess the fate of stable toxic elements. This is an interim report of the Working Group describing: development of a basic scenario describing a tailings system; application of models in deterministic calculations of contaminant concentrations in biosphere media, and related radiation doses, contaminant intakes and health risks; comparison of model results and review of the modelling. A hypothetical scenario has been developed for contaminant releases from a uranium mill tailings facility. The assumptions for the tailings facility and its environs have been chosen to facilitate the evaluation of potentially important processes incorporated into models. The site description is therefore idealised and does not represent any particular facility or type of facility. Atmospheric and groundwater release source terms have been chosen to facilitate comparison of models and should not be considered realistic. The time and effort taken over derivation of the scenario description and the associated preliminary modelling has been an important and valuable learning exercise. It also reflects the importance of gaining a clear picture of what is being modelled so that comparisons of model results are meaningful. Work within the exercise has contributed to new model development and to improvements and extensions to existing models. The scenario is a simplified description of a real facility and the releases which might occur. No allowance has been made for engineered features on the tailings disposal system which might reduce releases. The source terms have been chosen so as to test the models

  13. Assessment of climate change impact on the fates of polycyclic aromatic hydrocarbons in the multimedia environment based on model prediction.

    Science.gov (United States)

    Cai, Juan Juan; Song, Jee Hey; Lee, Yunah; Lee, Dong Soo

    2014-02-01

    The objective was to quantitatively understand the impacts of climate change (CC) under the A1B scenario on the contamination levels of 11 polycyclic aromatic hydrocarbons (PAHs) from pyrogenic sources in the environmental media based on model prediction. To predict the impacts of CC in South Korea, a revised version of KoEFT-PBTs, a dynamic multimedia model for persistent organic pollutants in South Korea, was used. Simulations were conducted for the period from 2000 to 2049 under the A1B scenario with the emission data for 2009 and the results for Seoul and Kangwon were compared to those under no climate change (NCC) scenario. Due to CC, the average of annual or monthly average concentration changes within a factor of two for the PAHs in air, soil and water. Time dependent comparison indicates that the maximum increase induced by CC in the monthly average concentration ranges from 10 to 10(2) in air and water. Change in advective flux due to wind speed difference between A1B and NCC dictates the change of the atmospheric PAHs levels while wet particle deposition due to rain rate difference contributes to some extent to the change of 5 and 6 ring PAHs. Whether the concentration change is positive or not depends primarily on the emission strength of internal sources relative to those in surrounding areas. The CC induced changes in atmospheric depositions and degradation rate in soil play a leading role in the change of soil concentration. In water, runoff and degradation are the key processes to the CC induced concentration change. Both in soil and water, the relative importance of individual key processes varies with PAHs. The difference between the two scenarios in wind speed and in rain rate shows stronger correlations with the concentration change than the temperature change. © 2013 Elsevier B.V. All rights reserved.

  14. Multimedia fate modeling of perfluorooctanoic acid (PFOA) and perfluorooctane sulphonate (PFOS) in the shallow lake Chaohu, China

    NARCIS (Netherlands)

    Kong, X.; Liu, W.; He, W.; Xu, F.; Koelmans, Albert A; Mooij, W.M.

    2018-01-01

    Freshwater shallow lake ecosystems provide valuable ecological services to human beings. However, these systems are subject to severe contamination from anthropogenic sources. Per- and polyfluoroalkyl substances (PFASs), including perfluorooctanoic acid (PFOA) and perfluorooctane sulphonate (PFOS),

  15. OEDGE modeling of plasma contamination efficiency of Ar puffing from different divertor locations in EAST

    Science.gov (United States)

    Pengfei, ZHANG; Ling, ZHANG; Zhenwei, WU; Zong, XU; Wei, GAO; Liang, WANG; Qingquan, YANG; Jichan, XU; Jianbin, LIU; Hao, QU; Yong, LIU; Juan, HUANG; Chengrui, WU; Yumei, HOU; Zhao, JIN; J, D. ELDER; Houyang, GUO

    2018-04-01

    Modeling with OEDGE was carried out to assess the initial and long-term plasma contamination efficiency of Ar puffing from different divertor locations, i.e. the inner divertor, the outer divertor and the dome, in the EAST superconducting tokamak for typical ohmic plasma conditions. It was found that the initial Ar contamination efficiency is dependent on the local plasma conditions at the different gas puff locations. However, it quickly approaches a similar steady state value for Ar recycling efficiency >0.9. OEDGE modeling shows that the final equilibrium Ar contamination efficiency is significantly lower for the more closed lower divertor than that for the upper divertor.

  16. Modelling water and contaminant transport in the Rum Jungle Mine overburden heaps

    International Nuclear Information System (INIS)

    Pantelis, G.

    1987-04-01

    An outline is given of a computer model for water and contaminant transport in and around overburden heaps, with those at the Rum Jungle mine site as a specific example. The model assumes the heaps to lie on a sloping shallow aquifer with identical hydraulic properties. The simulation is carried out for a 40 year period. After the first 20 years a cover which is effectively impermeable to infiltrating rainwater and air is introduced on the heap. The restriction of oxygen supply to the heap terminates contaminant production which results from oxidation of pyrite. Leaching of contaminants from the heap in the following 20-year period is examined

  17. Coupling a continuous watershed-scale microbial fate and transport model with a stochastic dose-response model to estimate risk of illness in an urban watershed.

    Science.gov (United States)

    Liao, Hehuan; Krometis, Leigh-Anne H; Kline, Karen

    2016-05-01

    Within the United States, elevated levels of fecal indicator bacteria (FIB) remain the leading cause of surface water-quality impairments requiring formal remediation plans under the federal Clean Water Act's Total Maximum Daily Load (TMDL) program. The sufficiency of compliance with numerical FIB criteria as the targeted endpoint of TMDL remediation plans may be questionable given poor correlations between FIB and pathogenic microorganisms and varying degrees of risk associated with exposure to different fecal pollution sources (e.g. human vs animal). The present study linked a watershed-scale FIB fate and transport model with a dose-response model to continuously predict human health risks via quantitative microbial risk assessment (QMRA), for comparison to regulatory benchmarks. This process permitted comparison of risks associated with different fecal pollution sources in an impaired urban watershed in order to identify remediation priorities. Results indicate that total human illness risks were consistently higher than the regulatory benchmark of 36 illnesses/1000 people for the study watershed, even when the predicted FIB levels were in compliance with the Escherichia coli geometric mean standard of 126CFU/100mL. Sanitary sewer overflows were associated with the greatest risk of illness. This is of particular concern, given increasing indications that sewer leakage is ubiquitous in urban areas, yet not typically fully accounted for during TMDL development. Uncertainty analysis suggested the accuracy of risk estimates would be improved by more detailed knowledge of site-specific pathogen presence and densities. While previous applications of the QMRA process to impaired waterways have mostly focused on single storm events or hypothetical situations, the continuous modeling framework presented in this study could be integrated into long-term water quality management planning, especially the United States' TMDL program, providing greater clarity to watershed

  18. Modeling phytoextraction of heavy metals at multiply contaminated soils with hyperaccumulator plants

    OpenAIRE

    Khodaverdiloo, Habib

    2009-01-01

    Soils and waters contaminated with heavy metals pose a major environmental and human health problem that needs an effective and affordable technological solution. Phytoextraction offers a reasonable technology which uses plants to extract the heavy metals from soils. However, the effectiveness of this new method needs to be demonstrated by means of mathematical modeling. The phytoextraction models also are needed to manage the contaminated soils. A thorough literature review indic...

  19. Modelling the transuranic contamination in soils by using a generic model and systematic sampling

    International Nuclear Information System (INIS)

    Breitenecker, Katharina; Brandl, Alexander; Bock, Helmut; Villa, Mario

    2008-01-01

    Full text: In the course of the decommissioning the former ASTRA Research Reactor, the Seibersdorf site is to be surveyed for possible contamination by radioactive materials, including transuranium elements. To limit costs due to systematic sampling and time consuming laboratory analyses, a mathematical model that describes the migration of transuranium elements and that includes the local topography of the area where deposition has occurred, was established.The project basis is to find a mathematical function that determines the contamination by modelling the pathways of transuranium elements. The model approach chosen is cellular automata (CA). For this purpose, a hypothetical activity of transuranium elements is released on the ground in the centre of a simulated area. Under the assumption that migration of these elements only takes place by diffusion, transport and sorption, their equations are modelled in the CA-model by a simple discretization for the existing problem. To include local topography, most of the simulated area consists of a green corridor, where migration proceeds quite slowly; streets, where the migrational behaviour is different, and migration velocities in ditches are also modelled. The Migration of three different plutonium isotopes ( 238P u, 239+240P u, 241P u), the migration of one americium isotope ( 241A m), the radioactive decay of 241P u via 241A m to 237N p and the radioactive decay of 238P u to 234U were considered in this model. Due to the special modelling approach of CA, the physical necessity of conservation of the amount of substance is always fulfilled. The entire system was implemented in MATLAB. Systematic sampling onto a featured test site, followed by detailed laboratory analyses were done to compare the underlying CA-model to real data. On this account a nuclide vector with 241A m as the reference nuclide was established. As long as the initial parameters (e.g. meteorological data) are well known, the model describes the

  20. 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.

  1. Ultimate fate of constrained voters

    International Nuclear Information System (INIS)

    Vazquez, F; Redner, S

    2004-01-01

    We examine the ultimate fate of individual opinions in a socially interacting population of leftists, centrists and rightists. In an elemental interaction between agents, a centrist and a leftist can both become centrists or both become leftists with equal rates (and similarly for a centrist and a rightist). However leftists and rightists do not interact. This interaction step between pairs of agents is applied repeatedly until the system can no longer evolve. In the mean-field limit, we determine the exact probability that the system reaches consensus (either leftist, rightist or centrist) or a frozen mixture of leftists and rightists as a function of the initial composition of the population. We also determine the mean time until the final state is reached. Some implications of our results for the ultimate fate in a limit of the Axelrod model are discussed

  2. Ultimate fate of constrained voters

    Energy Technology Data Exchange (ETDEWEB)

    Vazquez, F [Department of Physics, Center for BioDynamics, Boston University, Boston, MA 02215 (United States); Redner, S [Department of Physics, Center for Polymer Studies, Boston University, Boston, MA 02215 (United States)

    2004-09-03

    We examine the ultimate fate of individual opinions in a socially interacting population of leftists, centrists and rightists. In an elemental interaction between agents, a centrist and a leftist can both become centrists or both become leftists with equal rates (and similarly for a centrist and a rightist). However leftists and rightists do not interact. This interaction step between pairs of agents is applied repeatedly until the system can no longer evolve. In the mean-field limit, we determine the exact probability that the system reaches consensus (either leftist, rightist or centrist) or a frozen mixture of leftists and rightists as a function of the initial composition of the population. We also determine the mean time until the final state is reached. Some implications of our results for the ultimate fate in a limit of the Axelrod model are discussed.

  3. Analysis of Salmonella sp bacterial contamination on Vannamei Shrimp using binary logit model approach

    Science.gov (United States)

    Oktaviana, P. P.; Fithriasari, K.

    2018-04-01

    Mostly Indonesian citizen consume vannamei shrimp as their food. Vannamei shrimp also is one of Indonesian exports comodities mainstay. Vannamei shrimp in the ponds and markets could be contaminated by Salmonella sp bacteria. This bacteria will endanger human health. Salmonella sp bacterial contamination on vannamei shrimp could be affected by many factors. This study is intended to identify what factors that supposedly influence the Salmonella sp bacterial contamination on vannamei shrimp. The researchers used the testing result of Salmonella sp bacterial contamination on vannamei shrimp as response variable. This response variable has two categories: 0 = if testing result indicate that there is no Salmonella sp on vannamei shrimp; 1 = if testing result indicate that there is Salmonella sp on vannamei shrimp. There are four factors that supposedly influence the Salmonella sp bacterial contamination on vannamei shrimp, which are the testing result of Salmonella sp bacterial contamination on farmer hand swab; the subdistrict of vannamei shrimp ponds; the fish processing unit supplied by; and the pond are in hectare. This four factors used as predictor variables. The analysis used is Binary Logit Model Approach according to the response variable that has two categories. The analysis result indicates that the factors or predictor variables which is significantly affect the Salmonella sp bacterial contamination on vannamei shrimp are the testing result of Salmonella sp bacterial contamination on farmer hand swab and the subdistrict of vannamei shrimp ponds.

  4. REDUCING UNCERTAINTIES IN MODEL PREDICTIONS VIA HISTORY MATCHING OF CO2 MIGRATION AND REACTIVE TRANSPORT MODELING OF CO2 FATE AT THE SLEIPNER PROJECT

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Chen

    2015-03-31

    An important question for the Carbon Capture, Storage, and Utility program is “can we adequately predict the CO2 plume migration?” For tracking CO2 plume development, the Sleipner project in the Norwegian North Sea provides more time-lapse seismic monitoring data than any other sites, but significant uncertainties still exist for some of the reservoir parameters. In Part I, we assessed model uncertainties by applying two multi-phase compositional simulators to the Sleipner Benchmark model for the uppermost layer (Layer 9) of the Utsira Sand and calibrated our model against the time-lapsed seismic monitoring data for the site from 1999 to 2010. Approximate match with the observed plume was achieved by introducing lateral permeability anisotropy, adding CH4 into the CO2 stream, and adjusting the reservoir temperatures. Model-predicted gas saturation, CO2 accumulation thickness, and CO2 solubility in brine—none were used as calibration metrics—were all comparable with the interpretations of the seismic data in the literature. In Part II & III, we evaluated the uncertainties of predicted long-term CO2 fate up to 10,000 years, due to uncertain reaction kinetics. Under four scenarios of the kinetic rate laws, the temporal and spatial evolution of CO2 partitioning into the four trapping mechanisms (hydrodynamic/structural, solubility, residual/capillary, and mineral) was simulated with ToughReact, taking into account the CO2-brine-rock reactions and the multi-phase reactive flow and mass transport. Modeling results show that different rate laws for mineral dissolution and precipitation reactions resulted in different predicted amounts of trapped CO2 by carbonate minerals, with scenarios of the conventional linear rate law for feldspar dissolution having twice as much mineral trapping (21% of the injected CO2) as scenarios with a Burch-type or Alekseyev et al.–type rate law for feldspar dissolution (11%). So far, most reactive transport modeling (RTM) studies for

  5. Imaging long-term fate of intramyocardially implanted mesenchymal stem cells in a porcine myocardial infarction model.

    Directory of Open Access Journals (Sweden)

    Emerson C Perin

    Full Text Available The long-term fate of stem cells after intramyocardial delivery is unknown. We used noninvasive, repetitive PET/CT imaging with [(18F]FEAU to monitor the long-term (up to 5 months spatial-temporal dynamics of MSCs retrovirally transduced with the sr39HSV1-tk gene (sr39HSV1-tk-MSC and implanted intramyocardially in pigs with induced acute myocardial infarction. Repetitive [(18F]FEAU PET/CT revealed a biphasic pattern of sr39HSV1-tk-MSC dynamics; cell proliferation peaked at 33-35 days after injection, in periinfarct regions and the major cardiac lymphatic vessels and lymph nodes. The sr39HSV1-tk-MSC-associated [(18F]FEAU signals gradually decreased thereafter. Cardiac lymphography studies using PG-Gd-NIRF813 contrast for MRI and near-infrared fluorescence imaging showed rapid clearance of the contrast from the site of intramyocardial injection through the subepicardial lymphatic network into the lymphatic vessels and periaortic lymph nodes. Immunohistochemical analysis of cardiac tissue obtained at 35 and 150 days demonstrated several types of sr39HSV1-tk expressing cells, including fibro-myoblasts, lymphovascular cells, and microvascular and arterial endothelium. In summary, this study demonstrated the feasibility and sensitivity of [(18F]FEAU PET/CT imaging for long-term, in-vivo monitoring (up to 5 months of the fate of intramyocardially injected sr39HSV1-tk-MSC cells. Intramyocardially transplanted MSCs appear to integrate into the lymphatic endothelium and may help improve myocardial lymphatic system function after MI.

  6. Hanford Site Tank 241-C-108 Residual Waste Contaminant Release Models and Supporting Data

    Energy Technology Data Exchange (ETDEWEB)

    Cantrell, Kirk J.; Krupka, Kenneth M.; Geiszler, Keith N.; Arey, Bruce W.; Schaef, Herbert T.

    2010-06-18

    This report presents the results of laboratory characterization, testing, and analysis for a composite sample (designated 20578) of residual waste collected from single-shell tank C-108 during the waste retrieval process after modified sluicing. These studies were completed to characterize concentration and form of contaminant of interest in the residual waste; assess the leachability of contaminants from the solids; and develop release models for contaminants of interest. Because modified sluicing did not achieve 99% removal of the waste, it is expected that additional retrieval processing will take place. As a result, the sample analyzed here is not expected to represent final retrieval sample.

  7. Modeling and preliminary assessment of crude oil contaminated soil in Ogoni (Nigeria)

    Energy Technology Data Exchange (ETDEWEB)

    Thiergaertner, Hannes [Free Univ. Berlin (Germany). Faculty of Geosciences; Holtzmann, Kay

    2014-07-01

    In 2010, a severe contamination of soil and groundwater caused by the production and transportation of crude oil were detected in the Ogoni area, Federal Republic of Nigeria. A linear correlation between aliphatics and aromatics and the missing link between the degree of contamination and the depth of the soil samples indicate incomplete earlier remediation activities. 665 analyzed samples were mathematically reduced to 28 contamination patterns that can be distinguished by type and degree of pollution, environmentally assessed and visualized by a quasi 3-D model. Case studies taken from the Local Government Areas Eleme, Gokana, Khana, and Tai show the methodology and results.

  8. Experimental and AI-based numerical modeling of contaminant transport in porous media

    Science.gov (United States)

    Nourani, Vahid; Mousavi, Shahram; Sadikoglu, Fahreddin; Singh, Vijay P.

    2017-10-01

    This study developed a new hybrid artificial intelligence (AI)-meshless approach for modeling contaminant transport in porous media. The key innovation of the proposed approach is that both black box and physically-based models are combined for modeling contaminant transport. The effectiveness of the approach was evaluated using experimental and real world data. Artificial neural network (ANN) and adaptive neuro-fuzzy inference system (ANFIS) were calibrated to predict temporal contaminant concentrations (CCs), and the effect of noisy and de-noised data on the model performance was evaluated. Then, considering the predicted CCs at test points (TPs, in experimental study) and piezometers (in Myandoab plain) as interior conditions, the multiquadric radial basis function (MQ-RBF), as a meshless approach which solves partial differential equation (PDE) of contaminant transport in porous media, was employed to estimate the CC values at any point within the study area where there was no TP or piezometer. Optimal values of the dispersion coefficient in the advection-dispersion PDE and shape coefficient of MQ-RBF were determined using the imperialist competitive algorithm. In temporal contaminant transport modeling, de-noised data enhanced the performance of ANN and ANFIS methods in terms of the determination coefficient, up to 6 and 5%, respectively, in the experimental study and up to 39 and 18%, respectively, in the field study. Results showed that the efficiency of ANFIS-meshless model was more than ANN-meshless model up to 2 and 13% in the experimental and field studies, respectively.

  9. Inverse modeling of the biodegradation of emerging organic contaminants in the soil-plant system

    DEFF Research Database (Denmark)

    Hurtado, Carlos; Trapp, Stefan; Bayona, Josep M.

    2016-01-01

    Understanding the processes involved in the uptake and accumulation of organic contaminants into plants is very important to assess the possible human risk associated with. Biodegradation of emerging contaminants in plants has been observed, but kinetical studies are rare. In this study, we analyse...... experimental data on the uptake of emerging organic contaminants into lettuce derived in a greenhouse experiment. Measured soil, root and leaf concentrations from four contaminants were selected within the applicability domain of a steady-state two-compartment standard plant uptake model: bisphenol A (BPA......), carbamazepine (CBZ), triclosan (TCS) and caffeine (CAF). The model overestimated concentrations in most cases, when no degradation rates in plants were entered. Subsequently, biodegradation rates were fitted so that the measured concentrations were met.Obtained degradation kinetics are in the order, BPA

  10. Differential local tissue permissiveness influences the final fate of GPR17‐expressing oligodendrocyte precursors in two distinct models of demyelination

    Science.gov (United States)

    Coppolino, Giusy T.; Marangon, Davide; Negri, Camilla; Menichetti, Gianluca; Fumagalli, Marta; Gelosa, Paolo; Dimou, Leda; Furlan, Roberto; Lecca, Davide

    2018-01-01

    Abstract Promoting remyelination is recognized as a novel strategy to foster repair in neurodegenerative demyelinating diseases, such as multiple sclerosis. In this respect, the receptor GPR17, recently emerged as a new target for remyelination, is expressed by early oligodendrocyte precursors (OPCs) and after a certain differentiation stage it has to be downregulated to allow progression to mature myelinating oligodendrocytes. Here, we took advantage of the first inducible GPR17 reporter mouse line (GPR17‐iCreERT2xCAG‐eGFP mice) allowing to follow the final fate of GPR17+ cells by tamoxifen‐induced GFP‐labeling to unveil the destiny of these cells in two demyelination models: experimental autoimmune encephalomyelitis (EAE), characterized by marked immune cell activation and inflammation, and cuprizone induced demyelination, where myelin dysfunction is achieved by a toxic insult. In both models, demyelination induced a strong increase of fluorescent GFP+ cells at damaged areas. However, only in the cuprizone model reacting GFP+ cells terminally differentiated to mature oligodendrocytes, thus contributing to remyelination. In EAE, GFP+ cells were blocked at immature stages and never became myelinating oligodendrocytes. We suggest these strikingly distinct fates be due to different permissiveness of the local CNS environment. Based on previously reported GPR17 activation by emergency signals (e.g., Stromal Derived Factor‐1), we propose that a marked inflammatory milieu, such as that reproduced in EAE, induces GPR17 overactivation resulting in impaired downregulation, untimely and prolonged permanence in OPCs, leading, in turn, to differentiation blockade. Combined treatments with remyelinating agents and anti‐inflammatory drugs may represent new potential adequate strategies to halt neurodegeneration and foster recovery. PMID:29424466

  11. A model for the derivation of new transport limits for non-fixed contamination

    International Nuclear Information System (INIS)

    Thierfeldt, S.; Lorenz, B.; Hesse, J.

    2004-01-01

    The IAEA Regulations for the Safe Transport of Radioactive Material contain requirements for contamination limits on packages and conveyances used for the transport of radioactive material. Current contamination limits for packages and conveyances under routine transport conditions have been derived from a model proposed by Fairbairn more than 40 years ago. This model has proven effective if used with pragmatism, but is based on very conservative as well as extremely simple assumptions which is in no way appropriate any more and which is not compatible with ICRP recommendations regarding radiation protection standards. Therefore, a new model has now been developed which reflects all steps of the transport process. The derivation of this model has been fostered by the IAEA by initiating a Co-ordinated Research Project. The results of the calculations using this model could be directly applied as new nuclide specific transport limits for the non-fixed contamination

  12. Model Intercomparison Study to Investigate a Dense Contaminant Plume in a Complex Hydrogeologic System

    International Nuclear Information System (INIS)

    Williams, Mark D.; Cole, Charles R.; Foley, Michael G.; Zinina, Galina A.; Zinin, Alexander I.; Vasil'Kova, Nelly A.; Samsonova, Lilia M.

    2001-01-01

    A joint Russian and U.S. model intercomparison study was undertaken for developing more realistic contaminant transport models of the Mayak Site, Southern Urals. The test problems were developed by the Russian Team based on their experience modeling contaminant migration near Lake Karachai. The intercomparison problems were designed to address lake and contaminant plume interactions, as well as river interactions and plume density effects. Different numerical codes were used. Overall there is good agreement between the results of both models. Features shown by both models include (1) the sinking of the plume below the lake, (2) the raising of the water table in the fresh water adjacent to the lake in response to the increased pressure from the dense plume, and (3) the formation of a second sinking plume in an area where evapotranspiration exceeded infiltration, thus increasing the solute concentrations above the source (i.e., lake) values

  13. A model for the derivation of new transport limits for non-fixed contamination

    Energy Technology Data Exchange (ETDEWEB)

    Thierfeldt, S. [Brenk Systemplanung GmbH, Aachen (Germany); Lorenz, B. [GNS Gesellschaft fuer Nuklearservice, Essen (Germany); Hesse, J. [RWE Power AG, Essen (Germany)

    2004-07-01

    The IAEA Regulations for the Safe Transport of Radioactive Material contain requirements for contamination limits on packages and conveyances used for the transport of radioactive material. Current contamination limits for packages and conveyances under routine transport conditions have been derived from a model proposed by Fairbairn more than 40 years ago. This model has proven effective if used with pragmatism, but is based on very conservative as well as extremely simple assumptions which is in no way appropriate any more and which is not compatible with ICRP recommendations regarding radiation protection standards. Therefore, a new model has now been developed which reflects all steps of the transport process. The derivation of this model has been fostered by the IAEA by initiating a Co-ordinated Research Project. The results of the calculations using this model could be directly applied as new nuclide specific transport limits for the non-fixed contamination.

  14. Response of rainbow trout transcriptome to model chemical contaminants

    International Nuclear Information System (INIS)

    Koskinen, Heikki; Pehkonen, Petri; Vehniaeinen, Eeva; Krasnov, Aleksei; Rexroad, Caird; Afanasyev, Sergey; Moelsa, Hannu; Oikari, Aimo

    2004-01-01

    We used high-density cDNA microarray in studies of responses of rainbow trout fry at sublethal ranges of β-naphthoflavone, cadmium, carbon tetrachloride, and pyrene. The differentially expressed genes were grouped by the functional categories of Gene Ontology. Significantly different response to the studied compounds was shown by a number of classes, such as cell cycle, apoptosis, signal transduction, oxidative stress, subcellular and extracellular structures, protein biosynthesis, and modification. Cluster analysis separated responses to the contaminants at low and medium doses, whereas at high levels the adaptive reactions were masked with general unspecific response to toxicity. We found enhanced expression of many mitochondrial proteins as well as genes involved in metabolism of metal ions and protein biosynthesis. In parallel, genes related to stress and immune response, signal transduction, and nucleotide metabolism were down-regulated. We performed computer-assisted analyses of Medline abstracts retrieved for each compound, which helped us to indicate the expected and novel findings

  15. Modelling of flow and contaminant migration in single rock fractures

    International Nuclear Information System (INIS)

    Dahlblom, P.; Joensson, L.

    1990-03-01

    The report deals with flow and hydrodynamic dispersion of a nonreactive contaminant in a single, irregularly shaped fracture. The main purpose of the report is to describe the basis and development of a computational 'tool' for simulating the aperture geometry of a single fracture and the detailed flow in it. On the basis of this flow information further properties of the fracture can be studied. Some initial application to dispersion of a nonreactive contaminant are thus discussed. The spatial pattern of variation of the fracture aperture is considered as a two-dimensional stochastic process. A method for simulation of such a process is described. The stochastic properties can be chosen arbitrarily. It is assumed that the fracture aperture belongs to a log-normal distribution. For calculation of the flow pattern, the Navier-Stokes equations are simplified to describe low velocity and steady-state flow. These equations, and the continuity equation are integrated in the direction across the fracture plane. A stream function, which describes the integrated flow in the fracture, is defined. A second order partial differential equation, with respect to the stream function, is established and solved by the finite difference method. Isolines for the stream function define boundaries between channels with equal flow rates. The travel time for each channel can be calculated to achieve a measure of the dispersion. The impact of the aperture distribution on the ratio between the mass balance fracture aperture and the cubic law fracture aperture is shown by simple examples. (28 figs., 1 tab., 22 refs.)

  16. Model for evaluation of the radiological exposure in an urban environment after a radioactive contamination

    International Nuclear Information System (INIS)

    Rochedo, Elaine Rua Rodriguez

    1994-08-01

    A dynamic model aimed on the assessment of the long-term consequences of an accidental contamination of an urban environments has been developed. The model was designed to assess the radiation exposure, as a function of time, of the different kinds of people that uses the contaminated environment, the relative contribution of each exposure pathway and to simulate the application of countermeasures and its effects on the reduction of surfaces contamination and on the exposure of the individuals and of the population. The model is an empirical one, mainly based on environmental data gathered after the Chernobyl and Goiania accidents, and takes into account climatic and population habits characteristic of tropical areas. The model was applied here to a contamination with the radionuclide 137 Cs but can be easily adapted to other nuclides by changes on parameter values. An analysis of the variabilities associated to the model outputs regarding population habits, different kinds of urban environment and parameters uncertainty has shown that the main source of uncertainty on model predictions is associated to a correct knowledge of population characteristics, its habits and used of the contaminated environment. (author)

  17. Combined local and systemic antibiotic delivery improves eradication of wound contamination: An animal experimental model of contaminated fracture.

    Science.gov (United States)

    Rand, B C C; Penn-Barwell, J G; Wenke, J C

    2015-10-01

    Systemic antibiotics reduce infection in open fractures. Local delivery of antibiotics can provide higher doses to wounds without toxic systemic effects. This study investigated the effect on infection of combining systemic with local antibiotics via polymethylmethacrylate (PMMA) beads or gel delivery. An established Staphylococcus aureus contaminated fracture model in rats was used. Wounds were debrided and irrigated six hours after contamination and animals assigned to one of three groups, all of which received systemic antibiotics. One group had local delivery via antibiotic gel, another PMMA beads and the control group received no local antibiotics. After two weeks, bacterial levels were quantified. Combined local and systemic antibiotics were superior to systemic antibiotics alone at reducing the quantity of bacteria recoverable from each group (p = 0.002 for gel; p = 0.032 for beads). There was no difference in the bacterial counts between bead and gel delivery (p = 0.62). These results suggest that local antibiotics augment the antimicrobial effect of systemic antibiotics. Although no significant difference was found between vehicles, gel delivery offers technical advantages with its biodegradable nature, ability to conform to wound shape and to deliver increased doses. Further study is required to see if the gel delivery system has a clinical role. ©2015 The British Editorial Society of Bone & Joint Surgery.

  18. Development and evaluation of the microbial fate and transport module for the Agricultural Policy/Environmental eXtender (APEX) model

    Science.gov (United States)

    Microbial contamination of waters in agricultural watershed is the critical public health issue. The watershed-scale model has been proven to be one of the candidate tools for predicting microbial water quality and evaluating management practices. The Agricultural Policy/Environmental eXtender (APEX...

  19. Importance of exposure model in estimating impacts when a water distribution system is contaminated

    International Nuclear Information System (INIS)

    Davis, M. J.; Janke, R.; Environmental Science Division; USEPA

    2008-01-01

    The quantity of a contaminant ingested by individuals using tap water drawn from a water distribution system during a contamination event depends on the concentration of the contaminant in the water and the volume of water ingested. If the concentration varies with time, the actual time of exposure affects the quantity ingested. The influence of the timing of exposure and of individual variability in the volume of water ingested on estimated impacts for a contamination event has received limited attention. We examine the significance of ingestion timing and variability in the volume of water ingested by using a number of models for ingestion timing and volume. Contaminant concentrations were obtained from simulations of an actual distribution system for cases involving contaminant injections lasting from 1 to 24 h. We find that assumptions about exposure can significantly influence estimated impacts, especially when injection durations are short and impact thresholds are high. The influence of ingestion timing and volume should be considered when assessing impacts for contamination events

  20. Coupling a continuous watershed-scale microbial fate and transport model with a stochastic dose-response model to estimate risk of illness in an urban watershed

    Energy Technology Data Exchange (ETDEWEB)

    Liao, Hehuan, E-mail: hehuan86@vt.edu [Department of Biological Systems Engineering, Virginia Tech, 155 Ag Quad Lane, Blacksburg, VA 24061 (United States); Krometis, Leigh-Anne H. [Department of Biological Systems Engineering, Virginia Tech, 155 Ag Quad Lane, Blacksburg, VA 24061 (United States); Kline, Karen [Department of Biological Systems Engineering, Virginia Tech, 155 Ag Quad Lane, Blacksburg, VA 24061 (United States); Center for Watershed Studies, Virginia Tech, 155 Ag Quad Lane, Blacksburg, VA 24061 (United States)

    2016-05-01

    Within the United States, elevated levels of fecal indicator bacteria (FIB) remain the leading cause of surface water-quality impairments requiring formal remediation plans under the federal Clean Water Act's Total Maximum Daily Load (TMDL) program. The sufficiency of compliance with numerical FIB criteria as the targeted endpoint of TMDL remediation plans may be questionable given poor correlations between FIB and pathogenic microorganisms and varying degrees of risk associated with exposure to different fecal pollution sources (e.g. human vs animal). The present study linked a watershed-scale FIB fate and transport model with a dose-response model to continuously predict human health risks via quantitative microbial risk assessment (QMRA), for comparison to regulatory benchmarks. This process permitted comparison of risks associated with different fecal pollution sources in an impaired urban watershed in order to identify remediation priorities. Results indicate that total human illness risks were consistently higher than the regulatory benchmark of 36 illnesses/1000 people for the study watershed, even when the predicted FIB levels were in compliance with the Escherichia coli geometric mean standard of 126 CFU/100 mL. Sanitary sewer overflows were associated with the greatest risk of illness. This is of particular concern, given increasing indications that sewer leakage is ubiquitous in urban areas, yet not typically fully accounted for during TMDL development. Uncertainty analysis suggested the accuracy of risk estimates would be improved by more detailed knowledge of site-specific pathogen presence and densities. While previous applications of the QMRA process to impaired waterways have mostly focused on single storm events or hypothetical situations, the continuous modeling framework presented in this study could be integrated into long-term water quality management planning, especially the United States' TMDL program, providing greater clarity to

  1. Coupling a continuous watershed-scale microbial fate and transport model with a stochastic dose-response model to estimate risk of illness in an urban watershed

    International Nuclear Information System (INIS)

    Liao, Hehuan; Krometis, Leigh-Anne H.; Kline, Karen

    2016-01-01

    Within the United States, elevated levels of fecal indicator bacteria (FIB) remain the leading cause of surface water-quality impairments requiring formal remediation plans under the federal Clean Water Act's Total Maximum Daily Load (TMDL) program. The sufficiency of compliance with numerical FIB criteria as the targeted endpoint of TMDL remediation plans may be questionable given poor correlations between FIB and pathogenic microorganisms and varying degrees of risk associated with exposure to different fecal pollution sources (e.g. human vs animal). The present study linked a watershed-scale FIB fate and transport model with a dose-response model to continuously predict human health risks via quantitative microbial risk assessment (QMRA), for comparison to regulatory benchmarks. This process permitted comparison of risks associated with different fecal pollution sources in an impaired urban watershed in order to identify remediation priorities. Results indicate that total human illness risks were consistently higher than the regulatory benchmark of 36 illnesses/1000 people for the study watershed, even when the predicted FIB levels were in compliance with the Escherichia coli geometric mean standard of 126 CFU/100 mL. Sanitary sewer overflows were associated with the greatest risk of illness. This is of particular concern, given increasing indications that sewer leakage is ubiquitous in urban areas, yet not typically fully accounted for during TMDL development. Uncertainty analysis suggested the accuracy of risk estimates would be improved by more detailed knowledge of site-specific pathogen presence and densities. While previous applications of the QMRA process to impaired waterways have mostly focused on single storm events or hypothetical situations, the continuous modeling framework presented in this study could be integrated into long-term water quality management planning, especially the United States' TMDL program, providing greater clarity to watershed

  2. A nonequilibrium model for reactive contaminant transport through fractured porous media: Model development and semianalytical solution

    Science.gov (United States)

    Joshi, Nitin; Ojha, C. S. P.; Sharma, P. K.

    2012-10-01

    In this study a conceptual model that accounts for the effects of nonequilibrium contaminant transport in a fractured porous media is developed. Present model accounts for both physical and sorption nonequilibrium. Analytical solution was developed using the Laplace transform technique, which was then numerically inverted to obtain solute concentration in the fracture matrix system. The semianalytical solution developed here can incorporate both semi-infinite and finite fracture matrix extent. In addition, the model can account for flexible boundary conditions and nonzero initial condition in the fracture matrix system. The present semianalytical solution was validated against the existing analytical solutions for the fracture matrix system. In order to differentiate between various sorption/transport mechanism different cases of sorption and mass transfer were analyzed by comparing the breakthrough curves and temporal moments. It was found that significant differences in the signature of sorption and mass transfer exists. Applicability of the developed model was evaluated by simulating the published experimental data of Calcium and Strontium transport in a single fracture. The present model simulated the experimental data reasonably well in comparison to the model based on equilibrium sorption assumption in fracture matrix system, and multi rate mass transfer model.

  3. Modeling to Support Groundwater Contaminant Boundaries for the Shoal Underground Nuclear Test

    Energy Technology Data Exchange (ETDEWEB)

    K. Pohlmann; G. Pohll; J. Chapman; A. Hassan; R. Carroll; C. Shirley

    2004-03-01

    Groundwater flow and radionuclide transport at the Shoal underground nuclear test are characterized using three-dimensional numerical models, based on site-specific hydrologic data. The objective of this modeling is to provide the flow and transport models needed to develop a contaminant boundary defining the extent of radionuclide-contaminated groundwater at the site throughout 1,000 years at a prescribed level of confidence. This boundary will then be used to manage the Project Shoal Area for the protection of the public and the environment.

  4. Modeling Contamination Migration on the Chandra X-ray Observatory - II

    Science.gov (United States)

    O'Dell, Stephen L.; Swartz, Douglas A.; Tice, Neil W.; Plucinsky, Paul P.; Grant, Catherine E.; Marshall, Herman L.; Vikhlinin, Alexey A.; Tennant, Allyn F.

    2013-01-01

    During its first 14 years of operation, the cold (about -60C) optical blocking filter of the Advanced CCD Imaging Spectrometer (ACIS), aboard the Chandra X-ray Observatory, has accumulated a growing layer of molecular contamination that attenuates low-energy x rays. Over the past few years, the accumulation rate, spatial distribution, and composition have changed. This evolution has motivated further analysis of contamination migration within and near the ACIS cavity. To this end, the current study employs a higher-fidelity geometric model of the ACIS cavity, detailed thermal modeling based upon temperature data, and a refined model of the molecular transport.

  5. Unsaturated zone leaching models for assessing risk to groundwater of contaminated sites

    DEFF Research Database (Denmark)

    Troldborg, Mads; Binning, Philip John; Nielsen, Signe

    2009-01-01

    and aqueous phase contaminant transport equation. The equation has the same general form as the standard advection-diffusion equation for which many analytical solutions have been derived. Four new analytical solutions are developed using this approach: a three-dimensional solution accounting for infiltration......, lateral gas diffusion, sorption and degradation; a simple one-dimensional screening model, and two one-dimensional radial gas diffusion models for use in simulating volatile organic contaminant diffusion in unsaturated soils with an impermeable cover. The models show that both degradation and diffusion...

  6. Hanford tank residual waste - Contaminant source terms and release models

    International Nuclear Information System (INIS)

    Deutsch, William J.; Cantrell, Kirk J.; Krupka, Kenneth M.; Lindberg, Michael L.; Jeffery Serne, R.

    2011-01-01

    Highlights: → Residual waste from five Hanford spent fuel process storage tanks was evaluated. → Gibbsite is a common mineral in tanks with high Al concentrations. → Non-crystalline U-Na-C-O-P ± H phases are common in the U-rich residual. → Iron oxides/hydroxides have been identified in all residual waste samples. → Uranium release is highly dependent on waste and leachant compositions. - Abstract: Residual waste is expected to be left in 177 underground storage tanks after closure at the US Department of Energy's Hanford Site in Washington State, USA. In the long term, the residual wastes may represent a potential source of contamination to the subsurface environment. Residual materials that cannot be completely removed during the tank closure process are being studied to identify and characterize the solid phases and estimate the release of contaminants from these solids to water that might enter the closed tanks in the future. As of the end of 2009, residual waste from five tanks has been evaluated. Residual wastes from adjacent tanks C-202 and C-203 have high U concentrations of 24 and 59 wt.%, respectively, while residual wastes from nearby tanks C-103 and C-106 have low U concentrations of 0.4 and 0.03 wt.%, respectively. Aluminum concentrations are high (8.2-29.1 wt.%) in some tanks (C-103, C-106, and S-112) and relatively low ( 2 -saturated solution, or a CaCO 3 -saturated water. Uranium release concentrations are highly dependent on waste and leachant compositions with dissolved U concentrations one or two orders of magnitude higher in the tests with high U residual wastes, and also higher when leached with the CaCO 3 -saturated solution than with the Ca(OH) 2 -saturated solution. Technetium leachability is not as strongly dependent on the concentration of Tc in the waste, and it appears to be slightly more leachable by the Ca(OH) 2 -saturated solution than by the CaCO 3 -saturated solution. In general, Tc is much less leachable (<10 wt.% of the

  7. Demonstration of an Integrated Compliance Model for Predicting Copper Fate and Effects in DoD Harbors

    Science.gov (United States)

    2008-11-01

    seawater that does not include the natural ingredients that buffer the toxic effects of contaminants. As such, federal WQC could be overprotective ...regulation was overprotective (Earley et al., 2007). Implementation of a site-specific WQS in both cases could reduce the likelihood of TMDL actions...for site-specific factors that regulate bioavailability and toxicity, and thus are often overprotective (Seligman and Zirino, 1998; Zirino and

  8. A coupled classification - evolutionary optimization model for contamination event detection in water distribution systems.

    Science.gov (United States)

    Oliker, Nurit; Ostfeld, Avi

    2014-03-15

    This study describes a decision support system, alerts for contamination events in water distribution systems. The developed model comprises a weighted support vector machine (SVM) for the detection of outliers, and a following sequence analysis for the classification of contamination events. The contribution of this study is an improvement of contamination events detection ability and a multi-dimensional analysis of the data, differing from the parallel one-dimensional analysis conducted so far. The multivariate analysis examines the relationships between water quality parameters and detects changes in their mutual patterns. The weights of the SVM model accomplish two goals: blurring the difference between sizes of the two classes' data sets (as there are much more normal/regular than event time measurements), and adhering the time factor attribute by a time decay coefficient, ascribing higher importance to recent observations when classifying a time step measurement. All model parameters were determined by data driven optimization so the calibration of the model was completely autonomic. The model was trained and tested on a real water distribution system (WDS) data set with randomly simulated events superimposed on the original measurements. The model is prominent in its ability to detect events that were only partly expressed in the data (i.e., affecting only some of the measured parameters). The model showed high accuracy and better detection ability as compared to previous modeling attempts of contamination event detection. Copyright © 2013 Elsevier Ltd. All rights reserved.

  9. Grand challenge problems in environmental modeling and remediation: groundwater contaminant transport

    Energy Technology Data Exchange (ETDEWEB)

    Todd Arbogast; Steve Bryant; Clint N. Dawson; Mary F. Wheeler

    1998-08-31

    This report describes briefly the work of the Center for Subsurface Modeling (CSM) of the University of Texas at Austin (and Rice University prior to September 1995) on the Partnership in Computational Sciences Consortium (PICS) project entitled Grand Challenge Problems in Environmental Modeling and Remediation: Groundwater Contaminant Transport.

  10. Importance of hydrological parameters in contaminant transport modeling in a terrestrial environment

    International Nuclear Information System (INIS)

    Tsuduki, Katsunori; Matsunaga, Takeshi

    2007-01-01

    A grid type multi-layered distributed parameter model for calculating discharge in a watershed was described. Model verification with our field observation resulted in different sets of hydrological parameter values, all of which reproduced the observed discharge. The effect of those varied hydrological parameters on contaminant transport calculation was examined and discussed by simulation of event water transfer. (author)

  11. Modelling of electron contamination in clinical photon beams for Monte Carlo dose calculation

    International Nuclear Information System (INIS)

    Yang, J; Li, J S; Qin, L; Xiong, W; Ma, C-M

    2004-01-01

    The purpose of this work is to model electron contamination in clinical photon beams and to commission the source model using measured data for Monte Carlo treatment planning. In this work, a planar source is used to represent the contaminant electrons at a plane above the upper jaws. The source size depends on the dimensions of the field size at the isocentre. The energy spectra of the contaminant electrons are predetermined using Monte Carlo simulations for photon beams from different clinical accelerators. A 'random creep' method is employed to derive the weight of the electron contamination source by matching Monte Carlo calculated monoenergetic photon and electron percent depth-dose (PDD) curves with measured PDD curves. We have integrated this electron contamination source into a previously developed multiple source model and validated the model for photon beams from Siemens PRIMUS accelerators. The EGS4 based Monte Carlo user code BEAM and MCSIM were used for linac head simulation and dose calculation. The Monte Carlo calculated dose distributions were compared with measured data. Our results showed good agreement (less than 2% or 2 mm) for 6, 10 and 18 MV photon beams

  12. Hierarchical Bayesian models to assess between- and within-batch variability of pathogen contamination in food.

    Science.gov (United States)

    Commeau, Natalie; Cornu, Marie; Albert, Isabelle; Denis, Jean-Baptiste; Parent, Eric

    2012-03-01

    Assessing within-batch and between-batch variability is of major interest for risk assessors and risk managers in the context of microbiological contamination of food. For example, the ratio between the within-batch variability and the between-batch variability has a large impact on the results of a sampling plan. Here, we designed hierarchical Bayesian models to represent such variability. Compatible priors were built mathematically to obtain sound model comparisons. A numeric criterion is proposed to assess the contamination structure comparing the ability of the models to replicate grouped data at the batch level using a posterior predictive loss approach. Models were applied to two case studies: contamination by Listeria monocytogenes of pork breast used to produce diced bacon and contamination by the same microorganism on cold smoked salmon at the end of the process. In the first case study, a contamination structure clearly exists and is located at the batch level, that is, between batches variability is relatively strong, whereas in the second a structure also exists but is less marked. © 2012 Society for Risk Analysis.

  13. Field validation of the contaminant transport model, FEMA

    International Nuclear Information System (INIS)

    Wong, K.-F.V.

    1986-01-01

    The work describes the validation with field data of a finite element model of material transport through aquifers (FEMA). Field data from the Idaho Chemical Processing Plant, Idaho, USA and from the 58th Street landfill in Miami, Florida, USA are used. In both cases the model was first calibrated and then integrated over a span of eight years to check on the predictive capability of the model. Both predictive runs gave results that matched well with available data. (author)

  14. Comparison of Atmospheric Travel Distances of Several PAHs Calculated by Two Fate and Transport Models (The Tool and ELPOS with Experimental Values Derived from a Peat Bog Transect

    Directory of Open Access Journals (Sweden)

    Sabine Thuens

    2014-05-01

    Full Text Available Multimedia fate and transport models are used to evaluate the long range transport potential (LRTP of organic pollutants, often by calculating their characteristic travel distance (CTD. We calculated the CTD of several polycyclic aromatic hydrocarbons (PAHs and metals using two models: the OECD POV& LRTP Screening Tool (The Tool, and ELPOS. The absolute CTDs of PAHs estimated with the two models agree reasonably well for predominantly particle-bound congeners, while discrepancies are observed for more volatile congeners. We test the performance of the models by comparing the relative ranking of CTDs with the one of experimentally determined travel distances (ETDs. ETDs were estimated from historical deposition rates of pollutants to peat bogs in Eastern Canada. CTDs and ETDs of PAHs indicate a low LRTP. To eliminate the high influence on specific model assumptions and to emphasize the difference between the travel distances