WorldWideScience

Sample records for geochemical modeling codes

  1. Geochemical modelling of groundwater evolution using chemical equilibrium codes

    International Nuclear Information System (INIS)

    Pitkaenen, P.; Pirhonen, V.

    1991-01-01

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

  2. Geochemical computer codes. A review

    International Nuclear Information System (INIS)

    Andersson, K.

    1987-01-01

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

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

    International Nuclear Information System (INIS)

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

    1993-12-01

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

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

    International Nuclear Information System (INIS)

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

    1994-06-01

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

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

    International Nuclear Information System (INIS)

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

    1992-06-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1984-10-23

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

  7. Coupled geochemical and solute transport code development

    International Nuclear Information System (INIS)

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

    1985-01-01

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

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  9. Version 4. 00 of the MINTEQ geochemical code

    Energy Technology Data Exchange (ETDEWEB)

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

    1992-09-01

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

  10. Version 4.00 of the MINTEQ geochemical code

    Energy Technology Data Exchange (ETDEWEB)

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

    1992-09-01

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

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

    International Nuclear Information System (INIS)

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

    2013-01-01

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

  12. Geochemical modeling: a review

    International Nuclear Information System (INIS)

    Jenne, E.A.

    1981-06-01

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

  13. Geochemical modeling: a review

    Energy Technology Data Exchange (ETDEWEB)

    Jenne, E.A.

    1981-06-01

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

  14. Proceedings of the workshop on geochemical modeling

    International Nuclear Information System (INIS)

    1986-01-01

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

  15. Proceedings of the workshop on geochemical modeling

    Energy Technology Data Exchange (ETDEWEB)

    1986-01-01

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

  16. Coupling of transport and geochemical models

    International Nuclear Information System (INIS)

    Noy, D.J.

    1986-01-01

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

  17. Coupling of transport and geochemical models

    International Nuclear Information System (INIS)

    Noy, D.J.

    1985-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Delany, J.M.

    1985-11-25

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

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

    International Nuclear Information System (INIS)

    Delany, J.M.

    1985-01-01

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

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

    International Nuclear Information System (INIS)

    Puigdomenech, I.; Bruno, J.

    1988-01-01

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

  1. Geochemical modelling baseline compositions of groundwater

    DEFF Research Database (Denmark)

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

    2008-01-01

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

  2. Geochemical modelling: what phenomena are missing

    International Nuclear Information System (INIS)

    Jacquier, P.

    1989-12-01

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

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

    International Nuclear Information System (INIS)

    Brendler, V.

    2002-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-07-01

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

  5. Status report on geochemical modelling

    International Nuclear Information System (INIS)

    Read, D.

    1991-12-01

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

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

    International Nuclear Information System (INIS)

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

    1987-03-01

    The MINTEQ geochemical computer code, developed at the Pacific Northwest Laboratory (PNL), integrates many of the capabilities of its two immediate predecessors, MINEQL and WATEQ3. The MINTEQ code will be used in the Special Waste Form Lysimeters-Arid program to perform the calculations necessary to simulate (model) the contact of low-level waste solutions with heterogeneous sediments of the interaction of ground water with solidified low-level wastes. The code can calculate ion speciation/solubilitya, adsorption, oxidation-reduction, gas phase equilibria, and precipitation/dissolution of solid phases. Under the Special Waste Form Lysimeters-Arid program, the composition of effluents (leachates) from column and batch experiments, using laboratory-scale waste forms, will be used to develop a geochemical model of the interaction of ground water with commercial, solidified low-level wastes. The wastes being evaluated include power-reactor waste streams that have been solidified in cement, vinyl ester-styrene, and bitumen. The thermodynamic database for the code was upgraded preparatory to performing the geochemical modeling. Thermodynamic data for solid phases and aqueous species containing Sb, Ce, Cs, or Co were added to the MINTEQ database. The need to add these data was identified from the characterization of the waste streams. The geochemical model developed from the laboratory data will then be applied to predict the release from a field-lysimeter facility that contains full-scale waste samples. The contaminant concentrations migrating from the waste forms predicted using MINTEQ will be compared to the long-term lysimeter data. This comparison will constitute a partial field validation of the geochemical model

  7. Overview of the geochemical code MINTEQ: applications to performance assessment for low-level wastes

    International Nuclear Information System (INIS)

    Graham, M.J.; Peterson, S.R.

    1985-09-01

    The MINTEQ geochemical computer code, developed at Pacific Northwest Laboratory, integrates many of the capabilities of its two immediate predecessors, WATEQ3 and MINEQL. MINTEQ can be used to perform the calculations necessary to simulate (model) the contact of low-level waste solutions with heterogeneous sediments or the interaction of ground water with solidified low-level wastes. The code is capable of performing calculations of ion speciation/solubility, adsorption, oxidation-reduction, gas phase equilibria, and precipitation/dissolution of solid phases. Under the Special Waste Form Lysimeters-Arid program, the composition of effluents (leachates) from column and batch experiments, using laboratory-scale waste forms, will be used to develop a geochemical model of the interaction of ground water with commercial solidified low-level wastes. The wastes being evaluated include power reactor waste streams that have been solidified in cement, vinyl ester-styrene, and bitumen. The thermodynamic database for the code is being upgraded before the geochemical modeling is performed. Thermodynamic data for cobalt, antimony, cerium, and cesium solid phases and aqueous species are being added to the database. The need to add these data was identified from the characterization of the waste streams. The geochemical model developed from the laboratory data will then be applied to predict the release from a field-lysimeter facility that contains full-scale waste samples. The contaminant concentrations migrating from the wastes predicted using MINTEQ will be compared to the long-term lysimeter data. This comparison will constitute a partical field validation of the geochemical model. 28 refs

  8. Overview of geochemical modeling needs for nuclear waste management

    International Nuclear Information System (INIS)

    Isherwood, D.J.; Wolery, T.J.

    1985-01-01

    Geochemical modeling needs for nuclear waste management are discussed with an emphasis on data base development and computer code. Other areas for future research include: precipitation kinetics, fixed fugacity, sorption, glasslt. slashwater interactions, redox disequilibrium and kinetics, radiolysis, solid solutions, and isotopic fractionation. 15 references

  9. Geochemical modelling. Pt.1, Pt.2

    International Nuclear Information System (INIS)

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

    1992-01-01

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

  10. Modeling brine-rock interactions in an enhanced geothermal systemdeep fractured reservoir at Soultz-Sous-Forets (France): a joint approachusing two geochemical codes: frachem and toughreact

    Energy Technology Data Exchange (ETDEWEB)

    Andre, Laurent; Spycher, Nicolas; Xu, Tianfu; Vuataz,Francois-D.; Pruess, Karsten.

    2006-12-31

    The modeling of coupled thermal, hydrological, and chemical (THC) processes in geothermal systems is complicated by reservoir conditions such as high temperatures, elevated pressures and sometimes the high salinity of the formation fluid. Coupled THC models have been developed and applied to the study of enhanced geothermal systems (EGS) to forecast the long-term evolution of reservoir properties and to determine how fluid circulation within a fractured reservoir can modify its rock properties. In this study, two simulators, FRACHEM and TOUGHREACT, specifically developed to investigate EGS, were applied to model the same geothermal reservoir and to forecast reservoir evolution using their respective thermodynamic and kinetic input data. First, we report the specifics of each of these two codes regarding the calculation of activity coefficients, equilibrium constants and mineral reaction rates. Comparisons of simulation results are then made for a Soultz-type geothermal fluid (ionic strength {approx}1.8 molal), with a recent (unreleased) version of TOUGHREACT using either an extended Debye-Hueckel or Pitzer model for calculating activity coefficients, and FRACHEM using the Pitzer model as well. Despite somewhat different calculation approaches and methodologies, we observe a reasonably good agreement for most of the investigated factors. Differences in the calculation schemes typically produce less difference in model outputs than differences in input thermodynamic and kinetic data, with model results being particularly sensitive to differences in ion-interaction parameters for activity coefficient models. Differences in input thermodynamic equilibrium constants, activity coefficients, and kinetics data yield differences in calculated pH and in predicted mineral precipitation behavior and reservoir-porosity evolution. When numerically cooling a Soultz-type geothermal fluid from 200 C (initially equilibrated with calcite at pH 4.9) to 20 C and suppressing mineral

  11. Retention/sorption and geochemical modelling

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-07-01

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

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

    International Nuclear Information System (INIS)

    Jacquier, P.

    1988-10-01

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

  13. Development of TIGER code for radionuclide transport in a geochemically evolving region

    International Nuclear Information System (INIS)

    Mihara, Morihiro; Ooi, Takao

    2004-01-01

    In a transuranic (TRU) waste geological disposal facility, using cementitious materials is being considered. Cementitious materials will gradually dissolve in groundwater over the long-term. In the performance assessment report of a TRU waste repository in Japan already published, the most conservative radionuclide migration parameter set was selected considering the evolving cementitious material. Therefore, a tool to perform the calculation of radionuclide transport considering long-term geochemically evolving cementitious materials, named the TIGER code, Transport In Geochemically Evolving Region was developed to calculate a more realistic performance assessment. It can calculate radionuclide transport in engineered and natural barrier systems. In this report, mathematical equations of this code are described and validated with analytical solutions and results of other codes for radionuclide transport. The more realistic calculation of radionuclide transport for a TRU waste geological disposal system using the TIGER code could be performed. (author)

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

    International Nuclear Information System (INIS)

    Parkhust, David L.

    2005-01-01

    , solutions, phases, and lengths of character strings. A new equation solver that optimizes a set of equalities subject to both equality and inequality constraints is used to determine the thermodynamically stable set of phases in equilibrium with a solution. A more complete Newton-Raphson formulation, master-species switching, and scaling of the algebraic equations reduce the number of failures of the numerical method in PHREEQC relative to PHREEQE. PHRQCGRF is a separate code available for Windows 95 and MS-DOS that can be used to create a variety of graphs from the data generated by PHREEQC. The output data from PHREEQC may be plotted against distance, time, or other data listed in the PHREEQC selected output file, and a series of data versus distance graphs can be animated. PHRQCGRF can also extract the data of interest from the PHREEQC transport results and write the data sets to an external file. PHRQCGRF helps visualize PHREEQC transport output files generated by using the - SELECTED O UTPUT - keyword in a PHREEQC simulation. PHREEQC does not perform any geochemical modeling, but uses these files as the starting point for its various features. Once a file is specified, several options allow the user to choose exactly how to extract the data of interest. Data may be plotted against distance at a particular time, against time at a particular distance, against other data at a particular time or distance, or several data versus distance plots can be animated within a specified time interval. Additionally, results of PHREEQC transport simulations can be compared to measured field data, or PHREEQC simulations can be compared to other PHREEQC simulations. As an alternative to graphing, the extracted data sets may be written to an external file. Except for the extracting feature, the result of PHRQCGRF s data processing is the presentation of a graph reflecting the user s choices. PHRQCGRF also offers flexibility in how an extracted data set is displayed. Different features of

  15. The PHREEQE Geochemical equilibrium code data base and calculations

    International Nuclear Information System (INIS)

    Andersoon, K.

    1987-01-01

    Compilation of a thermodynamic data base for actinides and fission products for use with PHREEQE has begun and a preliminary set of actinide data has been tested for the PHREEQE code in a version run on an IBM XT computer. The work until now has shown that the PHREEQE code mostly gives satisfying results for specification of actinides in natural water environment. For U and Np under oxidizing conditions, however, the code has difficulties to converge with pH and Eh conserved when a solubility limit is applied. For further calculations of actinide and fission product specification and solubility in a waste repository and in the surrounding geosphere, more data are needed. It is necessary to evaluate the influence of the large uncertainties of some data. A quality assurance and a check on the consistency of the data base is also needed. Further work with data bases should include: an extension to fission products, an extension to engineering materials, an extension to other ligands than hydroxide and carbonate, inclusion of more mineral phases, inclusion of enthalpy data, a control of primary references in order to decide if values from different compilations are taken from the same primary reference and contacts and discussions with other groups, working with actinide data bases, e.g. at the OECD/NEA and at the IAEA. (author)

  16. Geochemical modeling of the nuclear-waste repository system. A status report

    International Nuclear Information System (INIS)

    Deutsch, W.J.

    1980-12-01

    The primary objective of the geochemical modeling task is to develop an understanding of the waste-repository geochemical system and provide a valuable tool for estimating future states of that system. There currently exists a variety of computer codes which can be used in geochemical modeling studies. Some available codes contain the framework for simulating a natural chemical system and estimating, within limits, the response of that system to environmental changes. By data-base enhancement and code development, this modeling technique can be even more usefully applied to a nuclear-waste repository. In particular, thermodynamic data on elements not presently in the data base but identified as being of particular hazard in the waste-repository system, need to be incorporated into the code to estimate the near-field as well as the far-field reactions during a hypothetical breach. A reaction-path-simulation code, which estimates the products of specific rock/water reactions, has been tested using basalt and ground water. Results show that the mass-transfer capabilities of the code will be useful in chemical-evolution studies and scenario analyses. The purpose of this report is to explain the status of geochemical modeling as it currently applies to the chemical system of a hypothetical nuclear-waste repository in basalt and to present the plan proposed for further developmet and application

  17. Contribution and limits of geochemical calculation codes to evaluate the long term behavior of nuclear waste glasses

    International Nuclear Information System (INIS)

    Fritz, B.; Crovisier, J.L.

    1997-01-01

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

  18. Geochemical modeling of magmatic gas scrubbing

    Directory of Open Access Journals (Sweden)

    B. Gambardella

    2005-06-01

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

  19. Uncertainty in reactive transport geochemical modelling

    International Nuclear Information System (INIS)

    Oedegaard-Jensen, A.; Ekberg, C.

    2005-01-01

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

  20. Hydrologic-geochemical modeling needs for nuclear waste disposal systems performance assessments from the NEA perspective

    International Nuclear Information System (INIS)

    Muller, A.B.

    1986-01-01

    Credible scenarios for releases from high level nuclear waste repositories require radionuclides to be mobilized and transported by ground water. The capability to predict ground water flow velocities and directions as well as radionuclide concentrations in the flow system as a function of time are essential for assessing the performance of disposal systems. The first of these parameters can be estimated by hydrologic modeling while the concentrations can be predicted by geochemical modeling. The complementary use of empirical and phenomenological approaches to the geochemical modeling, when effectively coupled with hydrologic models can provide the tools needed for realistic performance assessment. An overview of the activities of the NEA in this area, with emphasis on the geochemical data bases (ISIRS for Ksub(d) data and the thermochemical data base critical review), rock/water interaction modeling (code development and short-courses), and hydrologic-geochemical code coupling (workshop and in-house activities) is presented in this paper from the perspective of probabilistic risk assessment needs. (author)

  1. Geochemical Modeling of ILAW Lysimeter Water Extracts

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-12-22

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

  2. Geochemical controls on shale groundwaters: Results of reaction path modeling

    International Nuclear Information System (INIS)

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

    1989-03-01

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

  3. Comparison of thermodynamic databases used in geochemical modelling

    International Nuclear Information System (INIS)

    Chandratillake, M.R.; Newton, G.W.A.; Robinson, V.J.

    1988-05-01

    Four thermodynamic databases used by European groups for geochemical modelling have been compared. Thermodynamic data for both aqueous species and solid species have been listed. When the values are directly comparable any differences between them have been highlighted at two levels of significance. (author)

  4. Validation of the WATEQ4 geochemical model for uranium

    International Nuclear Information System (INIS)

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

    1983-09-01

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

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

    International Nuclear Information System (INIS)

    Coudrain-Ribstein, A.

    1985-01-01

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

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

    Science.gov (United States)

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

    2007-12-01

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

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

    International Nuclear Information System (INIS)

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

    1988-07-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1988-07-01

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

  9. Use of natural geochemical tracers to improve reservoir simulation models

    Energy Technology Data Exchange (ETDEWEB)

    Huseby, O.; Chatzichristos, C.; Sagen, J.; Muller, J.; Kleven, R.; Bennett, B.; Larter, S.; Stubos, A.K.; Adler, P.M.

    2005-01-01

    This article introduces a methodology for integrating geochemical data in reservoir simulations to improve hydrocarbon reservoir models. The method exploits routine measurements of naturally existing inorganic ion concentration in hydrocarbon reservoir production wells, and uses the ions as non-partitioning water tracers. The methodology is demonstrated on a North Sea field case, using the field's reservoir model, together with geochemical information (SO{sub 4}{sup 2}, Mg{sup 2+} K{sup +}, Ba{sup 2+}, Sr{sup 2+}, Ca{sup 2+}, Cl{sup -} concentrations) from the field's producers. From the data-set we show that some of the ions behave almost as ideal sea-water tracers, i.e. without sorption to the matrix, ion-exchange with the matrix or scale-formation with other ions in the formation water. Moreover, the dataset shows that ion concentrations in pure formation-water vary according to formation. This information can be used to allocate produced water to specific water-producing zones in commingled production. Based on an evaluation of the applicability of the available data, one inorganic component, SO{sub 4}{sup 2}, is used as a natural seawater tracer. Introducing SO{sub 4}{sup 2} as a natural tracer in a tracer simulation has revealed a potential for improvements of the reservoir model. By tracking the injected seawater it was possible to identify underestimated fault lengths in the reservoir model. The demonstration confirms that geochemical data are valuable additional information for reservoir characterization, and shows that integration of geochemical data into reservoir simulation procedures can improve reservoir simulation models. (author)

  10. Adaptive Multiscale Modeling of Geochemical Impacts on Fracture Evolution

    Science.gov (United States)

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

    2016-12-01

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

  11. Studies on DANESS Code Modeling

    International Nuclear Information System (INIS)

    Jeong, Chang Joon

    2009-09-01

    The DANESS code modeling study has been performed. DANESS code is widely used in a dynamic fuel cycle analysis. Korea Atomic Energy Research Institute (KAERI) has used the DANESS code for the Korean national nuclear fuel cycle scenario analysis. In this report, the important models such as Energy-demand scenario model, New Reactor Capacity Decision Model, Reactor and Fuel Cycle Facility History Model, and Fuel Cycle Model are investigated. And, some models in the interface module are refined and inserted for Korean nuclear fuel cycle model. Some application studies have also been performed for GNEP cases and for US fast reactor scenarios with various conversion ratios

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

    Energy Technology Data Exchange (ETDEWEB)

    Isherwood, D.; Wolery, T.

    1984-04-10

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

  13. Overview of geochemical modeling needs for nuclear waste management

    International Nuclear Information System (INIS)

    Isherwood, D.; Wolery, T.

    1984-01-01

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

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

    International Nuclear Information System (INIS)

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

    1983-08-01

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

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

    DEFF Research Database (Denmark)

    Muniruzzaman, Muhammad; Rolle, Massimo

    2016-01-01

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

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

    International Nuclear Information System (INIS)

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

    1990-01-01

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

  17. Geochemical modelling of the sorption of tetravalent radioelements

    International Nuclear Information System (INIS)

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

    1991-05-01

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

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

    Science.gov (United States)

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

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

    International Nuclear Information System (INIS)

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

    1982-09-01

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

  20. Cheetah: Starspot modeling code

    Science.gov (United States)

    Walkowicz, Lucianne; Thomas, Michael; Finkestein, Adam

    2014-12-01

    Cheetah models starspots in photometric data (lightcurves) by calculating the modulation of a light curve due to starspots. The main parameters of the program are the linear and quadratic limb darkening coefficients, stellar inclination, spot locations and sizes, and the intensity ratio of the spots to the stellar photosphere. Cheetah uses uniform spot contrast and the minimum number of spots needed to produce a good fit and ignores bright regions for the sake of simplicity.

  1. The aqueous solubility and speciation analysis for uranium, neptunium and selenium by the geochemical code(EQ3/6)

    International Nuclear Information System (INIS)

    Takeda, Seiji; Shima, Shigeki; Kimura, Hideo; Matsuzuru, Hideo

    1995-11-01

    The geochemical condition of a geologic disposal system of HLW controls the solubility and physicochemical forms of dominant aqueous species for elements, which are one of essential information required for safety assessment. Based on the measured compositions of groundwater, the compositions of groundwater in the disposal system were calculated. The solubility and speciation analyses for the polyvalent elements, uranium, neptunium, and selenium, were performed by the geochemical code EQ3/6. The results obtained were compared with the data appeared in the literatures on the solubilities and speciations. The geochemical behaviors of the elements with respect to the solubility and speciation could quantitatively be elucidated for the compositions of the interstitial waters in an engineered barrier and ground water in a natural barrier. In the pH range of neutral to alkali, the solubilities of U and Np tend to increase with an increase of the carbonate concentration in groundwater. This carbonate concentration dependence of the solubility was also estimated. In the engineered barrier the predominant aqueous species were specified, and in the natural barrier the change of aqueous species was also predicted while the chemical compositions changed from the reducing to oxidizing conditions. The dominant aqueous species for the elements, which migrate in and through the disposal system, were determined by the speciation analysis. (author)

  2. Geochemical isotope compartment model of the nitrogen cycle

    International Nuclear Information System (INIS)

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

    1981-01-01

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

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

    International Nuclear Information System (INIS)

    Ben Simon, R.

    2011-09-01

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

  4. Modeling Background Radiation in our Environment Using Geochemical Data

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-02-01

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

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

    International Nuclear Information System (INIS)

    Tripathi, V.S.

    1984-01-01

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

  6. Pump Component Model in SPACE Code

    International Nuclear Information System (INIS)

    Kim, Byoung Jae; Kim, Kyoung Doo

    2010-08-01

    This technical report describes the pump component model in SPACE code. A literature survey was made on pump models in existing system codes. The models embedded in SPACE code were examined to check the confliction with intellectual proprietary rights. Design specifications, computer coding implementation, and test results are included in this report

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

    International Nuclear Information System (INIS)

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

    2005-01-01

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

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

    International Nuclear Information System (INIS)

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

    2006-01-01

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

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

    Science.gov (United States)

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

    2010-09-01

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

  10. Geochemical mole-balance modeling with uncertain data

    Science.gov (United States)

    Parkhurst, David L.

    1997-01-01

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

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

    Science.gov (United States)

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

    2015-04-01

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

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

    International Nuclear Information System (INIS)

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

    2012-01-01

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

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

    International Nuclear Information System (INIS)

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

    2004-01-01

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

  14. User's manual for a process model code

    International Nuclear Information System (INIS)

    Kern, E.A.; Martinez, D.P.

    1981-03-01

    The MODEL code has been developed for computer modeling of materials processing facilities associated with the nuclear fuel cycle. However, it can also be used in other modeling applications. This report provides sufficient information for a potential user to apply the code to specific process modeling problems. Several examples that demonstrate most of the capabilities of the code are provided

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

    International Nuclear Information System (INIS)

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

    1993-01-01

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

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

    Science.gov (United States)

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

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

  17. Application of the ruthenium and technetium thermodynamic data bases used in the EQ3/6 geochemical codes

    International Nuclear Information System (INIS)

    Isherwood, D.

    1985-04-01

    Based on a critical review of the available thermodynamic data, computerized data bases for technetium and ruthenium were created for use with the EQ3/6 geochemical computer codes. The technetium data base contains thermodynamic data for 8 aqueous species and 15 solids; 26 aqueous species and 9 solids were included in the ruthenium data base. The EQ3NR code was used to calculate solubility limits for ruthenium (8 x 10 -16 M) in ground water from Yucca Mountain, a potential nuclear waste repository site near the Nevada Test Site (NTS). The code confirmed the essentially unlimited solubility of technetium in oxidizing conditions, such as those that are believed to exist in the unsaturated zone at Yucca Mountain and the Cambric Nuclear event site at the NTS. Ruthenium migration observed from the Cambric site was evaluated. The solubility limit for ruthenium (as the aqueous species RuO 4 - ) when constrained by RuO 2 is approximately equal to the concentration of ruthenium found in the cavity ground water (i.e., 2.1 x 10 -11 vs 4.5 x 10 -11 M). Differences in ruthenium solubility limits between Yucca Mountain and Cambric are primarily due to differences in ground-water pH. Technetium solubility (3 x 10 -8 M) for moderately reducing conditions (Eh = -0.1 V) using the metastable oxide, TcO 2 .2H 2 O, as the solubility constraint is within the range of experimental values recently published in a study of technetium sorption on basalt. Previously published technetium solubilities of 10 -12 to 10 -16 M were apparently based on a technetium data base that did not include aqueous species other than TcO 4 - . When TcO(OH) 2 0 is included in the data base, the calculated values are much closer to the experimental results. Eh-pH diagrams were also generated for a variety of conditions using the SOLUPLOT code

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

    Science.gov (United States)

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

    2017-12-01

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

  19. Impacts of Model Building Energy Codes

    Energy Technology Data Exchange (ETDEWEB)

    Athalye, Rahul A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Sivaraman, Deepak [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Elliott, Douglas B. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Liu, Bing [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Bartlett, Rosemarie [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2016-10-31

    The U.S. Department of Energy (DOE) Building Energy Codes Program (BECP) periodically evaluates national and state-level impacts associated with energy codes in residential and commercial buildings. Pacific Northwest National Laboratory (PNNL), funded by DOE, conducted an assessment of the prospective impacts of national model building energy codes from 2010 through 2040. A previous PNNL study evaluated the impact of the Building Energy Codes Program; this study looked more broadly at overall code impacts. This report describes the methodology used for the assessment and presents the impacts in terms of energy savings, consumer cost savings, and reduced CO2 emissions at the state level and at aggregated levels. This analysis does not represent all potential savings from energy codes in the U.S. because it excludes several states which have codes which are fundamentally different from the national model energy codes or which do not have state-wide codes. Energy codes follow a three-phase cycle that starts with the development of a new model code, proceeds with the adoption of the new code by states and local jurisdictions, and finishes when buildings comply with the code. The development of new model code editions creates the potential for increased energy savings. After a new model code is adopted, potential savings are realized in the field when new buildings (or additions and alterations) are constructed to comply with the new code. Delayed adoption of a model code and incomplete compliance with the code’s requirements erode potential savings. The contributions of all three phases are crucial to the overall impact of codes, and are considered in this assessment.

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

    International Nuclear Information System (INIS)

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

    1986-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1986-08-28

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

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

    Science.gov (United States)

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

    2011-12-01

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

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

    International Nuclear Information System (INIS)

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

    1996-01-01

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

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

    International Nuclear Information System (INIS)

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

    1989-01-01

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

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

    International Nuclear Information System (INIS)

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

    1990-01-01

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

  6. Manual hierarchical clustering of regional geochemical data using a Bayesian finite mixture model

    International Nuclear Information System (INIS)

    Ellefsen, Karl J.; Smith, David B.

    2016-01-01

    Interpretation of regional scale, multivariate geochemical data is aided by a statistical technique called “clustering.” We investigate a particular clustering procedure by applying it to geochemical data collected in the State of Colorado, United States of America. The clustering procedure partitions the field samples for the entire survey area into two clusters. The field samples in each cluster are partitioned again to create two subclusters, and so on. This manual procedure generates a hierarchy of clusters, and the different levels of the hierarchy show geochemical and geological processes occurring at different spatial scales. Although there are many different clustering methods, we use Bayesian finite mixture modeling with two probability distributions, which yields two clusters. The model parameters are estimated with Hamiltonian Monte Carlo sampling of the posterior probability density function, which usually has multiple modes. Each mode has its own set of model parameters; each set is checked to ensure that it is consistent both with the data and with independent geologic knowledge. The set of model parameters that is most consistent with the independent geologic knowledge is selected for detailed interpretation and partitioning of the field samples. - Highlights: • We evaluate a clustering procedure by applying it to geochemical data. • The procedure generates a hierarchy of clusters. • Different levels of the hierarchy show geochemical processes at different spatial scales. • The clustering method is Bayesian finite mixture modeling. • Model parameters are estimated with Hamiltonian Monte Carlo sampling.

  7. Application of the ruthenium and technetium thermodynamic data bases used in the EQ3/6 geochemical codes

    Energy Technology Data Exchange (ETDEWEB)

    Isherwood, D.

    1985-04-01

    Based on a critical review of the available thermodynamic data, computerized data bases for technetium and ruthenium were created for use with the EQ3/6 geochemical computer codes. The technetium data base contains thermodynamic data for 8 aqueous species and 15 solids; 26 aqueous species and 9 solids were included in the ruthenium data base. The EQ3NR code was used to calculate solubility limits for ruthenium (8 x 10{sup -16} M) in ground water from Yucca Mountain, a potential nuclear waste repository site near the Nevada Test Site (NTS). The code confirmed the essentially unlimited solubility of technetium in oxidizing conditions, such as those that are believed to exist in the unsaturated zone at Yucca Mountain and the Cambric Nuclear event site at the NTS. Ruthenium migration observed from the Cambric site was evaluated. The solubility limit for ruthenium (as the aqueous species RuO{sub 4}{sup -}) when constrained by RuO{sub 2} is approximately equal to the concentration of ruthenium found in the cavity ground water (i.e., 2.1 x 10{sup -11} vs 4.5 x 10{sup -11} M). Differences in ruthenium solubility limits between Yucca Mountain and Cambric are primarily due to differences in ground-water pH. Technetium solubility (3 x 10{sup -8} M) for moderately reducing conditions (Eh = -0.1 V) using the metastable oxide, TcO{sub 2}.2H{sub 2}O, as the solubility constraint is within the range of experimental values recently published in a study of technetium sorption on basalt. Previously published technetium solubilities of 10{sup -12} to 10{sup -16} M were apparently based on a technetium data base that did not include aqueous species other than TcO{sub 4}{sup -}. When TcO(OH){sub 2}{sup 0} is included in the data base, the calculated values are much closer to the experimental results. Eh-pH diagrams were also generated for a variety of conditions using the SOLUPLOT code.

  8. Modélisation thermodynamique et cinétique des réactions diagénétiques dans les bassins sédimentaires. Présentation du modèle géochimique KINDISP Thermodynamic and Kinetic Modelling of Diagenetic Reactions in Sedimentary Basins. Description of the Geochemical Code Kindisp

    Directory of Open Access Journals (Sweden)

    Clement A.

    2006-11-01

    processes are usually very complex which is the reason why geochemical models have been developed to understand and simulate the reactions occurring between a set of minerals constituting a rock and an aqueous solution at thermodynamic disequilibrium. An important theoretical work (Helgeson, 1968, based on the pioneering achievements by Garrels and Thompson (1962, made it possible, during the 1970's, to develop numerical models. The primary aim of these computer codes was to calculate the speciation of aqueous solutions and their equilibrium in relation to a mineral paragenesis: SOLMNEQ (Kharaka and Barnes, 1973, WATEQ (Truesdell and Jones, 1974; Plummer et al, 1976, EQUIL (Fritz, 1975, MINEQL (Westall et al. , 1976, EQ3NR (Wolery and Walters, 1975; Wolery, 1979, are all examples of this first generation of models. Starting with these geochemical models, which were based on purely thermodynamic laws and therefore did not consider the rate of chemical reactions, others were developed that charted the way in which a water/rock system evolved through a succession of states of equilibrium. The driving force of the reaction is the progressive variation of one constraint in the system, either through irreversible dissolution of reactants, e. g. the models PATH1 (Helgeson et al. , 1969, 1970, DISSOL (Fritz, 1975, 1981, PHREEQE (Parkhurst et al. , 1980, EQ3/6 (Wolery, 1983; Devaler and Wolery, 1989, SOLMINEQ88 (Perkins et aL, 1990 or through temperature variation, e. g. THERMAL (Fritz, 1981, PHRQINPT (Flemming and Plummer, 1983 or yet, through evaporation of the aqueous solution as in EVAPOR (Fritz, 1981. Thus, the first models were based on thermodynamic equations where the evolution of the system was mapped as a function of the degree of progress of the reaction noted dzeta. More recently, new models have appeared that take into account kinetic laws, thus making it possible to estimate the time of the water/rock interactions and of their return to equilibrium, e. g. EQ6 (Helgeson

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

    International Nuclear Information System (INIS)

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

    1998-01-01

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

  10. Fatigue modelling according to the JCSS Probabilistic model code

    NARCIS (Netherlands)

    Vrouwenvelder, A.C.W.M.

    2007-01-01

    The Joint Committee on Structural Safety is working on a Model Code for full probabilistic design. The code consists out of three major parts: Basis of design, Load Models and Models for Material and Structural Properties. The code is intended as the operational counter part of codes like ISO,

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

    International Nuclear Information System (INIS)

    Alcorn, S.; Christian-Frear, T.

    1992-02-01

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

  12. Basic concepts and formulations for isotope geochemical modelling of groundwater systems

    International Nuclear Information System (INIS)

    Kalin, R.M.

    1996-01-01

    This chapter describes the basic chemical principles and methodologies for geochemical models and their use in the field of isotope hydrology. Examples of calculation procedures are given on actual field data. Summary information on available PC software for geochemical modeling is included. The specific software, NETPATH, which can be used for chemical speciation, mass balance and isotope balance along a flow path in groundwater systems, is discussed at some length with an illustrative example of its application to field data. (author). Refs, 14 figs, 15 tabs

  13. Basic concepts and formulations for isotope geochemical modelling of groundwater systems

    Energy Technology Data Exchange (ETDEWEB)

    Kalin, R M [The Queen` s University, Belfast, Northern Ireland (United Kingdom). Dept. of Civil Engineering

    1996-10-01

    This chapter describes the basic chemical principles and methodologies for geochemical models and their use in the field of isotope hydrology. Examples of calculation procedures are given on actual field data. Summary information on available PC software for geochemical modeling is included. The specific software, NETPATH, which can be used for chemical speciation, mass balance and isotope balance along a flow path in groundwater systems, is discussed at some length with an illustrative example of its application to field data. (author). Refs, 14 figs, 15 tabs.

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

    Science.gov (United States)

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

    2016-07-01

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

  15. Coding with partially hidden Markov models

    DEFF Research Database (Denmark)

    Forchhammer, Søren; Rissanen, J.

    1995-01-01

    Partially hidden Markov models (PHMM) are introduced. They are a variation of the hidden Markov models (HMM) combining the power of explicit conditioning on past observations and the power of using hidden states. (P)HMM may be combined with arithmetic coding for lossless data compression. A general...... 2-part coding scheme for given model order but unknown parameters based on PHMM is presented. A forward-backward reestimation of parameters with a redefined backward variable is given for these models and used for estimating the unknown parameters. Proof of convergence of this reestimation is given....... The PHMM structure and the conditions of the convergence proof allows for application of the PHMM to image coding. Relations between the PHMM and hidden Markov models (HMM) are treated. Results of coding bi-level images with the PHMM coding scheme is given. The results indicate that the PHMM can adapt...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-11-15

    Research highlights: {yields} Major and trace elements along with strontium and uranium isotopic ratios show that groundwater geochemical characteristics along the saline plumes cannot reflect a conservative mixing. {yields} A coupled hydrogeochemical model demonstrates that cationic exchange between alkalis from polluted waters and alkaline-earth elements from montmorillonite present in the host rock of the aquifer is the primary process. {yields} The model requires only a small amount of montmorillonite. {yields} It is necessary to consider the pollution history to explain the important chloride, sodium and calcium concentration modifications. {yields} The model shows that the rapidity of the cationic exchange reactions insures a reversibility of the cation fixation on clays in the aquifer. - Abstract: In the southern Upper Rhine Valley, groundwater has undergone intensive saline pollution caused by the infiltration of mining brines, a consequence of potash extraction carried out during the 20th century. Major and trace elements along with Sr and U isotopic ratios show that groundwater geochemical characteristics along the saline plumes cannot reflect conservative mixing between saline waters resulting from the dissolution of waste heaps and one or more unpolluted end-members. The results imply the occurrence of interactions between host rocks and polluted waters, and they suggest that cationic exchange mechanisms are the primary controlling process. A coupled hydrogeochemical model has been developed with the numerical code KIRMAT, which demonstrates that cationic exchange between alkalis from polluted waters and alkaline-earth elements from montmorillonite present in the host rock of the aquifer is the primary process controlling the geochemical evolution of the groundwater. The model requires only a small amount of montmorillonite (between 0.75% and 2.25%), which is in agreement with the observed mineralogical composition of the aquifer. The model also proves

  17. Genetic coding and gene expression - new Quadruplet genetic coding model

    Science.gov (United States)

    Shankar Singh, Rama

    2012-07-01

    Successful demonstration of human genome project has opened the door not only for developing personalized medicine and cure for genetic diseases, but it may also answer the complex and difficult question of the origin of life. It may lead to making 21st century, a century of Biological Sciences as well. Based on the central dogma of Biology, genetic codons in conjunction with tRNA play a key role in translating the RNA bases forming sequence of amino acids leading to a synthesized protein. This is the most critical step in synthesizing the right protein needed for personalized medicine and curing genetic diseases. So far, only triplet codons involving three bases of RNA, transcribed from DNA bases, have been used. Since this approach has several inconsistencies and limitations, even the promise of personalized medicine has not been realized. The new Quadruplet genetic coding model proposed and developed here involves all four RNA bases which in conjunction with tRNA will synthesize the right protein. The transcription and translation process used will be the same, but the Quadruplet codons will help overcome most of the inconsistencies and limitations of the triplet codes. Details of this new Quadruplet genetic coding model and its subsequent potential applications including relevance to the origin of life will be presented.

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

    NARCIS (Netherlands)

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

    2014-01-01

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

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

    International Nuclear Information System (INIS)

    Pearson, F.J. Jr.

    1985-01-01

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

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

    CSIR Research Space (South Africa)

    Masindi, Vhahangwele

    2015-11-01

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

  1. Transmutation Fuel Performance Code Thermal Model Verification

    Energy Technology Data Exchange (ETDEWEB)

    Gregory K. Miller; Pavel G. Medvedev

    2007-09-01

    FRAPCON fuel performance code is being modified to be able to model performance of the nuclear fuels of interest to the Global Nuclear Energy Partnership (GNEP). The present report documents the effort for verification of the FRAPCON thermal model. It was found that, with minor modifications, FRAPCON thermal model temperature calculation agrees with that of the commercial software ABAQUS (Version 6.4-4). This report outlines the methodology of the verification, code input, and calculation results.

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

    Science.gov (United States)

    De Lucia, Marco; Kühn, Michael

    2013-04-01

    PHREEQC [1] is a widely used non-interactive open source software for speciation, batch-reactions, one-dimensional transport, and inverse geochemical caclulations. It represents the tool of choice for many researchers and practicioners for a broad set of geochemical problems, underground CO2 storage among others. Its open source nature, the flexibility to program arbitrary kinetic laws for the chemical reactions, as well as a thorough implementation of the Pitzer formalism explain its success and longevity. However, its non-interactive architecture make it cumbersome to couple PHREEQC to transport programs to achieve reactive transport simulations [2], but also to overcome the limitations of PHREEQC itself regarding the setup of large numbers of simulations - for example exploring wide ranges of conditions - and the graphical evaluation of the results. This has been the main motivation leading to the development of an interface with the high level language and environment for statistical computing and graphics GNU R [3]. The interface consists of minor modifications in PHREEQC's C source code, only affecting data I/O, plus on the R side a bunch of helper functions used to setup the simulations - basically automated manipulation of PHREEQC's input files, which are text files - and to collect and visualize the results. The most relevant subset of PHREEQC's capabilities and features are fully usable through the interface. Illustratory examples for the utility of this programmable interface were given in the framework of the research project this developement originated from: CLEAN [4], a project investigating the feasibility of enhanced gas recovery combined with CO2 storage. This interface allowed us to successfully and easily manipulate, compare and refit chemical databases, perform sensitivity analysis by combinatory variations of parameters, and all that in an environment which is both scriptable and interactive, with all results directly available for further

  3. Improvement of MARS code reflood model

    International Nuclear Information System (INIS)

    Hwang, Moonkyu; Chung, Bub-Dong

    2011-01-01

    A specifically designed heat transfer model for the reflood process which normally occurs at low flow and low pressure was originally incorporated in the MARS code. The model is essentially identical to that of the RELAP5/MOD3.3 code. The model, however, is known to have under-estimated the peak cladding temperature (PCT) with earlier turn-over. In this study, the original MARS code reflood model is improved. Based on the extensive sensitivity studies for both hydraulic and wall heat transfer models, it is found that the dispersed flow film boiling (DFFB) wall heat transfer is the most influential process determining the PCT, whereas the interfacial drag model most affects the quenching time through the liquid carryover phenomenon. The model proposed by Bajorek and Young is incorporated for the DFFB wall heat transfer. Both space grid and droplet enhancement models are incorporated. Inverted annular film boiling (IAFB) is modeled by using the original PSI model of the code. The flow transition between the DFFB and IABF, is modeled using the TRACE code interpolation. A gas velocity threshold is also added to limit the top-down quenching effect. Assessment calculations are performed for the original and modified MARS codes for the Flecht-Seaset test and RBHT test. Improvements are observed in terms of the PCT and quenching time predictions in the Flecht-Seaset assessment. In case of the RBHT assessment, the improvement over the original MARS code is found marginal. A space grid effect, however, is clearly seen from the modified version of the MARS code. (author)

  4. Data Qualification Report For: Thermodynamic Data File, DATA0.YMP.R0 For Geochemical Code, EQ3/6?

    International Nuclear Information System (INIS)

    P.L. Cloke

    2000-09-01

    The objective of this work is to evaluate the adequacy of chemical thermodynamic data provided by Lawrence Livermore National Laboratory (LLNL) as DataO.ymp.ROA in response to an input request submitted under AP-3.14Q. This request specified that chemical thermodynamic data available in the file, Data0.com.R2, be updated, improved, and augmented for use in geochemical modeling used in Process Model Reports (PMRs) for Engineered Barrier Systems, Waste Form, Waste Package, Unsaturated Zone, and Near Field Environment, as well as for Performance Assessment. The data are qualified in the temperature range 0 to 100 C. Several Data Tracking Numbers (DTNs) associated with Analysis/Model Reports (AMR) addressing various aspects of the post-closure chemical behavior of the waste package and the Engineered Barrier System that rely on EQ316 outputs to which these data are used as input, are Principal Factor affecting. This qualification activity was accomplished in accordance with the AP-SIII.2Q using the Technical Assessment method. A development plan, TDP-EBS-MD-000044, was prepared in accordance with AP-2.13Q and approved by the Responsible Manager. In addition, a Process Control Evaluation was performed in accordance with AP-SV.1Q. The qualification method, selected in accordance with AP-SIII.2Q, was Technical Assessment. The rationale for this approach is that the data in File Data0.com.R2 are considered Handbook data and therefore do not themselves require qualification. Only changes to Data0.com.R2 required qualification. A new file has been produced which contains the database Data0.ymp.R0, which is recommended for qualification as a result of this action. Data0.ymp.R0 will supersede Data0.com.R2 for all Yucca Mountain Project (YMP) activities

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

    International Nuclear Information System (INIS)

    Van der Lee, Jan

    1997-01-01

    CHESS, a complete geochemical model, especially developed for coupling purposes in a transparent manner with transport codes. The second topic concerns the development of a probabilistic theory for colloid retention, as well as for the kinetics involved in the reaction. The proposed theory seem to be robust, predicts correctly the impact of System parameters such as pH, ionic strength and colloid size, and is applicable to real Systems, at least at the scale of laboratory experiments. The thesis also presents the theory of adsorption kinetics. This theory is more rigorous than the theories available in the literature, and applies for porous as well as fractured media. A comparison with models provided by the literature and with experimental data seems to confirm the correctness of the theory. The third topic involves reactive transport modelling of chemical species and colloids and has lead to the development of a new transport model, HYTEC. This tool includes convective-diffusive-dispersive transport of colloids, aqueous species and gases, calculates the thermodynamic equilibrium state of the solution and incorporates the newly developed theory of colloid retention. As far as we know, this is the first model which integrates colloids as well as the complete geochemistry in a transport model. Resuming, this work shows the importance of the adsorption capacity of most of the natural colloids with respect to actinides, such as uranium, americium and europium. The complexation capacity of organic colloids is even greater than that of inorganic colloids, such as silica, clays and hydrous ferric oxide. This study also indicates that colloids are capable of keeping the radioactive load during their journey through the geological medium, even if the complexing affinity of the medium is much stronger than of the colloids. Accordingly, colloids may act as a very rapid transport vehicle for radionuclides, provided they are chemically and electrostatically stable in suspension

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

    International Nuclear Information System (INIS)

    Kirste, D.

    2008-01-01

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

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

    International Nuclear Information System (INIS)

    McKinley, I.G.

    1985-01-01

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

  8. Steam condensation modelling in aerosol codes

    International Nuclear Information System (INIS)

    Dunbar, I.H.

    1986-01-01

    The principal subject of this study is the modelling of the condensation of steam into and evaporation of water from aerosol particles. These processes introduce a new type of term into the equation for the development of the aerosol particle size distribution. This new term faces the code developer with three major problems: the physical modelling of the condensation/evaporation process, the discretisation of the new term and the separate accounting for the masses of the water and of the other components. This study has considered four codes which model the condensation of steam into and its evaporation from aerosol particles: AEROSYM-M (UK), AEROSOLS/B1 (France), NAUA (Federal Republic of Germany) and CONTAIN (USA). The modelling in the codes has been addressed under three headings. These are the physical modelling of condensation, the mathematics of the discretisation of the equations, and the methods for modelling the separate behaviour of different chemical components of the aerosol. The codes are least advanced in area of solute effect modelling. At present only AEROSOLS/B1 includes the effect. The effect is greater for more concentrated solutions. Codes without the effect will be more in error (underestimating the total airborne mass) the less condensation they predict. Data are needed on the water vapour pressure above concentrated solutions of the substances of interest (especially CsOH and CsI) if the extent to which aerosols retain water under superheated conditions is to be modelled. 15 refs

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

    International Nuclear Information System (INIS)

    Kienzler, B.

    2000-01-01

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

  10. Economic aspects and models for building codes

    DEFF Research Database (Denmark)

    Bonke, Jens; Pedersen, Dan Ove; Johnsen, Kjeld

    It is the purpose of this bulletin to present an economic model for estimating the consequence of new or changed building codes. The object is to allow comparative analysis in order to improve the basis for decisions in this field. The model is applied in a case study.......It is the purpose of this bulletin to present an economic model for estimating the consequence of new or changed building codes. The object is to allow comparative analysis in order to improve the basis for decisions in this field. The model is applied in a case study....

  11. Modeling report of DYMOND code (DUPIC version)

    International Nuclear Information System (INIS)

    Park, Joo Hwan; Yacout, Abdellatif M.

    2003-04-01

    The DYMOND code employs the ITHINK dynamic modeling platform to assess the 100-year dynamic evolution scenarios for postulated global nuclear energy parks. Firstly, DYMOND code has been developed by ANL(Argonne National Laboratory) to perform the fuel cycle analysis of LWR once-through and LWR-FBR mixed plant. Since the extensive application of DYMOND code has been requested, the first version of DYMOND has been modified to adapt the DUPIC, MSR and RTF fuel cycle. DYMOND code is composed of three parts; the source language platform, input supply and output. But those platforms are not clearly distinguished. This report described all the equations which were modeled in the modified DYMOND code (which is called as DYMOND-DUPIC version). It divided into five parts;Part A deals model in reactor history which is included amount of the requested fuels and spent fuels. Part B aims to describe model of fuel cycle about fuel flow from the beginning to the end of fuel cycle. Part C is for model in re-processing which is included recovery of burned uranium, plutonium, minor actinide and fission product as well as the amount of spent fuels in storage and disposal. Part D is for model in other fuel cycle which is considered the thorium fuel cycle for MSR and RTF reactor. Part E is for model in economics. This part gives all the information of cost such as uranium mining cost, reactor operating cost, fuel cost etc

  12. Modeling report of DYMOND code (DUPIC version)

    Energy Technology Data Exchange (ETDEWEB)

    Park, Joo Hwan [KAERI, Taejon (Korea, Republic of); Yacout, Abdellatif M [Argonne National Laboratory, Ilinois (United States)

    2003-04-01

    The DYMOND code employs the ITHINK dynamic modeling platform to assess the 100-year dynamic evolution scenarios for postulated global nuclear energy parks. Firstly, DYMOND code has been developed by ANL(Argonne National Laboratory) to perform the fuel cycle analysis of LWR once-through and LWR-FBR mixed plant. Since the extensive application of DYMOND code has been requested, the first version of DYMOND has been modified to adapt the DUPIC, MSR and RTF fuel cycle. DYMOND code is composed of three parts; the source language platform, input supply and output. But those platforms are not clearly distinguished. This report described all the equations which were modeled in the modified DYMOND code (which is called as DYMOND-DUPIC version). It divided into five parts;Part A deals model in reactor history which is included amount of the requested fuels and spent fuels. Part B aims to describe model of fuel cycle about fuel flow from the beginning to the end of fuel cycle. Part C is for model in re-processing which is included recovery of burned uranium, plutonium, minor actinide and fission product as well as the amount of spent fuels in storage and disposal. Part D is for model in other fuel cycle which is considered the thorium fuel cycle for MSR and RTF reactor. Part E is for model in economics. This part gives all the information of cost such as uranium mining cost, reactor operating cost, fuel cost etc.

  13. High burnup models in computer code fair

    Energy Technology Data Exchange (ETDEWEB)

    Dutta, B K; Swami Prasad, P; Kushwaha, H S; Mahajan, S C; Kakodar, A [Bhabha Atomic Research Centre, Bombay (India)

    1997-08-01

    An advanced fuel analysis code FAIR has been developed for analyzing the behavior of fuel rods of water cooled reactors under severe power transients and high burnups. The code is capable of analyzing fuel pins of both collapsible clad, as in PHWR and free standing clad as in LWR. The main emphasis in the development of this code is on evaluating the fuel performance at extended burnups and modelling of the fuel rods for advanced fuel cycles. For this purpose, a number of suitable models have been incorporated in FAIR. For modelling the fission gas release, three different models are implemented, namely Physically based mechanistic model, the standard ANS 5.4 model and the Halden model. Similarly the pellet thermal conductivity can be modelled by the MATPRO equation, the SIMFUEL relation or the Halden equation. The flux distribution across the pellet is modelled by using the model RADAR. For modelling pellet clad interaction (PCMI)/ stress corrosion cracking (SCC) induced failure of sheath, necessary routines are provided in FAIR. The validation of the code FAIR is based on the analysis of fuel rods of EPRI project ``Light water reactor fuel rod modelling code evaluation`` and also the analytical simulation of threshold power ramp criteria of fuel rods of pressurized heavy water reactors. In the present work, a study is carried out by analysing three CRP-FUMEX rods to show the effect of various combinations of fission gas release models and pellet conductivity models, on the fuel analysis parameters. The satisfactory performance of FAIR may be concluded through these case studies. (author). 12 refs, 5 figs.

  14. High burnup models in computer code fair

    International Nuclear Information System (INIS)

    Dutta, B.K.; Swami Prasad, P.; Kushwaha, H.S.; Mahajan, S.C.; Kakodar, A.

    1997-01-01

    An advanced fuel analysis code FAIR has been developed for analyzing the behavior of fuel rods of water cooled reactors under severe power transients and high burnups. The code is capable of analyzing fuel pins of both collapsible clad, as in PHWR and free standing clad as in LWR. The main emphasis in the development of this code is on evaluating the fuel performance at extended burnups and modelling of the fuel rods for advanced fuel cycles. For this purpose, a number of suitable models have been incorporated in FAIR. For modelling the fission gas release, three different models are implemented, namely Physically based mechanistic model, the standard ANS 5.4 model and the Halden model. Similarly the pellet thermal conductivity can be modelled by the MATPRO equation, the SIMFUEL relation or the Halden equation. The flux distribution across the pellet is modelled by using the model RADAR. For modelling pellet clad interaction (PCMI)/ stress corrosion cracking (SCC) induced failure of sheath, necessary routines are provided in FAIR. The validation of the code FAIR is based on the analysis of fuel rods of EPRI project ''Light water reactor fuel rod modelling code evaluation'' and also the analytical simulation of threshold power ramp criteria of fuel rods of pressurized heavy water reactors. In the present work, a study is carried out by analysing three CRP-FUMEX rods to show the effect of various combinations of fission gas release models and pellet conductivity models, on the fuel analysis parameters. The satisfactory performance of FAIR may be concluded through these case studies. (author). 12 refs, 5 figs

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

    International Nuclear Information System (INIS)

    Carnahan, C.L.

    1989-10-01

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

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

    International Nuclear Information System (INIS)

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

    2010-01-01

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

  17. Models and applications of the UEDGE code

    International Nuclear Information System (INIS)

    Rensink, M.E.; Knoll, D.A.; Porter, G.D.; Rognlien, T.D.; Smith, G.R.; Wising, F.

    1996-09-01

    The transport of particles and energy from the core of a tokamak to nearby material surfaces is an important problem for understanding present experiments and for designing reactor-grade devices. A number of fluid transport codes have been developed to model the plasma in the edge and scrape-off layer (SOL) regions. This report will focus on recent model improvements and illustrative results from the UEDGE code. Some geometric and mesh considerations are introduced, followed by a general description of the plasma and neutral fluid models. A few comments on computational issues are given and then two important applications are illustrated concerning benchmarking and the ITER radiative divertor. Finally, we report on some recent work to improve the models in UEDGE by coupling to a Monte Carlo neutrals code and by utilizing an adaptive grid

  18. The nuclear reaction model code MEDICUS

    International Nuclear Information System (INIS)

    Ibishia, A.I.

    2008-01-01

    The new computer code MEDICUS has been used to calculate cross sections of nuclear reactions. The code, implemented in MATLAB 6.5, Mathematica 5, and Fortran 95 programming languages, can be run in graphical and command line mode. Graphical User Interface (GUI) has been built that allows the user to perform calculations and to plot results just by mouse clicking. The MS Windows XP and Red Hat Linux platforms are supported. MEDICUS is a modern nuclear reaction code that can compute charged particle-, photon-, and neutron-induced reactions in the energy range from thresholds to about 200 MeV. The calculation of the cross sections of nuclear reactions are done in the framework of the Exact Many-Body Nuclear Cluster Model (EMBNCM), Direct Nuclear Reactions, Pre-equilibrium Reactions, Optical Model, DWBA, and Exciton Model with Cluster Emission. The code can be used also for the calculation of nuclear cluster structure of nuclei. We have calculated nuclear cluster models for some nuclei such as 177 Lu, 90 Y, and 27 Al. It has been found that nucleus 27 Al can be represented through the two different nuclear cluster models: 25 Mg + d and 24 Na + 3 He. Cross sections in function of energy for the reaction 27 Al( 3 He,x) 22 Na, established as a production method of 22 Na, are calculated by the code MEDICUS. Theoretical calculations of cross sections are in good agreement with experimental results. Reaction mechanisms are taken into account. (author)

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

  20. RCS modeling with the TSAR FDTD code

    Energy Technology Data Exchange (ETDEWEB)

    Pennock, S.T.; Ray, S.L.

    1992-03-01

    The TSAR electromagnetic modeling system consists of a family of related codes that have been designed to work together to provide users with a practical way to set up, run, and interpret the results from complex 3-D finite-difference time-domain (FDTD) electromagnetic simulations. The software has been in development at the Lawrence Livermore National Laboratory (LLNL) and at other sites since 1987. Active internal use of the codes began in 1988 with limited external distribution and use beginning in 1991. TSAR was originally developed to analyze high-power microwave and EMP coupling problems. However, the general-purpose nature of the tools has enabled us to use the codes to solve a broader class of electromagnetic applications and has motivated the addition of new features. In particular a family of near-to-far field transformation routines have been added to the codes, enabling TSAR to be used for radar-cross section and antenna analysis problems.

  1. MELCOR code modeling for APR1400

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Young; Park, S. Y.; Kim, D. H.; Ahn, K. I.; Song, Y. M.; Kim, S. D.; Park, J. H

    2001-11-01

    The severe accident phenomena of nuclear power plant have large uncertainties. For the retention of the containment integrity and improvement of nuclear reactor safety against severe accident, it is essential to understand severe accident phenomena and be able to access the accident progression accurately using computer code. Furthermore, it is important to attain a capability for developing technique and assessment tools for an advanced nuclear reactor design as well as for the severe accident prevention and mitigation. The objective of this report is to establish technical bases for an application of the MELCOR code to the Korean Next Generation Reactor (APR1400) by modeling the plant and analyzing plant steady state. This report shows the data and the input preparation for MELCOR code as well as state-state assessment results using MELCOR code.

  2. Geochemical modelling of the groundwater at the Olkiluoto site

    International Nuclear Information System (INIS)

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

    1994-04-01

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

  3. Geochemical and numerical modelling of interactions between solid solutions and an aqueous solution. Extension of a reactive transport computer code called Archimede and application to reservoirs diagenesis; Modelisation geochimique et numerique des interactions entre des solutions solides et une solution aqueuse: extension du logiciel de reaction-transport archimede et application a la diagenese des reservoirs

    Energy Technology Data Exchange (ETDEWEB)

    Nourtier-Mazauric, E.

    2003-03-15

    This thesis presents a thermodynamic and kinetic model of interactions between a fluid and ideal solid solutions represented by several end-members. The reaction between a solid solution and the aqueous solution results from the competition between the stoichiometric dissolution of the initial solid solution and the co-precipitation of the least soluble solid solution in the fluid at considered time. This model was implemented in ARCHIMEDE, a computer code of reactive transport in porous media, then applied to various examples. In the case of binary solid solutions, a graphical method allowed to determine the compositions of the precipitating solid solutions, with the aid of the end-member chemical potentials. The obtained program could be used to notably model the diagenesis of clayey or carbonated oil reservoirs, or the ground pollutant dispersion. (author)

  4. ITER Dynamic Tritium Inventory Modeling Code

    International Nuclear Information System (INIS)

    Cristescu, Ioana-R.; Doerr, L.; Busigin, A.; Murdoch, D.

    2005-01-01

    A tool for tritium inventory evaluation within each sub-system of the Fuel Cycle of ITER is vital, with respect to both the process of licensing ITER and also for operation. It is very likely that measurements of total tritium inventories may not be possible for all sub-systems, however tritium accounting may be achieved by modeling its hold-up within each sub-system and by validating these models in real-time against the monitored flows and tritium streams between the systems. To get reliable results, an accurate dynamic modeling of the tritium content in each sub-system is necessary. In order to optimize the configuration and operation of the ITER fuel cycle, a dynamic fuel cycle model was developed progressively in the decade up to 2000-2001. As the design for some sub-systems from the fuel cycle (i.e. Vacuum pumping, Neutral Beam Injectors (NBI)) have substantially progressed meanwhile, a new code developed under a different platform to incorporate these modifications has been developed. The new code is taking over the models and algorithms for some subsystems, such as Isotope Separation System (ISS); where simplified models have been previously considered, more detailed have been introduced, as for the Water Detritiation System (WDS). To reflect all these changes, the new code developed inside EU participating team was nominated TRIMO (Tritium Inventory Modeling), to emphasize the use of the code on assessing the tritium inventory within ITER

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-09-01

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

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

    International Nuclear Information System (INIS)

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

    2010-01-01

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

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

    International Nuclear Information System (INIS)

    Made, B.; Fritz, B.

    1993-01-01

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

  8. Hydrogen recycle modeling in transport codes

    International Nuclear Information System (INIS)

    Howe, H.C.

    1979-01-01

    The hydrogen recycling models now used in Tokamak transport codes are reviewed and the method by which realistic recycling models are being added is discussed. Present models use arbitrary recycle coefficients and therefore do not model the actual recycling processes at the wall. A model for the hydrogen concentration in the wall serves two purposes: (1) it allows a better understanding of the density behavior in present gas puff, pellet, and neutral beam heating experiments; and (2) it allows one to extrapolate to long pulse devices such as EBT, ISX-C and reactors where the walls are observed or expected to saturate. Several wall models are presently being studied for inclusion in transport codes

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

    Directory of Open Access Journals (Sweden)

    С. М. Судариков

    2017-06-01

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

  10. Chemistry models in the Victoria code

    International Nuclear Information System (INIS)

    Grimley, A.J. III

    1988-01-01

    The VICTORIA Computer code consists of the fission product release and chemistry models for the MELPROG severe accident analysis code. The chemistry models in VICTORIA are used to treat multi-phase interactions in four separate physical regions: fuel grains, gap/open porosity/clad, coolant/aerosols, and structure surfaces. The physical and chemical environment of each region is very different from the others and different models are required for each. The common thread in the modelling is the use of a chemical equilibrium assumption. The validity of this assumption along with a description of the various physical constraints applicable to each region will be discussed. The models that result from the assumptions and constraints will be presented along with samples of calculations in each region

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

    Science.gov (United States)

    Charlton, Scott R.; Parkhurst, David L.

    2011-01-01

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

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

    International Nuclear Information System (INIS)

    Gerard, Frederic

    1996-01-01

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

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

    International Nuclear Information System (INIS)

    Kattan, Z.

    2004-09-01

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

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

    Science.gov (United States)

    Parkhurst, David L.; Wissmeier, Laurin

    2015-01-01

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

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

    Science.gov (United States)

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

    2016-12-01

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

  16. Modeling peripheral olfactory coding in Drosophila larvae.

    Directory of Open Access Journals (Sweden)

    Derek J Hoare

    Full Text Available The Drosophila larva possesses just 21 unique and identifiable pairs of olfactory sensory neurons (OSNs, enabling investigation of the contribution of individual OSN classes to the peripheral olfactory code. We combined electrophysiological and computational modeling to explore the nature of the peripheral olfactory code in situ. We recorded firing responses of 19/21 OSNs to a panel of 19 odors. This was achieved by creating larvae expressing just one functioning class of odorant receptor, and hence OSN. Odor response profiles of each OSN class were highly specific and unique. However many OSN-odor pairs yielded variable responses, some of which were statistically indistinguishable from background activity. We used these electrophysiological data, incorporating both responses and spontaneous firing activity, to develop a bayesian decoding model of olfactory processing. The model was able to accurately predict odor identity from raw OSN responses; prediction accuracy ranged from 12%-77% (mean for all odors 45.2% but was always significantly above chance (5.6%. However, there was no correlation between prediction accuracy for a given odor and the strength of responses of wild-type larvae to the same odor in a behavioral assay. We also used the model to predict the ability of the code to discriminate between pairs of odors. Some of these predictions were supported in a behavioral discrimination (masking assay but others were not. We conclude that our model of the peripheral code represents basic features of odor detection and discrimination, yielding insights into the information available to higher processing structures in the brain.

  17. Sodium pool fire model for CONACS code

    International Nuclear Information System (INIS)

    Yung, S.C.

    1982-01-01

    The modeling of sodium pool fires constitutes an important ingredient in conducting LMFBR accident analysis. Such modeling capability has recently come under scrutiny at Westinghouse Hanford Company (WHC) within the context of developing CONACS, the Containment Analysis Code System. One of the efforts in the CONACS program is to model various combustion processes anticipated to occur during postulated accident paths. This effort includes the selection or modification of an existing model and development of a new model if it clearly contributes to the program purpose. As part of this effort, a new sodium pool fire model has been developed that is directed at removing some of the deficiencies in the existing models, such as SOFIRE-II and FEUNA

  18. Towards Product Lining Model-Driven Development Code Generators

    OpenAIRE

    Roth, Alexander; Rumpe, Bernhard

    2015-01-01

    A code generator systematically transforms compact models to detailed code. Today, code generation is regarded as an integral part of model-driven development (MDD). Despite its relevance, the development of code generators is an inherently complex task and common methodologies and architectures are lacking. Additionally, reuse and extension of existing code generators only exist on individual parts. A systematic development and reuse based on a code generator product line is still in its inf...

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

    Science.gov (United States)

    Stottlemyre, J. S.

    1980-01-01

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

  20. Rapid installation of numerical models in multiple parent codes

    Energy Technology Data Exchange (ETDEWEB)

    Brannon, R.M.; Wong, M.K.

    1996-10-01

    A set of``model interface guidelines``, called MIG, is offered as a means to more rapidly install numerical models (such as stress-strain laws) into any parent code (hydrocode, finite element code, etc.) without having to modify the model subroutines. The model developer (who creates the model package in compliance with the guidelines) specifies the model`s input and storage requirements in a standardized way. For portability, database management (such as saving user inputs and field variables) is handled by the parent code. To date, NUG has proved viable in beta installations of several diverse models in vectorized and parallel codes written in different computer languages. A NUG-compliant model can be installed in different codes without modifying the model`s subroutines. By maintaining one model for many codes, MIG facilitates code-to-code comparisons and reduces duplication of effort potentially reducing the cost of installing and sharing models.

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

    Directory of Open Access Journals (Sweden)

    K. Dontsova

    2009-12-01

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

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

    Science.gov (United States)

    McNab, Walt W.

    1997-10-01

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

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

    International Nuclear Information System (INIS)

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

    2005-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Anđelković Darko H.

    2012-01-01

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

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

  6. MEMOPS: data modelling and automatic code generation.

    Science.gov (United States)

    Fogh, Rasmus H; Boucher, Wayne; Ionides, John M C; Vranken, Wim F; Stevens, Tim J; Laue, Ernest D

    2010-03-25

    In recent years the amount of biological data has exploded to the point where much useful information can only be extracted by complex computational analyses. Such analyses are greatly facilitated by metadata standards, both in terms of the ability to compare data originating from different sources, and in terms of exchanging data in standard forms, e.g. when running processes on a distributed computing infrastructure. However, standards thrive on stability whereas science tends to constantly move, with new methods being developed and old ones modified. Therefore maintaining both metadata standards, and all the code that is required to make them useful, is a non-trivial problem. Memops is a framework that uses an abstract definition of the metadata (described in UML) to generate internal data structures and subroutine libraries for data access (application programming interfaces--APIs--currently in Python, C and Java) and data storage (in XML files or databases). For the individual project these libraries obviate the need for writing code for input parsing, validity checking or output. Memops also ensures that the code is always internally consistent, massively reducing the need for code reorganisation. Across a scientific domain a Memops-supported data model makes it easier to support complex standards that can capture all the data produced in a scientific area, share them among all programs in a complex software pipeline, and carry them forward to deposition in an archive. The principles behind the Memops generation code will be presented, along with example applications in Nuclear Magnetic Resonance (NMR) spectroscopy and structural biology.

  7. Hydrological model in STEALTH 2-D code

    International Nuclear Information System (INIS)

    Hart, R.; Hofmann, R.

    1979-10-01

    Porous media fluid flow logic has been added to the two-dimensional version of the STEALTH explicit finite-difference code. It is a first-order hydrological model based upon Darcy's Law. Anisotropic permeability can be prescribed through x and y directional permeabilities. The fluid flow equations are formulated for either two-dimensional translation symmetry or two-dimensional axial symmetry. The addition of the hydrological model to STEALTH is a first step toward analyzing a physical system's response to the coupling of thermal, mechanical, and fluid flow phenomena

  8. The MESORAD dose assessment model: Computer code

    International Nuclear Information System (INIS)

    Ramsdell, J.V.; Athey, G.F.; Bander, T.J.; Scherpelz, R.I.

    1988-10-01

    MESORAD is a dose equivalent model for emergency response applications that is designed to be run on minicomputers. It has been developed by the Pacific Northwest Laboratory for use as part of the Intermediate Dose Assessment System in the US Nuclear Regulatory Commission Operations Center in Washington, DC, and the Emergency Management System in the US Department of Energy Unified Dose Assessment Center in Richland, Washington. This volume describes the MESORAD computer code and contains a listing of the code. The technical basis for MESORAD is described in the first volume of this report (Scherpelz et al. 1986). A third volume of the documentation planned. That volume will contain utility programs and input and output files that can be used to check the implementation of MESORAD. 18 figs., 4 tabs

  9. Tokamak Simulation Code modeling of NSTX

    International Nuclear Information System (INIS)

    Jardin, S.C.; Kaye, S.; Menard, J.; Kessel, C.; Glasser, A.H.

    2000-01-01

    The Tokamak Simulation Code [TSC] is widely used for the design of new axisymmetric toroidal experiments. In particular, TSC was used extensively in the design of the National Spherical Torus eXperiment [NSTX]. The authors have now benchmarked TSC with initial NSTX results and find excellent agreement for plasma and vessel currents and magnetic flux loops when the experimental coil currents are used in the simulations. TSC has also been coupled with a ballooning stability code and with DCON to provide stability predictions for NSTX operation. TSC has also been used to model initial CHI experiments where a large poloidal voltage is applied to the NSTX vacuum vessel, causing a force-free current to appear in the plasma. This is a phenomenon that is similar to the plasma halo current that sometimes develops during a plasma disruption

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

    International Nuclear Information System (INIS)

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

    2012-01-01

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

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

    Science.gov (United States)

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

    2017-04-01

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

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

    Science.gov (United States)

    Wersin, Paul

    2003-03-01

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

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

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

    Science.gov (United States)

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

    2017-12-01

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

  15. Hitch code capabilities for modeling AVT chemistry

    International Nuclear Information System (INIS)

    Leibovitz, J.

    1985-01-01

    Several types of corrosion have damaged alloy 600 tubing in the secondary side of steam generators. The types of corrosion include wastage, denting, intergranular attack, stress corrosion, erosion-corrosion, etc. The environments which cause attack may originate from leaks of cooling water into the condensate, etc. When the contaminated feedwater is pumped into the generator, the impurities may concentrate first 200 to 400 fold in the bulk water, depending on the blowdown, and then further to saturation and dryness in heated tube support plate crevices. Characterization of local solution chemistries is the first step to predict and correct the type of corrosion that can occur. The pH is of particular importance because it is a major factor governing the rate of corrosion reactions. The pH of a solution at high temperature is not the same as the ambient temperature, since ionic dissociation constants, solubility and solubility products, activity coefficients, etc., all change with temperature. Because the high temperature chemistry of such solutions is not readily characterized experimentally, modeling techniques were developed under EPRI sponsorship to calculate the high temperature chemistry of the relevant solutions. In many cases, the effects of cooling water impurities on steam generator water chemistry with all volatile treatment (AVT), upon concentration by boiling, and in particular the resulting acid or base concentration can be calculated by a simple code, the HITCH code, which is very easy to use. The scope and applicability of the HITCH code are summarized

  16. Top flooding modeling with MAAP4 code

    International Nuclear Information System (INIS)

    Brunet-Thibault, E.; Marguet, S.

    2006-01-01

    An engineering top flooding model was developed in MAAP4.04d.4, the severe accident code used in EDF, to simulate the thermal-hydraulic phenomena that should take place if emergency core cooling (ECC) water was injected in hot leg during quenching. In the framework of the ISTC (International Science and Technology Centre), a top flooding test was proposed in the PARAMETER facility (Podolsk, Russia). The MAAP calculation of the PARAMETER top flooding test is presented in this paper. A comparison between top and bottom flooding was made on the bundle test geometry. According to this study, top flooding appears to cool quickly and effectively the upper plenum internals. (author)

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

    DEFF Research Database (Denmark)

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

    2007-01-01

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

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

    International Nuclear Information System (INIS)

    Pitkaenen, P.

    1993-01-01

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

  19. 24 CFR 200.925c - Model codes.

    Science.gov (United States)

    2010-04-01

    ... below. (1) Model Building Codes—(i) The BOCA National Building Code, 1993 Edition, The BOCA National..., Administration, for the Building, Plumbing and Mechanical Codes and the references to fire retardant treated wood... number 2 (Chapter 7) of the Building Code, but including the Appendices of the Code. Available from...

  20. Containment Modelling with the ASTEC Code

    International Nuclear Information System (INIS)

    Sadek, Sinisa; Grgic, Davor

    2014-01-01

    ASTEC is an integral computer code jointly developed by Institut de Radioprotection et de Surete Nucleaire (IRSN, France) and Gesellschaft fur Anlagen-und Reaktorsicherheit (GRS, Germany) to assess the nuclear power plant behaviour during a severe accident (SA). It consists of 13 coupled modules which compute various SA phenomena in primary and secondary circuits of the nuclear power plants (NPP), and in the containment. The ASTEC code was used to model and to simulate NPP behaviour during a postulated station blackout accident in the NPP Krsko, a two-loop pressurized water reactor (PWR) plant. The primary system of the plant was modelled with 110 thermal hydraulic (TH) volumes, 113 junctions and 128 heat structures. The secondary system was modelled with 76 TH volumes, 77 junctions and 87 heat structures. The containment was modelled with 10 TH volumes by taking into account containment representation as a set of distinctive compartments, connected with 23 junctions. A total of 79 heat structures were used to simulate outer containment walls and internal steel and concrete structures. Prior to the transient calculation, a steady state analysis was performed. In order to achieve correct plant initial conditions, the operation of regulation systems was modelled. Parameters which were subjected to regulation were the pressurizer pressure, the pressurizer narrow range level and steam mass flow rates in the steam lines. The accident analysis was focused on containment behaviour, however the complete integral NPP analysis was carried out in order to provide correct boundary conditions for the containment calculation. During the accident, the containment integrity was challenged by release of reactor system coolant through degraded coolant pump seals and, later in the accident following release of the corium out of the reactor pressure vessel, by the molten corium concrete interaction and direct containment heating mechanisms. Impact of those processes on relevant

  1. A graph model for opportunistic network coding

    KAUST Repository

    Sorour, Sameh

    2015-08-12

    © 2015 IEEE. Recent advancements in graph-based analysis and solutions of instantly decodable network coding (IDNC) trigger the interest to extend them to more complicated opportunistic network coding (ONC) scenarios, with limited increase in complexity. In this paper, we design a simple IDNC-like graph model for a specific subclass of ONC, by introducing a more generalized definition of its vertices and the notion of vertex aggregation in order to represent the storage of non-instantly-decodable packets in ONC. Based on this representation, we determine the set of pairwise vertex adjacency conditions that can populate this graph with edges so as to guarantee decodability or aggregation for the vertices of each clique in this graph. We then develop the algorithmic procedures that can be applied on the designed graph model to optimize any performance metric for this ONC subclass. A case study on reducing the completion time shows that the proposed framework improves on the performance of IDNC and gets very close to the optimal performance.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-12-15

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

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

    International Nuclear Information System (INIS)

    Sena, Clara; Salas, Joaquin; Arcos, David

    2010-12-01

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

  4. Conservation of concrete structures according to fib Model Code 2010

    NARCIS (Netherlands)

    Matthews, S.; Bigaj-Van Vliet, A.; Ueda, T.

    2013-01-01

    Conservation of concrete structures forms an essential part of the fib Model Code for Concrete Structures 2010 (fib Model Code 2010). In particular, Chapter 9 of fib Model Code 2010 addresses issues concerning conservation strategies and tactics, conservation management, condition surveys, condition

  5. Gap Conductance model Validation in the TASS/SMR-S code using MARS code

    International Nuclear Information System (INIS)

    Ahn, Sang Jun; Yang, Soo Hyung; Chung, Young Jong; Lee, Won Jae

    2010-01-01

    Korea Atomic Energy Research Institute (KAERI) has been developing the TASS/SMR-S (Transient and Setpoint Simulation/Small and Medium Reactor) code, which is a thermal hydraulic code for the safety analysis of the advanced integral reactor. An appropriate work to validate the applicability of the thermal hydraulic models within the code should be demanded. Among the models, the gap conductance model which is describes the thermal gap conductivity between fuel and cladding was validated through the comparison with MARS code. The validation of the gap conductance model was performed by evaluating the variation of the gap temperature and gap width as the changed with the power fraction. In this paper, a brief description of the gap conductance model in the TASS/SMR-S code is presented. In addition, calculated results to validate the gap conductance model are demonstrated by comparing with the results of the MARS code with the test case

  6. A graph model for opportunistic network coding

    KAUST Repository

    Sorour, Sameh; Aboutoraby, Neda; Al-Naffouri, Tareq Y.; Alouini, Mohamed-Slim

    2015-01-01

    © 2015 IEEE. Recent advancements in graph-based analysis and solutions of instantly decodable network coding (IDNC) trigger the interest to extend them to more complicated opportunistic network coding (ONC) scenarios, with limited increase

  7. Code Differentiation for Hydrodynamic Model Optimization

    Energy Technology Data Exchange (ETDEWEB)

    Henninger, R.J.; Maudlin, P.J.

    1999-06-27

    Use of a hydrodynamics code for experimental data fitting purposes (an optimization problem) requires information about how a computed result changes when the model parameters change. These so-called sensitivities provide the gradient that determines the search direction for modifying the parameters to find an optimal result. Here, the authors apply code-based automatic differentiation (AD) techniques applied in the forward and adjoint modes to two problems with 12 parameters to obtain these gradients and compare the computational efficiency and accuracy of the various methods. They fit the pressure trace from a one-dimensional flyer-plate experiment and examine the accuracy for a two-dimensional jet-formation problem. For the flyer-plate experiment, the adjoint mode requires similar or less computer time than the forward methods. Additional parameters will not change the adjoint mode run time appreciably, which is a distinct advantage for this method. Obtaining ''accurate'' sensitivities for the j et problem parameters remains problematic.

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

    International Nuclear Information System (INIS)

    Chung, D.H.

    1977-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-03-15

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

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

    International Nuclear Information System (INIS)

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

    2008-03-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2001-01-01

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

  12. ER@CEBAF: Modeling code developments

    Energy Technology Data Exchange (ETDEWEB)

    Meot, F. [Brookhaven National Lab. (BNL), Upton, NY (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Roblin, Y. [Brookhaven National Lab. (BNL), Upton, NY (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

    2016-04-13

    A proposal for a multiple-pass, high-energy, energy-recovery experiment using CEBAF is under preparation in the frame of a JLab-BNL collaboration. In view of beam dynamics investigations regarding this project, in addition to the existing model in use in Elegant a version of CEBAF is developed in the stepwise ray-tracing code Zgoubi, Beyond the ER experiment, it is also planned to use the latter for the study of polarization transport in the presence of synchrotron radiation, down to Hall D line where a 12 GeV polarized beam can be delivered. This Note briefly reports on the preliminary steps, and preliminary outcomes, based on an Elegant to Zgoubi translation.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-31

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1992-12-31

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

  15. Improved choked flow model for MARS code

    International Nuclear Information System (INIS)

    Chung, Moon Sun; Lee, Won Jae; Ha, Kwi Seok; Hwang, Moon Kyu

    2002-01-01

    Choked flow calculation is improved by using a new sound speed criterion for bubbly flow that is derived by the characteristic analysis of hyperbolic two-fluid model. This model was based on the notion of surface tension for the interfacial pressure jump terms in the momentum equations. Real eigenvalues obtained as the closed-form solution of characteristic polynomial represent the sound speed in the bubbly flow regime that agrees well with the existing experimental data. The present sound speed shows more reasonable result in the extreme case than the Nguyens did. The present choked flow criterion derived by the present sound speed is employed in the MARS code and assessed by using the Marviken choked flow tests. The assessment results without any adjustment made by some discharge coefficients demonstrate more accurate predictions of choked flow rate in the bubbly flow regime than those of the earlier choked flow calculations. By calculating the Typical PWR (SBLOCA) problem, we make sure that the present model can reproduce the reasonable transients of integral reactor system

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-07-15

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

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

    Science.gov (United States)

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

    2017-04-01

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

  18. PetriCode: A Tool for Template-Based Code Generation from CPN Models

    DEFF Research Database (Denmark)

    Simonsen, Kent Inge

    2014-01-01

    Code generation is an important part of model driven methodologies. In this paper, we present PetriCode, a software tool for generating protocol software from a subclass of Coloured Petri Nets (CPNs). The CPN subclass is comprised of hierarchical CPN models describing a protocol system at different...

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

    International Nuclear Information System (INIS)

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

    1992-01-01

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

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

    Science.gov (United States)

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

    2018-03-01

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

  1. Alligator Rivers Analogue project. Geochemical Data Bases

    International Nuclear Information System (INIS)

    Bennett, D.G.; Read, D.

    1992-01-01

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

  2. 40 CFR 194.23 - Models and computer codes.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Models and computer codes. 194.23... General Requirements § 194.23 Models and computer codes. (a) Any compliance application shall include: (1... obtain stable solutions; (iv) Computer models accurately implement the numerical models; i.e., computer...

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

    International Nuclear Information System (INIS)

    Johnson, K.; Neumann, M.R.

    1986-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Jun Li

    2017-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Andrea Šlesárová

    2004-12-01

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

  6. Noise Residual Learning for Noise Modeling in Distributed Video Coding

    DEFF Research Database (Denmark)

    Luong, Huynh Van; Forchhammer, Søren

    2012-01-01

    Distributed video coding (DVC) is a coding paradigm which exploits the source statistics at the decoder side to reduce the complexity at the encoder. The noise model is one of the inherently difficult challenges in DVC. This paper considers Transform Domain Wyner-Ziv (TDWZ) coding and proposes...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-12-01

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

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

    International Nuclear Information System (INIS)

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

    1998-12-01

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

  9. Fuel analysis code FAIR and its high burnup modelling capabilities

    International Nuclear Information System (INIS)

    Prasad, P.S.; Dutta, B.K.; Kushwaha, H.S.; Mahajan, S.C.; Kakodkar, A.

    1995-01-01

    A computer code FAIR has been developed for analysing performance of water cooled reactor fuel pins. It is capable of analysing high burnup fuels. This code has recently been used for analysing ten high burnup fuel rods irradiated at Halden reactor. In the present paper, the code FAIR and its various high burnup models are described. The performance of code FAIR in analysing high burnup fuels and its other applications are highlighted. (author). 21 refs., 12 figs

  10. The analysis of thermal-hydraulic models in MELCOR code

    Energy Technology Data Exchange (ETDEWEB)

    Kim, M H; Hur, C; Kim, D K; Cho, H J [POhang Univ., of Science and TECHnology, Pohang (Korea, Republic of)

    1996-07-15

    The objective of the present work is to verify the prediction and analysis capability of MELCOR code about the progression of severe accidents in light water reactor and also to evaluate appropriateness of thermal-hydraulic models used in MELCOR code. Comparing the results of experiment and calculation with MELCOR code is carried out to achieve the above objective. Specially, the comparison between the CORA-13 experiment and the MELCOR code calculation was performed.

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

    Directory of Open Access Journals (Sweden)

    Omeid Rahmani

    2016-03-01

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

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

    Science.gov (United States)

    Baldini, J. U. L.

    2017-12-01

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

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

    Science.gov (United States)

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

    1981-09-01

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

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

    Science.gov (United States)

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

    2015-10-01

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

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

    International Nuclear Information System (INIS)

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

    2005-01-01

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

  16. Tardos fingerprinting codes in the combined digit model

    NARCIS (Netherlands)

    Skoric, B.; Katzenbeisser, S.; Schaathun, H.G.; Celik, M.U.

    2009-01-01

    We introduce a new attack model for collusion-secure codes, called the combined digit model, which represents signal processing attacks against the underlying watermarking level better than existing models. In this paper, we analyze the performance of two variants of the Tardos code and show that

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

  19. Interfacial and Wall Transport Models for SPACE-CAP Code

    International Nuclear Information System (INIS)

    Hong, Soon Joon; Choo, Yeon Joon; Han, Tae Young; Hwang, Su Hyun; Lee, Byung Chul; Choi, Hoon; Ha, Sang Jun

    2009-01-01

    The development project for the domestic design code was launched to be used for the safety and performance analysis of pressurized light water reactors. And CAP (Containment Analysis Package) code has been also developed for the containment safety and performance analysis side by side with SPACE. The CAP code treats three fields (gas, continuous liquid, and dispersed drop) for the assessment of containment specific phenomena, and is featured by its multidimensional assessment capabilities. Thermal hydraulics solver was already developed and now under testing of its stability and soundness. As a next step, interfacial and wall transport models was setup. In order to develop the best model and correlation package for the CAP code, various models currently used in major containment analysis codes, which are GOTHIC, CONTAIN2.0, and CONTEMPT-LT, have been reviewed. The origins of the selected models used in these codes have also been examined to find out if the models have not conflict with a proprietary right. In addition, a literature survey of the recent studies has been performed in order to incorporate the better models for the CAP code. The models and correlations of SPACE were also reviewed. CAP models and correlations are composed of interfacial heat/mass, and momentum transport models, and wall heat/mass, and momentum transport models. This paper discusses on those transport models in the CAP code

  20. Interfacial and Wall Transport Models for SPACE-CAP Code

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Soon Joon; Choo, Yeon Joon; Han, Tae Young; Hwang, Su Hyun; Lee, Byung Chul [FNC Tech., Seoul (Korea, Republic of); Choi, Hoon; Ha, Sang Jun [Korea Electric Power Research Institute, Daejeon (Korea, Republic of)

    2009-10-15

    The development project for the domestic design code was launched to be used for the safety and performance analysis of pressurized light water reactors. And CAP (Containment Analysis Package) code has been also developed for the containment safety and performance analysis side by side with SPACE. The CAP code treats three fields (gas, continuous liquid, and dispersed drop) for the assessment of containment specific phenomena, and is featured by its multidimensional assessment capabilities. Thermal hydraulics solver was already developed and now under testing of its stability and soundness. As a next step, interfacial and wall transport models was setup. In order to develop the best model and correlation package for the CAP code, various models currently used in major containment analysis codes, which are GOTHIC, CONTAIN2.0, and CONTEMPT-LT, have been reviewed. The origins of the selected models used in these codes have also been examined to find out if the models have not conflict with a proprietary right. In addition, a literature survey of the recent studies has been performed in order to incorporate the better models for the CAP code. The models and correlations of SPACE were also reviewed. CAP models and correlations are composed of interfacial heat/mass, and momentum transport models, and wall heat/mass, and momentum transport models. This paper discusses on those transport models in the CAP code.

  1. MARS code manual volume I: code structure, system models, and solution methods

    International Nuclear Information System (INIS)

    Chung, Bub Dong; Kim, Kyung Doo; Bae, Sung Won; Jeong, Jae Jun; Lee, Seung Wook; Hwang, Moon Kyu; Yoon, Churl

    2010-02-01

    Korea Advanced Energy Research Institute (KAERI) conceived and started the development of MARS code with the main objective of producing a state-of-the-art realistic thermal hydraulic systems analysis code with multi-dimensional analysis capability. MARS achieves this objective by very tightly integrating the one dimensional RELAP5/MOD3 with the multi-dimensional COBRA-TF codes. The method of integration of the two codes is based on the dynamic link library techniques, and the system pressure equation matrices of both codes are implicitly integrated and solved simultaneously. In addition, the Equation-Of-State (EOS) for the light water was unified by replacing the EOS of COBRA-TF by that of the RELAP5. This theory manual provides a complete list of overall information of code structure and major function of MARS including code architecture, hydrodynamic model, heat structure, trip / control system and point reactor kinetics model. Therefore, this report would be very useful for the code users. The overall structure of the manual is modeled on the structure of the RELAP5 and as such the layout of the manual is very similar to that of the RELAP. This similitude to RELAP5 input is intentional as this input scheme will allow minimum modification between the inputs of RELAP5 and MARS3.1. MARS3.1 development team would like to express its appreciation to the RELAP5 Development Team and the USNRC for making this manual possible

  2. Hydro-geochemical modeling of subalpine urbanized area: geochemical characterization of the shallow and deep aquifers of the urban district of Como (first results).

    Science.gov (United States)

    Terrana, Silvia; Brunamonte, Fabio; Frascoli, Francesca; Ferrario, Maria Francesca; Michetti, Alessandro Maria; Pozzi, Andrea; Gambillara, Roberto; Binda, Gilberto

    2016-04-01

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

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

    Science.gov (United States)

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

    2016-06-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-07-01

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

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

    DEFF Research Database (Denmark)

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

    2006-01-01

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

  6. Improving the quality of clinical coding: a comprehensive audit model

    Directory of Open Access Journals (Sweden)

    Hamid Moghaddasi

    2014-04-01

    Full Text Available Introduction: The review of medical records with the aim of assessing the quality of codes has long been conducted in different countries. Auditing medical coding, as an instructive approach, could help to review the quality of codes objectively using defined attributes, and this in turn would lead to improvement of the quality of codes. Method: The current study aimed to present a model for auditing the quality of clinical codes. The audit model was formed after reviewing other audit models, considering their strengths and weaknesses. A clear definition was presented for each quality attribute and more detailed criteria were then set for assessing the quality of codes. Results: The audit tool (based on the quality attributes included legibility, relevancy, completeness, accuracy, definition and timeliness; led to development of an audit model for assessing the quality of medical coding. Delphi technique was then used to reassure the validity of the model. Conclusion: The inclusive audit model designed could provide a reliable and valid basis for assessing the quality of codes considering more quality attributes and their clear definition. The inter-observer check suggested in the method of auditing is of particular importance to reassure the reliability of coding.

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

    Science.gov (United States)

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

    2017-12-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-03-01

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

  9. Repairing business process models as retrieved from source code

    NARCIS (Netherlands)

    Fernández-Ropero, M.; Reijers, H.A.; Pérez-Castillo, R.; Piattini, M.; Nurcan, S.; Proper, H.A.; Soffer, P.; Krogstie, J.; Schmidt, R.; Halpin, T.; Bider, I.

    2013-01-01

    The static analysis of source code has become a feasible solution to obtain underlying business process models from existing information systems. Due to the fact that not all information can be automatically derived from source code (e.g., consider manual activities), such business process models

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

    Directory of Open Access Journals (Sweden)

    Franco Tassi

    2011-06-01

    Full Text Available

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

  11. Content Coding of Psychotherapy Transcripts Using Labeled Topic Models.

    Science.gov (United States)

    Gaut, Garren; Steyvers, Mark; Imel, Zac E; Atkins, David C; Smyth, Padhraic

    2017-03-01

    Psychotherapy represents a broad class of medical interventions received by millions of patients each year. Unlike most medical treatments, its primary mechanisms are linguistic; i.e., the treatment relies directly on a conversation between a patient and provider. However, the evaluation of patient-provider conversation suffers from critical shortcomings, including intensive labor requirements, coder error, nonstandardized coding systems, and inability to scale up to larger data sets. To overcome these shortcomings, psychotherapy analysis needs a reliable and scalable method for summarizing the content of treatment encounters. We used a publicly available psychotherapy corpus from Alexander Street press comprising a large collection of transcripts of patient-provider conversations to compare coding performance for two machine learning methods. We used the labeled latent Dirichlet allocation (L-LDA) model to learn associations between text and codes, to predict codes in psychotherapy sessions, and to localize specific passages of within-session text representative of a session code. We compared the L-LDA model to a baseline lasso regression model using predictive accuracy and model generalizability (measured by calculating the area under the curve (AUC) from the receiver operating characteristic curve). The L-LDA model outperforms the lasso logistic regression model at predicting session-level codes with average AUC scores of 0.79, and 0.70, respectively. For fine-grained level coding, L-LDA and logistic regression are able to identify specific talk-turns representative of symptom codes. However, model performance for talk-turn identification is not yet as reliable as human coders. We conclude that the L-LDA model has the potential to be an objective, scalable method for accurate automated coding of psychotherapy sessions that perform better than comparable discriminative methods at session-level coding and can also predict fine-grained codes.

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

    International Nuclear Information System (INIS)

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

    1999-05-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1999-05-01

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

  14. Data Qualification Report For: Thermodynamic Data File, DATA0.YMP.R0 For Geochemical Code, EQ3/6 

    Energy Technology Data Exchange (ETDEWEB)

    P.L. Cloke

    2001-10-16

    The objective of this work is to evaluate the adequacy of chemical thermodynamic data provided by Lawrence Livermore National Laboratory (LLNL) as DataO.ymp.ROA in response to an input request submitted under AP-3.14Q. This request specified that chemical thermodynamic data available in the file, Data0.com.R2, be updated, improved, and augmented for use in geochemical modeling used in Process Model Reports (PMRs) for Engineered Barrier Systems, Waste Form, Waste Package, Unsaturated Zone, and Near Field Environment, as well as for Performance Assessment. The data are qualified in the temperature range 0 to 100 C. Several Data Tracking Numbers (DTNs) associated with Analysis/Model Reports (AMR) addressing various aspects of the post-closure chemical behavior of the waste package and the Engineered Barrier System that rely on EQ316 outputs to which these data are used as input, are Principal Factor affecting. This qualification activity was accomplished in accordance with the AP-SIII.2Q using the Technical Assessment method. A development plan, TDP-EBS-MD-000044, was prepared in accordance with AP-2.13Q and approved by the Responsible Manager. In addition, a Process Control Evaluation was performed in accordance with AP-SV.1Q. The qualification method, selected in accordance with AP-SIII.2Q, was Technical Assessment. The rationale for this approach is that the data in File Data0.com.R2 are considered Handbook data and therefore do not themselves require qualification. Only changes to Data0.com.R2 required qualification. A new file has been produced which contains the database Data0.ymp.R0, which is recommended for qualification as a result of this action. Data0.ymp.R0 will supersede Data0.com.R2 for all Yucca Mountain Project (YMP) activities.

  15. WWER radial reflector modeling by diffusion codes

    International Nuclear Information System (INIS)

    Petkov, P. T.; Mittag, S.

    2005-01-01

    The two commonly used approaches to describe the WWER radial reflectors in diffusion codes, by albedo on the core-reflector boundary and by a ring of diffusive assembly size nodes, are discussed. The advantages and disadvantages of the first approach are presented first, then the Koebke's equivalence theory is outlined and its implementation for the WWER radial reflectors is discussed. Results for the WWER-1000 reactor are presented. Then the boundary conditions on the outer reflector boundary are discussed. The possibility to divide the library into fuel assembly and reflector parts and to generate each library by a separate code package is discussed. Finally, the homogenization errors for rodded assemblies are presented and discussed (Author)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-07-01

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

  17. The GNASH preequilibrium-statistical nuclear model code

    International Nuclear Information System (INIS)

    Arthur, E. D.

    1988-01-01

    The following report is based on materials presented in a series of lectures at the International Center for Theoretical Physics, Trieste, which were designed to describe the GNASH preequilibrium statistical model code and its use. An overview is provided of the code with emphasis upon code's calculational capabilities and the theoretical models that have been implemented in it. Two sample problems are discussed, the first dealing with neutron reactions on 58 Ni. the second illustrates the fission model capabilities implemented in the code and involves n + 235 U reactions. Finally a description is provided of current theoretical model and code development underway. Examples of calculated results using these new capabilities are also given. 19 refs., 17 figs., 3 tabs

  18. COMPBRN III: a computer code for modeling compartment fires

    International Nuclear Information System (INIS)

    Ho, V.; Siu, N.; Apostolakis, G.; Flanagan, G.F.

    1986-07-01

    The computer code COMPBRN III deterministically models the behavior of compartment fires. This code is an improvement of the original COMPBRN codes. It employs a different air entrainment model and numerical scheme to estimate properties of the ceiling hot gas layer model. Moreover, COMPBRN III incorporates a number of improvements in shape factor calculations and error checking, which distinguish it from the COMPBRN II code. This report presents the ceiling hot gas layer model employed by COMPBRN III as well as several other modifications. Information necessary to run COMPBRN III, including descriptions of required input and resulting output, are also presented. Simulation of experiments and a sample problem are included to demonstrate the usage of the code. 37 figs., 46 refs

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-09-15

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-03-15

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

  2. RELAP5/MOD3 code manual: Code structure, system models, and solution methods. Volume 1

    International Nuclear Information System (INIS)

    1995-08-01

    The RELAP5 code has been developed for best estimate transient simulation of light water reactor coolant systems during postulated accidents. The code models the coupled behavior of the reactor coolant system and the core for loss-of-coolant accidents, and operational transients, such as anticipated transient without scram, loss of offsite power, loss of feedwater, and loss of flow. A generic modeling, approach is used that permits simulating a variety of thermal hydraulic systems. Control system and secondary system components are included to permit modeling of plant controls, turbines, condensers, and secondary feedwater systems. RELAP5/MOD3 code documentation is divided into seven volumes: Volume I provides modeling theory and associated numerical schemes

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

    International Nuclear Information System (INIS)

    Phrommavanh, V.

    2008-10-01

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

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

    International Nuclear Information System (INIS)

    Wolery, T.J.

    1992-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Wolery, T.J.

    1992-09-14

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

  6. GASFLOW computer code (physical models and input data)

    International Nuclear Information System (INIS)

    Muehlbauer, Petr

    2007-11-01

    The GASFLOW computer code was developed jointly by the Los Alamos National Laboratory, USA, and Forschungszentrum Karlsruhe, Germany. The code is primarily intended for calculations of the transport, mixing, and combustion of hydrogen and other gases in nuclear reactor containments and in other facilities. The physical models and the input data are described, and a commented simple calculation is presented

  7. Fuel behavior modeling using the MARS computer code

    International Nuclear Information System (INIS)

    Faya, S.C.S.; Faya, A.J.G.

    1983-01-01

    The fuel behaviour modeling code MARS against experimental data, was evaluated. Two cases were selected: an early comercial PWR rod (Maine Yankee rod) and an experimental rod from the Canadian BWR program (Canadian rod). The MARS predictions are compared with experimental data and predictions made by other fuel modeling codes. Improvements are suggested for some fuel behaviour models. Mars results are satisfactory based on the data available. (Author) [pt

  8. MIDAS/PK code development using point kinetics model

    International Nuclear Information System (INIS)

    Song, Y. M.; Park, S. H.

    1999-01-01

    In this study, a MIDAS/PK code has been developed for analyzing the ATWS (Anticipated Transients Without Scram) which can be one of severe accident initiating events. The MIDAS is an integrated computer code based on the MELCOR code to develop a severe accident risk reduction strategy by Korea Atomic Energy Research Institute. In the mean time, the Chexal-Layman correlation in the current MELCOR, which was developed under a BWR condition, is appeared to be inappropriate for a PWR. So as to provide ATWS analysis capability to the MIDAS code, a point kinetics module, PKINETIC, has first been developed as a stand-alone code whose reference model was selected from the current accident analysis codes. In the next step, the MIDAS/PK code has been developed via coupling PKINETIC with the MIDAS code by inter-connecting several thermal hydraulic parameters between the two codes. Since the major concern in the ATWS analysis is the primary peak pressure during the early few minutes into the accident, the peak pressure from the PKINETIC module and the MIDAS/PK are compared with the RETRAN calculations showing a good agreement between them. The MIDAS/PK code is considered to be valuable for analyzing the plant response during ATWS deterministically, especially for the early domestic Westinghouse plants which rely on the operator procedure instead of an AMSAC (ATWS Mitigating System Actuation Circuitry) against ATWS. This capability of ATWS analysis is also important from the view point of accident management and mitigation

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

    International Nuclear Information System (INIS)

    McMurry, J.

    1995-10-01

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

  10. Coupling a Basin Modeling and a Seismic Code using MOAB

    KAUST Repository

    Yan, Mi; Jordan, Kirk; Kaushik, Dinesh; Perrone, Michael; Sachdeva, Vipin; Tautges, Timothy J.; Magerlein, John

    2012-01-01

    We report on a demonstration of loose multiphysics coupling between a basin modeling code and a seismic code running on a large parallel machine. Multiphysics coupling, which is one critical capability for a high performance computing (HPC) framework, was implemented using the MOAB open-source mesh and field database. MOAB provides for code coupling by storing mesh data and input and output field data for the coupled analysis codes and interpolating the field values between different meshes used by the coupled codes. We found it straightforward to use MOAB to couple the PBSM basin modeling code and the FWI3D seismic code on an IBM Blue Gene/P system. We describe how the coupling was implemented and present benchmarking results for up to 8 racks of Blue Gene/P with 8192 nodes and MPI processes. The coupling code is fast compared to the analysis codes and it scales well up to at least 8192 nodes, indicating that a mesh and field database is an efficient way to implement loose multiphysics coupling for large parallel machines.

  11. Coupling a Basin Modeling and a Seismic Code using MOAB

    KAUST Repository

    Yan, Mi

    2012-06-02

    We report on a demonstration of loose multiphysics coupling between a basin modeling code and a seismic code running on a large parallel machine. Multiphysics coupling, which is one critical capability for a high performance computing (HPC) framework, was implemented using the MOAB open-source mesh and field database. MOAB provides for code coupling by storing mesh data and input and output field data for the coupled analysis codes and interpolating the field values between different meshes used by the coupled codes. We found it straightforward to use MOAB to couple the PBSM basin modeling code and the FWI3D seismic code on an IBM Blue Gene/P system. We describe how the coupling was implemented and present benchmarking results for up to 8 racks of Blue Gene/P with 8192 nodes and MPI processes. The coupling code is fast compared to the analysis codes and it scales well up to at least 8192 nodes, indicating that a mesh and field database is an efficient way to implement loose multiphysics coupling for large parallel machines.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-07-01

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

  13. EM modeling for GPIR using 3D FDTD modeling codes

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, S.D.

    1994-10-01

    An analysis of the one-, two-, and three-dimensional electrical characteristics of structural cement and concrete is presented. This work connects experimental efforts in characterizing cement and concrete in the frequency and time domains with the Finite Difference Time Domain (FDTD) modeling efforts of these substances. These efforts include Electromagnetic (EM) modeling of simple lossless homogeneous materials with aggregate and targets and the modeling dispersive and lossy materials with aggregate and complex target geometries for Ground Penetrating Imaging Radar (GPIR). Two- and three-dimensional FDTD codes (developed at LLNL) where used for the modeling efforts. Purpose of the experimental and modeling efforts is to gain knowledge about the electrical properties of concrete typically used in the construction industry for bridges and other load bearing structures. The goal is to optimize the performance of a high-sample-rate impulse radar and data acquisition system and to design an antenna system to match the characteristics of this material. Results show agreement to within 2 dB of the amplitudes of the experimental and modeled data while the frequency peaks correlate to within 10% the differences being due to the unknown exact nature of the aggregate placement.

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

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

    International Nuclear Information System (INIS)

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

    2005-01-01

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

  16. Cavitation Modeling in Euler and Navier-Stokes Codes

    Science.gov (United States)

    Deshpande, Manish; Feng, Jinzhang; Merkle, Charles L.

    1993-01-01

    Many previous researchers have modeled sheet cavitation by means of a constant pressure solution in the cavity region coupled with a velocity potential formulation for the outer flow. The present paper discusses the issues involved in extending these cavitation models to Euler or Navier-Stokes codes. The approach taken is to start from a velocity potential model to ensure our results are compatible with those of previous researchers and available experimental data, and then to implement this model in both Euler and Navier-Stokes codes. The model is then augmented in the Navier-Stokes code by the inclusion of the energy equation which allows the effect of subcooling in the vicinity of the cavity interface to be modeled to take into account the experimentally observed reduction in cavity pressures that occurs in cryogenic fluids such as liquid hydrogen. Although our goal is to assess the practicality of implementing these cavitation models in existing three-dimensional, turbomachinery codes, the emphasis in the present paper will center on two-dimensional computations, most specifically isolated airfoils and cascades. Comparisons between velocity potential, Euler and Navier-Stokes implementations indicate they all produce consistent predictions. Comparisons with experimental results also indicate that the predictions are qualitatively correct and give a reasonable first estimate of sheet cavitation effects in both cryogenic and non-cryogenic fluids. The impact on CPU time and the code modifications required suggests that these models are appropriate for incorporation in current generation turbomachinery codes.

  17. RELAP5/MOD3 code coupling model

    International Nuclear Information System (INIS)

    Martin, R.P.; Johnsen, G.W.

    1994-01-01

    A new capability has been incorporated into RELAP5/MOD3 that enables the coupling of RELAP5/MOD3 to other computer codes. The new capability has been designed to support analysis of the new advanced reactor concepts. Its user features rely solely on new RELAP5 open-quotes styledclose quotes input and the Parallel Virtual Machine (PVM) software, which facilitates process management and distributed communication of multiprocess problems. RELAP5/MOD3 manages the input processing, communication instruction, process synchronization, and its own send and receive data processing. The flexible capability requires that an explicit coupling be established, which updates boundary conditions at discrete time intervals. Two test cases are presented that demonstrate the functionality, applicability, and issues involving use of this capability

  18. Modelling of water-gas-rock geo-chemical interactions. Application to mineral diagenesis in geological reservoirs

    International Nuclear Information System (INIS)

    Bildstein, Olivier

    1998-01-01

    Mineral diagenesis in tanks results from interactions between minerals, water, and possibly gases, over geological periods of time. The associated phenomena may have a crucial importance for reservoir characterization because of their impact on petrophysical properties. The objective of this research thesis is thus to develop a model which integrates geochemical functions necessary to simulate diagenetic reactions, and which is numerically efficient enough to perform the coupling with a transport model. After a recall of thermodynamic and kinetic backgrounds, the author discusses how the nature of available analytic and experimental data influenced choices made for the formalization of physical-chemical phenomena and for behaviour laws to be considered. Numerical and computational aspects are presented in the second part. The model is validated by using simple examples. The different possible steps during the kinetic competition between two mineral are highlighted, as well the competition between mineral reaction kinetics and water flow rate across the rock. Redox reactions are also considered. In the third part, the author reports the application of new model functions, and highlights the contribution of the modelling to the understanding of some complex geochemical phenomena and to the prediction of reservoir quality. The model is applied to several diagenetic transformations: cementation of dolomitic limestone by anhydride, illite precipitation, and thermal reduction of sulphates [fr

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

    Science.gov (United States)

    Mohammadzadeh, Mohammadjafar; Nasseri, Aynur

    2018-03-01

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

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

    Science.gov (United States)

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

    2017-09-01

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

  1. Case studies in Gaussian process modelling of computer codes

    International Nuclear Information System (INIS)

    Kennedy, Marc C.; Anderson, Clive W.; Conti, Stefano; O'Hagan, Anthony

    2006-01-01

    In this paper we present a number of recent applications in which an emulator of a computer code is created using a Gaussian process model. Tools are then applied to the emulator to perform sensitivity analysis and uncertainty analysis. Sensitivity analysis is used both as an aid to model improvement and as a guide to how much the output uncertainty might be reduced by learning about specific inputs. Uncertainty analysis allows us to reflect output uncertainty due to unknown input parameters, when the finished code is used for prediction. The computer codes themselves are currently being developed within the UK Centre for Terrestrial Carbon Dynamics

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

    Science.gov (United States)

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

    2008-11-01

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

  3. ATHENA code manual. Volume 1. Code structure, system models, and solution methods

    International Nuclear Information System (INIS)

    Carlson, K.E.; Roth, P.A.; Ransom, V.H.

    1986-09-01

    The ATHENA (Advanced Thermal Hydraulic Energy Network Analyzer) code has been developed to perform transient simulation of the thermal hydraulic systems which may be found in fusion reactors, space reactors, and other advanced systems. A generic modeling approach is utilized which permits as much of a particular system to be modeled as necessary. Control system and secondary system components are included to permit modeling of a complete facility. Several working fluids are available to be used in one or more interacting loops. Different loops may have different fluids with thermal connections between loops. The modeling theory and associated numerical schemes are documented in Volume I in order to acquaint the user with the modeling base and thus aid effective use of the code. The second volume contains detailed instructions for input data preparation

  4. ADVANCED ELECTRIC AND MAGNETIC MATERIAL MODELS FOR FDTD ELECTROMAGNETIC CODES

    Energy Technology Data Exchange (ETDEWEB)

    Poole, B R; Nelson, S D; Langdon, S

    2005-05-05

    The modeling of dielectric and magnetic materials in the time domain is required for pulse power applications, pulsed induction accelerators, and advanced transmission lines. For example, most induction accelerator modules require the use of magnetic materials to provide adequate Volt-sec during the acceleration pulse. These models require hysteresis and saturation to simulate the saturation wavefront in a multipulse environment. In high voltage transmission line applications such as shock or soliton lines the dielectric is operating in a highly nonlinear regime, which require nonlinear models. Simple 1-D models are developed for fast parameterization of transmission line structures. In the case of nonlinear dielectrics, a simple analytic model describing the permittivity in terms of electric field is used in a 3-D finite difference time domain code (FDTD). In the case of magnetic materials, both rate independent and rate dependent Hodgdon magnetic material models have been implemented into 3-D FDTD codes and 1-D codes.

  5. ADVANCED ELECTRIC AND MAGNETIC MATERIAL MODELS FOR FDTD ELECTROMAGNETIC CODES

    International Nuclear Information System (INIS)

    Poole, B R; Nelson, S D; Langdon, S

    2005-01-01

    The modeling of dielectric and magnetic materials in the time domain is required for pulse power applications, pulsed induction accelerators, and advanced transmission lines. For example, most induction accelerator modules require the use of magnetic materials to provide adequate Volt-sec during the acceleration pulse. These models require hysteresis and saturation to simulate the saturation wavefront in a multipulse environment. In high voltage transmission line applications such as shock or soliton lines the dielectric is operating in a highly nonlinear regime, which require nonlinear models. Simple 1-D models are developed for fast parameterization of transmission line structures. In the case of nonlinear dielectrics, a simple analytic model describing the permittivity in terms of electric field is used in a 3-D finite difference time domain code (FDTD). In the case of magnetic materials, both rate independent and rate dependent Hodgdon magnetic material models have been implemented into 3-D FDTD codes and 1-D codes

  6. Code Generation for Protocols from CPN models Annotated with Pragmatics

    DEFF Research Database (Denmark)

    Simonsen, Kent Inge; Kristensen, Lars Michael; Kindler, Ekkart

    software implementation satisfies the properties verified for the model. Coloured Petri Nets (CPNs) have been widely used to model and verify protocol software, but limited work exists on using CPN models of protocol software as a basis for automated code generation. In this report, we present an approach...... modelling languages, MDE further has the advantage that models are amenable to model checking which allows key behavioural properties of the software design to be verified. The combination of formally verified models and automated code generation contributes to a high degree of assurance that the resulting...... for generating protocol software from a restricted class of CPN models. The class of CPN models considered aims at being descriptive in that the models are intended to be helpful in understanding and conveying the operation of the protocol. At the same time, a descriptive model is close to a verifiable version...

  7. Fusion safety codes International modeling with MELCOR and ATHENA- INTRA

    CERN Document Server

    Marshall, T; Topilski, L; Merrill, B

    2002-01-01

    For a number of years, the world fusion safety community has been involved in benchmarking their safety analyses codes against experiment data to support regulatory approval of a next step fusion device. This paper discusses the benchmarking of two prominent fusion safety thermal-hydraulic computer codes. The MELCOR code was developed in the US for fission severe accident safety analyses and has been modified for fusion safety analyses. The ATHENA code is a multifluid version of the US-developed RELAP5 code that is also widely used for fusion safety analyses. The ENEA Fusion Division uses ATHENA in conjunction with the INTRA code for its safety analyses. The INTRA code was developed in Germany and predicts containment building pressures, temperatures and fluid flow. ENEA employs the French-developed ISAS system to couple ATHENA and INTRA. This paper provides a brief introduction of the MELCOR and ATHENA-INTRA codes and presents their modeling results for the following breaches of a water cooling line into the...

  8. LMFBR models for the ORIGEN2 computer code

    International Nuclear Information System (INIS)

    Croff, A.G.; McAdoo, J.W.; Bjerke, M.A.

    1981-10-01

    Reactor physics calculations have led to the development of nine liquid-metal fast breeder reactor (LMFBR) models for the ORIGEN2 computer code. Four of the models are based on the U-Pu fuel cycle, two are based on the Th-U-Pu fuel cycle, and three are based on the Th- 238 U fuel cycle. The reactor models are based on cross sections taken directly from the reactor physics codes. Descriptions of the reactor models as well as values for the ORIGEN2 flux parameters THERM, RES, and FAST are given

  9. CMCpy: Genetic Code-Message Coevolution Models in Python

    Science.gov (United States)

    Becich, Peter J.; Stark, Brian P.; Bhat, Harish S.; Ardell, David H.

    2013-01-01

    Code-message coevolution (CMC) models represent coevolution of a genetic code and a population of protein-coding genes (“messages”). Formally, CMC models are sets of quasispecies coupled together for fitness through a shared genetic code. Although CMC models display plausible explanations for the origin of multiple genetic code traits by natural selection, useful modern implementations of CMC models are not currently available. To meet this need we present CMCpy, an object-oriented Python API and command-line executable front-end that can reproduce all published results of CMC models. CMCpy implements multiple solvers for leading eigenpairs of quasispecies models. We also present novel analytical results that extend and generalize applications of perturbation theory to quasispecies models and pioneer the application of a homotopy method for quasispecies with non-unique maximally fit genotypes. Our results therefore facilitate the computational and analytical study of a variety of evolutionary systems. CMCpy is free open-source software available from http://pypi.python.org/pypi/CMCpy/. PMID:23532367

  10. WDEC: A Code for Modeling White Dwarf Structure and Pulsations

    Science.gov (United States)

    Bischoff-Kim, Agnès; Montgomery, Michael H.

    2018-05-01

    The White Dwarf Evolution Code (WDEC), written in Fortran, makes models of white dwarf stars. It is fast, versatile, and includes the latest physics. The code evolves hot (∼100,000 K) input models down to a chosen effective temperature by relaxing the models to be solutions of the equations of stellar structure. The code can also be used to obtain g-mode oscillation modes for the models. WDEC has a long history going back to the late 1960s. Over the years, it has been updated and re-packaged for modern computer architectures and has specifically been used in computationally intensive asteroseismic fitting. Generations of white dwarf astronomers and dozens of publications have made use of the WDEC, although the last true instrument paper is the original one, published in 1975. This paper discusses the history of the code, necessary to understand why it works the way it does, details the physics and features in the code today, and points the reader to where to find the code and a user guide.

  11. Improvement of a combustion model in MELCOR code

    International Nuclear Information System (INIS)

    Ogino, Masao; Hashimoto, Takashi

    1999-01-01

    NUPEC has been improving a hydrogen combustion model in MELCOR code for severe accident analysis. In the proposed combustion model, the flame velocity in a node was predicted using five different flame front shapes of fireball, prism, bubble, spherical jet, and plane jet. For validation of the proposed model, the results of the Battelle multi-compartment hydrogen combustion test were used. The selected test cases for the study were Hx-6, 13, 14, 20 and Ix-2 which had two, three or four compartments under homogeneous hydrogen concentration of 5 to 10 vol%. The proposed model could predict well the combustion behavior in multi-compartment containment geometry on the whole. MELCOR code, incorporating the present combustion model, can simulate combustion behavior during severe accident with acceptable computing time and some degree of accuracy. The applicability study of the improved MELCOR code to the actual reactor plants will be further continued. (author)

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

    Science.gov (United States)

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

    2016-04-01

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

  13. NRC model simulations in support of the hydrologic code intercomparison study (HYDROCOIN): Level 1-code verification

    International Nuclear Information System (INIS)

    1988-03-01

    HYDROCOIN is an international study for examining ground-water flow modeling strategies and their influence on safety assessments of geologic repositories for nuclear waste. This report summarizes only the combined NRC project temas' simulation efforts on the computer code bench-marking problems. The codes used to simulate thesee seven problems were SWIFT II, FEMWATER, UNSAT2M USGS-3D, AND TOUGH. In general, linear problems involving scalars such as hydraulic head were accurately simulated by both finite-difference and finite-element solution algorithms. Both types of codes produced accurate results even for complex geometrics such as intersecting fractures. Difficulties were encountered in solving problems that invovled nonlinear effects such as density-driven flow and unsaturated flow. In order to fully evaluate the accuracy of these codes, post-processing of results using paricle tracking algorithms and calculating fluxes were examined. This proved very valuable by uncovering disagreements among code results even through the hydraulic-head solutions had been in agreement. 9 refs., 111 figs., 6 tabs

  14. JPEG2000 COMPRESSION CODING USING HUMAN VISUAL SYSTEM MODEL

    Institute of Scientific and Technical Information of China (English)

    Xiao Jiang; Wu Chengke

    2005-01-01

    In order to apply the Human Visual System (HVS) model to JPEG2000 standard,several implementation alternatives are discussed and a new scheme of visual optimization isintroduced with modifying the slope of rate-distortion. The novelty is that the method of visual weighting is not lifting the coefficients in wavelet domain, but is complemented by code stream organization. It remains all the features of Embedded Block Coding with Optimized Truncation (EBCOT) such as resolution progressive, good robust for error bit spread and compatibility of lossless compression. Well performed than other methods, it keeps the shortest standard codestream and decompression time and owns the ability of VIsual Progressive (VIP) coding.

  15. The ELOCA fuel modelling code: past, present and future

    International Nuclear Information System (INIS)

    Williams, A.F.

    2005-01-01

    ELOCA is the Industry Standard Toolset (IST) computer code for modelling CANDU fuel under the transient coolant conditions typical of an accident scenario. Since its original inception in the early 1970's, the code has undergone continual development and improvement. The code now embodies much of the knowledge and experience of fuel behaviour gained by the Canadian nuclear industry over this period. ELOCA has proven to be a valuable tool for the safety analyst, and continues to be used extensively to support the licensing cases of CANDU reactors. This paper provides a brief and much simplified view of this development history, its current status, and plans for future development. (author)

  16. Hamming Code Based Watermarking Scheme for 3D Model Verification

    Directory of Open Access Journals (Sweden)

    Jen-Tse Wang

    2014-01-01

    Full Text Available Due to the explosive growth of the Internet and maturing of 3D hardware techniques, protecting 3D objects becomes a more and more important issue. In this paper, a public hamming code based fragile watermarking technique is proposed for 3D objects verification. An adaptive watermark is generated from each cover model by using the hamming code technique. A simple least significant bit (LSB substitution technique is employed for watermark embedding. In the extraction stage, the hamming code based watermark can be verified by using the hamming code checking without embedding any verification information. Experimental results shows that 100% vertices of the cover model can be watermarked, extracted, and verified. It also shows that the proposed method can improve security and achieve low distortion of stego object.

  17. Modeling Guidelines for Code Generation in the Railway Signaling Context

    Science.gov (United States)

    Ferrari, Alessio; Bacherini, Stefano; Fantechi, Alessandro; Zingoni, Niccolo

    2009-01-01

    Modeling guidelines constitute one of the fundamental cornerstones for Model Based Development. Their relevance is essential when dealing with code generation in the safety-critical domain. This article presents the experience of a railway signaling systems manufacturer on this issue. Introduction of Model-Based Development (MBD) and code generation in the industrial safety-critical sector created a crucial paradigm shift in the development process of dependable systems. While traditional software development focuses on the code, with MBD practices the focus shifts to model abstractions. The change has fundamental implications for safety-critical systems, which still need to guarantee a high degree of confidence also at code level. Usage of the Simulink/Stateflow platform for modeling, which is a de facto standard in control software development, does not ensure by itself production of high-quality dependable code. This issue has been addressed by companies through the definition of modeling rules imposing restrictions on the usage of design tools components, in order to enable production of qualified code. The MAAB Control Algorithm Modeling Guidelines (MathWorks Automotive Advisory Board)[3] is a well established set of publicly available rules for modeling with Simulink/Stateflow. This set of recommendations has been developed by a group of OEMs and suppliers of the automotive sector with the objective of enforcing and easing the usage of the MathWorks tools within the automotive industry. The guidelines have been published in 2001 and afterwords revisited in 2007 in order to integrate some additional rules developed by the Japanese division of MAAB [5]. The scope of the current edition of the guidelines ranges from model maintainability and readability to code generation issues. The rules are conceived as a reference baseline and therefore they need to be tailored to comply with the characteristics of each industrial context. Customization of these

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

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Guoxiang; Zheng, Zuoping; Wan, Jiamin

    2004-01-28

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Hagemann, Sven; Schoenwiese, Dagmar; Scharge, Tina

    2015-07-15

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

  20. MARS CODE MANUAL VOLUME V: Models and Correlations

    International Nuclear Information System (INIS)

    Chung, Bub Dong; Bae, Sung Won; Lee, Seung Wook; Yoon, Churl; Hwang, Moon Kyu; Kim, Kyung Doo; Jeong, Jae Jun

    2010-02-01

    Korea Advanced Energy Research Institute (KAERI) conceived and started the development of MARS code with the main objective of producing a state-of-the-art realistic thermal hydraulic systems analysis code with multi-dimensional analysis capability. MARS achieves this objective by very tightly integrating the one dimensional RELAP5/MOD3 with the multi-dimensional COBRA-TF codes. The method of integration of the two codes is based on the dynamic link library techniques, and the system pressure equation matrices of both codes are implicitly integrated and solved simultaneously. In addition, the Equation-Of-State (EOS) for the light water was unified by replacing the EOS of COBRA-TF by that of the RELAP5. This models and correlations manual provides a complete list of detailed information of the thermal-hydraulic models used in MARS, so that this report would be very useful for the code users. The overall structure of the manual is modeled on the structure of the RELAP5 and as such the layout of the manual is very similar to that of the RELAP. This similitude to RELAP5 input is intentional as this input scheme will allow minimum modification between the inputs of RELAP5 and MARS3.1. MARS3.1 development team would like to express its appreciation to the RELAP5 Development Team and the USNRC for making this manual possible

  1. The drift flux model in the ASSERT subchannel code

    International Nuclear Information System (INIS)

    Carver, M.B.; Judd, R.A.; Kiteley, J.C.; Tahir, A.

    1987-01-01

    The ASSERT subchannel code has been developed specifically to model flow and phase distributions within CANDU fuel bundles. ASSERT uses a drift-flux model that permits the phases to have unequal velocities, and can thus model phase separation tendencies that may occur in horizontal flow. The basic principles of ASSERT are outlined, and computed results are compared against data from various experiments for validation purposes. The paper concludes with an example of the use of the code to predict critical heat flux in CANDU geometries

  2. Fuel rod modelling during transients: The TOUTATIS code

    International Nuclear Information System (INIS)

    Bentejac, F.; Bourreau, S.; Brochard, J.; Hourdequin, N.; Lansiart, S.

    2001-01-01

    The TOUTATIS code is devoted to the PCI local phenomena simulation, in correlation with the METEOR code for the global behaviour of the fuel rod. More specifically, the TOUTATIS objective is to evaluate the mechanical constraints on the cladding during a power transient thus predicting its behaviour in term of stress corrosion cracking. Based upon the finite element computation code CASTEM 2000, TOUTATIS is a set of modules written in a macro language. The aim of this paper is to present both code modules: The axisymmetric bi-dimensional module, modeling a unique block pellet; The tri dimensional module modeling a radially fragmented pellet. Having shown the boundary conditions and the algorithms used, the application will be illustrated by: A short presentation of the bidimensional axisymmetric modeling performances as well as its limits; The enhancement due to the three dimensional modeling will be displayed by sensitivity studies to the geometry, in this case the pellet height/diameter ratio. Finally, we will show the easiness of the development inherent to the CASTEM 2000 system by depicting the process of a modeling enhancement by adding the possibility of an axial (horizontal) fissuration of the pellet. As conclusion, the future improvements planned for the code are depicted. (author)

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

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

    International Nuclear Information System (INIS)

    Carucci, Valentina; Petitta, Marco; Aravena, Ramon

    2012-01-01

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

  5. Universal Regularizers For Robust Sparse Coding and Modeling

    OpenAIRE

    Ramirez, Ignacio; Sapiro, Guillermo

    2010-01-01

    Sparse data models, where data is assumed to be well represented as a linear combination of a few elements from a dictionary, have gained considerable attention in recent years, and their use has led to state-of-the-art results in many signal and image processing tasks. It is now well understood that the choice of the sparsity regularization term is critical in the success of such models. Based on a codelength minimization interpretation of sparse coding, and using tools from universal coding...

  6. Model-Driven Engineering of Machine Executable Code

    Science.gov (United States)

    Eichberg, Michael; Monperrus, Martin; Kloppenburg, Sven; Mezini, Mira

    Implementing static analyses of machine-level executable code is labor intensive and complex. We show how to leverage model-driven engineering to facilitate the design and implementation of programs doing static analyses. Further, we report on important lessons learned on the benefits and drawbacks while using the following technologies: using the Scala programming language as target of code generation, using XML-Schema to express a metamodel, and using XSLT to implement (a) transformations and (b) a lint like tool. Finally, we report on the use of Prolog for writing model transformations.

  7. An improved thermal model for the computer code NAIAD

    International Nuclear Information System (INIS)

    Rainbow, M.T.

    1982-12-01

    An improved thermal model, based on the concept of heat slabs, has been incorporated as an option into the thermal hydraulic computer code NAIAD. The heat slabs are one-dimensional thermal conduction models with temperature independent thermal properties which may be internal and/or external to the fluid. Thermal energy may be added to or removed from the fluid via heat slabs and passed across the external boundary of external heat slabs at a rate which is a linear function of the external surface temperatures. The code input for the new option has been restructured to simplify data preparation. A full description of current input requirements is presented

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

    Science.gov (United States)

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

    2014-01-01

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

  9. Anthropomorphic Coding of Speech and Audio: A Model Inversion Approach

    Directory of Open Access Journals (Sweden)

    W. Bastiaan Kleijn

    2005-06-01

    Full Text Available Auditory modeling is a well-established methodology that provides insight into human perception and that facilitates the extraction of signal features that are most relevant to the listener. The aim of this paper is to provide a tutorial on perceptual speech and audio coding using an invertible auditory model. In this approach, the audio signal is converted into an auditory representation using an invertible auditory model. The auditory representation is quantized and coded. Upon decoding, it is then transformed back into the acoustic domain. This transformation converts a complex distortion criterion into a simple one, thus facilitating quantization with low complexity. We briefly review past work on auditory models and describe in more detail the components of our invertible model and its inversion procedure, that is, the method to reconstruct the signal from the output of the auditory model. We summarize attempts to use the auditory representation for low-bit-rate coding. Our approach also allows the exploitation of the inherent redundancy of the human auditory system for the purpose of multiple description (joint source-channel coding.

  10. Data model description for the DESCARTES and CIDER codes

    International Nuclear Information System (INIS)

    Miley, T.B.; Ouderkirk, S.J.; Nichols, W.E.; Eslinger, P.W.

    1993-01-01

    The primary objective of the Hanford Environmental Dose Reconstruction (HEDR) Project is to estimate the radiation dose that individuals could have received as a result of emissions since 1944 from the US Department of Energy's (DOE) Hanford Site near Richland, Washington. One of the major objectives of the HEDR Project is to develop several computer codes to model the airborne releases. transport and envirorunental accumulation of radionuclides resulting from Hanford operations from 1944 through 1972. In July 1992, the HEDR Project Manager determined that the computer codes being developed (DESCARTES, calculation of environmental accumulation from airborne releases, and CIDER, dose calculations from environmental accumulation) were not sufficient to create accurate models. A team of HEDR staff members developed a plan to assure that computer codes would meet HEDR Project goals. The plan consists of five tasks: (1) code requirements definition. (2) scoping studies, (3) design specifications, (4) benchmarking, and (5) data modeling. This report defines the data requirements for the DESCARTES and CIDER codes

  11. COCOA code for creating mock observations of star cluster models

    Science.gov (United States)

    Askar, Abbas; Giersz, Mirek; Pych, Wojciech; Dalessandro, Emanuele

    2018-04-01

    We introduce and present results from the COCOA (Cluster simulatiOn Comparison with ObservAtions) code that has been developed to create idealized mock photometric observations using results from numerical simulations of star cluster evolution. COCOA is able to present the output of realistic numerical simulations of star clusters carried out using Monte Carlo or N-body codes in a way that is useful for direct comparison with photometric observations. In this paper, we describe the COCOA code and demonstrate its different applications by utilizing globular cluster (GC) models simulated with the MOCCA (MOnte Carlo Cluster simulAtor) code. COCOA is used to synthetically observe these different GC models with optical telescopes, perform point spread function photometry, and subsequently produce observed colour-magnitude diagrams. We also use COCOA to compare the results from synthetic observations of a cluster model that has the same age and metallicity as the Galactic GC NGC 2808 with observations of the same cluster carried out with a 2.2 m optical telescope. We find that COCOA can effectively simulate realistic observations and recover photometric data. COCOA has numerous scientific applications that maybe be helpful for both theoreticians and observers that work on star clusters. Plans for further improving and developing the code are also discussed in this paper.

  12. Code-code comparisons of DIVIMP's 'onion-skin model' and the EDGE2D fluid code

    International Nuclear Information System (INIS)

    Stangeby, P.C.; Elder, J.D.; Horton, L.D.; Simonini, R.; Taroni, A.; Matthews, O.F.; Monk, R.D.

    1997-01-01

    In onion-skin modelling, O-SM, of the edge plasma, the cross-field power and particle flows are treated very simply e.g. as spatially uniform. The validity of O-S modelling requires demonstration that such approximations can still result in reasonable solutions for the edge plasma. This is demonstrated here by comparison of O-SM with full 2D fluid edge solutions generated by the EDGE2D code. The target boundary conditions for the O-SM are taken from the EDGE2D output and the complete O-SM solutions are then compared with the EDGE2D ones. Agreement is generally within 20% for n e , T e , T i and parallel particle flux density Γ for the medium and high recycling JET cases examined and somewhat less good for a strongly detached CMOD example. (orig.)

  13. Advanced Electric and Magnetic Material Models for FDTD Electromagnetic Codes

    CERN Document Server

    Poole, Brian R; Nelson, Scott D

    2005-01-01

    The modeling of dielectric and magnetic materials in the time domain is required for pulse power applications, pulsed induction accelerators, and advanced transmission lines. For example, most induction accelerator modules require the use of magnetic materials to provide adequate Volt-sec during the acceleration pulse. These models require hysteresis and saturation to simulate the saturation wavefront in a multipulse environment. In high voltage transmission line applications such as shock or soliton lines the dielectric is operating in a highly nonlinear regime, which requires nonlinear models. Simple 1-D models are developed for fast parameterization of transmission line structures. In the case of nonlinear dielectrics, a simple analytic model describing the permittivity in terms of electric field is used in a 3-D finite difference time domain code (FDTD). In the case of magnetic materials, both rate independent and rate dependent Hodgdon magnetic material models have been implemented into 3-D FDTD codes an...

  14. Radiation transport phenomena and modeling - part A: Codes

    International Nuclear Information System (INIS)

    Lorence, L.J.

    1997-01-01

    The need to understand how particle radiation (high-energy photons and electrons) from a variety of sources affects materials and electronics has motivated the development of sophisticated computer codes that describe how radiation with energies from 1.0 keV to 100.0 GeV propagates through matter. Predicting radiation transport is the necessary first step in predicting radiation effects. The radiation transport codes that are described here are general-purpose codes capable of analyzing a variety of radiation environments including those produced by nuclear weapons (x-rays, gamma rays, and neutrons), by sources in space (electrons and ions) and by accelerators (x-rays, gamma rays, and electrons). Applications of these codes include the study of radiation effects on electronics, nuclear medicine (imaging and cancer treatment), and industrial processes (food disinfestation, waste sterilization, manufacturing.) The primary focus will be on coupled electron-photon transport codes, with some brief discussion of proton transport. These codes model a radiation cascade in which electrons produce photons and vice versa. This coupling between particles of different types is important for radiation effects. For instance, in an x-ray environment, electrons are produced that drive the response in electronics. In an electron environment, dose due to bremsstrahlung photons can be significant once the source electrons have been stopped

  15. Three-dimensional modeling with finite element codes

    Energy Technology Data Exchange (ETDEWEB)

    Druce, R.L.

    1986-01-17

    This paper describes work done to model magnetostatic field problems in three dimensions. Finite element codes, available at LLNL, and pre- and post-processors were used in the solution of the mathematical model, the output from which agreed well with the experimentally obtained data. The geometry used in this work was a cylinder with ports in the periphery and no current sources in the space modeled. 6 refs., 8 figs.

  16. Code Development for Control Design Applications: Phase I: Structural Modeling

    International Nuclear Information System (INIS)

    Bir, G. S.; Robinson, M.

    1998-01-01

    The design of integrated controls for a complex system like a wind turbine relies on a system model in an explicit format, e.g., state-space format. Current wind turbine codes focus on turbine simulation and not on system characterization, which is desired for controls design as well as applications like operating turbine model analysis, optimal design, and aeroelastic stability analysis. This paper reviews structural modeling that comprises three major steps: formation of component equations, assembly into system equations, and linearization

  17. Verification and Validation of Heat Transfer Model of AGREE Code

    Energy Technology Data Exchange (ETDEWEB)

    Tak, N. I. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Seker, V.; Drzewiecki, T. J.; Downar, T. J. [Department of Nuclear Engineering and Radiological Sciences, Univ. of Michigan, Michigan (United States); Kelly, J. M. [US Nuclear Regulatory Commission, Washington (United States)

    2013-05-15

    The AGREE code was originally developed as a multi physics simulation code to perform design and safety analysis of Pebble Bed Reactors (PBR). Currently, additional capability for the analysis of Prismatic Modular Reactor (PMR) core is in progress. Newly implemented fluid model for a PMR core is based on a subchannel approach which has been widely used in the analyses of light water reactor (LWR) cores. A hexagonal fuel (or graphite block) is discretized into triangular prism nodes having effective conductivities. Then, a meso-scale heat transfer model is applied to the unit cell geometry of a prismatic fuel block. Both unit cell geometries of multi-hole and pin-in-hole types of prismatic fuel blocks are considered in AGREE. The main objective of this work is to verify and validate the heat transfer model newly implemented for a PMR core in the AGREE code. The measured data in the HENDEL experiment were used for the validation of the heat transfer model for a pin-in-hole fuel block. However, the HENDEL tests were limited to only steady-state conditions of pin-in-hole fuel blocks. There exist no available experimental data regarding a heat transfer in multi-hole fuel blocks. Therefore, numerical benchmarks using conceptual problems are considered to verify the heat transfer model of AGREE for multi-hole fuel blocks as well as transient conditions. The CORONA and GAMMA+ codes were used to compare the numerical results. In this work, the verification and validation study were performed for the heat transfer model of the AGREE code using the HENDEL experiment and the numerical benchmarks of selected conceptual problems. The results of the present work show that the heat transfer model of AGREE is accurate and reliable for prismatic fuel blocks. Further validation of AGREE is in progress for a whole reactor problem using the HTTR safety test data such as control rod withdrawal tests and loss-of-forced convection tests.

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

    International Nuclear Information System (INIS)

    Baumann, J.

    1991-04-01

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

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

    Science.gov (United States)

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

    2012-12-01

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

  20. Performance Theories for Sentence Coding: Some Quantitative Models

    Science.gov (United States)

    Aaronson, Doris; And Others

    1977-01-01

    This study deals with the patterns of word-by-word reading times over a sentence when the subject must code the linguistic information sufficiently for immediate verbatim recall. A class of quantitative models is considered that would account for reading times at phrase breaks. (Author/RM)

  1. Modeling of PHWR fuel elements using FUDA code

    International Nuclear Information System (INIS)

    Tripathi, Rahul Mani; Soni, Rakesh; Prasad, P.N.; Pandarinathan, P.R.

    2008-01-01

    The computer code FUDA (Fuel Design Analysis) is used for modeling PHWR fuel bundle operation history and carry out fuel element thermo-mechanical analysis. The radial temperature profile across fuel and sheath, fission gas release, internal gas pressure, sheath stress and strains during the life of fuel bundle are estimated

  2. 28 CFR 36.608 - Guidance concerning model codes.

    Science.gov (United States)

    2010-07-01

    ... Section 36.608 Judicial Administration DEPARTMENT OF JUSTICE NONDISCRIMINATION ON THE BASIS OF DISABILITY BY PUBLIC ACCOMMODATIONS AND IN COMMERCIAL FACILITIES Certification of State Laws or Local Building... private entity responsible for developing a model code, the Assistant Attorney General may review the...

  3. Code Shift: Grid Specifications and Dynamic Wind Turbine Models

    DEFF Research Database (Denmark)

    Ackermann, Thomas; Ellis, Abraham; Fortmann, Jens

    2013-01-01

    Grid codes (GCs) and dynamic wind turbine (WT) models are key tools to allow increasing renewable energy penetration without challenging security of supply. In this article, the state of the art and the further development of both tools are discussed, focusing on the European and North American e...

  4. EMPIRE-II statistical model code for nuclear reaction calculations

    Energy Technology Data Exchange (ETDEWEB)

    Herman, M [International Atomic Energy Agency, Vienna (Austria)

    2001-12-15

    EMPIRE II is a nuclear reaction code, comprising various nuclear models, and designed for calculations in the broad range of energies and incident particles. A projectile can be any nucleon or Heavy Ion. The energy range starts just above the resonance region, in the case of neutron projectile, and extends up to few hundreds of MeV for Heavy Ion induced reactions. The code accounts for the major nuclear reaction mechanisms, such as optical model (SCATB), Multistep Direct (ORION + TRISTAN), NVWY Multistep Compound, and the full featured Hauser-Feshbach model. Heavy Ion fusion cross section can be calculated within the simplified coupled channels approach (CCFUS). A comprehensive library of input parameters covers nuclear masses, optical model parameters, ground state deformations, discrete levels and decay schemes, level densities, fission barriers (BARFIT), moments of inertia (MOMFIT), and {gamma}-ray strength functions. Effects of the dynamic deformation of a fast rotating nucleus can be taken into account in the calculations. The results can be converted into the ENDF-VI format using the accompanying code EMPEND. The package contains the full EXFOR library of experimental data. Relevant EXFOR entries are automatically retrieved during the calculations. Plots comparing experimental results with the calculated ones can be produced using X4TOC4 and PLOTC4 codes linked to the rest of the system through bash-shell (UNIX) scripts. The graphic user interface written in Tcl/Tk is provided. (author)

  5. Recent improvements of the TNG statistical model code

    International Nuclear Information System (INIS)

    Shibata, K.; Fu, C.Y.

    1986-08-01

    The applicability of the nuclear model code TNG to cross-section evaluations has been extended. The new TNG is capable of using variable bins for outgoing particle energies. Moreover, three additional quantities can now be calculated: capture gamma-ray spectrum, the precompound mode of the (n,γ) reaction, and fission cross section. In this report, the new features of the code are described together with some sample calculations and a brief explanation of the input data. 15 refs., 6 figs., 2 tabs

  6. Modeling RERTR experimental fuel plates using the PLATE code

    International Nuclear Information System (INIS)

    Hayes, S.L.; Meyer, M.K.; Hofman, G.L.; Snelgrove, J.L.; Brazener, R.A.

    2003-01-01

    Modeling results using the PLATE dispersion fuel performance code are presented for the U-Mo/Al experimental fuel plates from the RERTR-1, -2, -3 and -5 irradiation tests. Agreement of the calculations with experimental data obtained in post-irradiation examinations of these fuels, where available, is shown to be good. Use of the code to perform a series of parametric evaluations highlights the sensitivity of U-Mo dispersion fuel performance to fabrication variables, especially fuel particle shape and size distributions. (author)

  7. Thermohydraulic modeling of nuclear thermal rockets: The KLAXON code

    International Nuclear Information System (INIS)

    Hall, M.L.; Rider, W.J.; Cappiello, M.W.

    1992-01-01

    The hydrogen flow from the storage tanks, through the reactor core, and out the nozzle of a Nuclear Thermal Rocket is an integral design consideration. To provide an analysis and design tool for this phenomenon, the KLAXON code is being developed. A shock-capturing numerical methodology is used to model the gas flow (the Harten, Lax, and van Leer method, as implemented by Einfeldt). Preliminary results of modeling the flow through the reactor core and nozzle are given in this paper

  8. Automatic modeling for the monte carlo transport TRIPOLI code

    International Nuclear Information System (INIS)

    Zhang Junjun; Zeng Qin; Wu Yican; Wang Guozhong; FDS Team

    2010-01-01

    TRIPOLI, developed by CEA, France, is Monte Carlo particle transport simulation code. It has been widely applied to nuclear physics, shielding design, evaluation of nuclear safety. However, it is time-consuming and error-prone to manually describe the TRIPOLI input file. This paper implemented bi-directional conversion between CAD model and TRIPOLI model. Its feasibility and efficiency have been demonstrated by several benchmarking examples. (authors)

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

    International Nuclear Information System (INIS)

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

    1994-01-01

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

  10. Steam generator and circulator model for the HELAP code

    International Nuclear Information System (INIS)

    Ludewig, H.

    1975-07-01

    An outline is presented of the work carried out in the 1974 fiscal year on the GCFBR safety research project consisting of the development of improved steam generator and circulator (steam turbine driven helium compressor) models which will eventually be inserted in the HELAP (1) code. Furthermore, a code was developed which will be used to generate steady state input for the primary and secondary sides of the steam generator. The following conclusions and suggestions for further work are made: (1) The steam-generator and circulator model are consistent with the volume and junction layout used in HELAP, (2) with minor changes these models, when incorporated in HELAP, could be used to simulate a direct cycle plant, (3) an explicit control valve model is still to be developed and would be very desirable to control the flow to the turbine during a transient (initially this flow will be controlled by using the existing check valve model); (4) the friction factor in the laminar flow region is computed inaccurately, this might cause significant errors in loss-of-flow accidents; and (5) it is felt that HELAP will still use a large amount of computer time and will thus be limited to design basis accidents without scram or loss of flow transients with and without scram. Finally it may also be used as a test bed for the development of prototype component models which would be incorporated in a more sophisticated system code, developed specifically for GCFBR's

  11. Background-Modeling-Based Adaptive Prediction for Surveillance Video Coding.

    Science.gov (United States)

    Zhang, Xianguo; Huang, Tiejun; Tian, Yonghong; Gao, Wen

    2014-02-01

    The exponential growth of surveillance videos presents an unprecedented challenge for high-efficiency surveillance video coding technology. Compared with the existing coding standards that were basically developed for generic videos, surveillance video coding should be designed to make the best use of the special characteristics of surveillance videos (e.g., relative static background). To do so, this paper first conducts two analyses on how to improve the background and foreground prediction efficiencies in surveillance video coding. Following the analysis results, we propose a background-modeling-based adaptive prediction (BMAP) method. In this method, all blocks to be encoded are firstly classified into three categories. Then, according to the category of each block, two novel inter predictions are selectively utilized, namely, the background reference prediction (BRP) that uses the background modeled from the original input frames as the long-term reference and the background difference prediction (BDP) that predicts the current data in the background difference domain. For background blocks, the BRP can effectively improve the prediction efficiency using the higher quality background as the reference; whereas for foreground-background-hybrid blocks, the BDP can provide a better reference after subtracting its background pixels. Experimental results show that the BMAP can achieve at least twice the compression ratio on surveillance videos as AVC (MPEG-4 Advanced Video Coding) high profile, yet with a slightly additional encoding complexity. Moreover, for the foreground coding performance, which is crucial to the subjective quality of moving objects in surveillance videos, BMAP also obtains remarkable gains over several state-of-the-art methods.

  12. An improved steam generator model for the SASSYS code

    International Nuclear Information System (INIS)

    Pizzica, P.A.

    1989-01-01

    A new steam generator model has been developed for the SASSYS computer code, which analyzes accident conditions in a liquid-metal-cooled fast reactor. It has been incorporated into the new SASSYS balance-of-plant model, but it can also function as a stand-alone model. The model provides a full solution of the steady-state condition before the transient calculation begins for given sodium and water flow rates, inlet and outlet sodium temperatures, and inlet enthalpy and region lengths on the water side

  13. Lead transport in intra-oceanic subduction zones: 2D geochemical-thermo-mechanical modeling of isotopic signatures

    NARCIS (Netherlands)

    Baitsch-Ghirardello, B.; Stracke, A.; Connolly, J.A.D.; Nikolaeva, K.M.; Gerya, T.V.

    2014-01-01

    Understanding the physical-chemical mechanisms and pathways of geochemical transport in subduction zones remains a long-standing goal of subduction-related research. In this study, we perform fully coupled geochemical-thermo-mechanical (GcTM) numerical simulations to investigate Pb isotopic

  14. Dual coding: a cognitive model for psychoanalytic research.

    Science.gov (United States)

    Bucci, W

    1985-01-01

    Four theories of mental representation derived from current experimental work in cognitive psychology have been discussed in relation to psychoanalytic theory. These are: verbal mediation theory, in which language determines or mediates thought; perceptual dominance theory, in which imagistic structures are dominant; common code or propositional models, in which all information, perceptual or linguistic, is represented in an abstract, amodal code; and dual coding, in which nonverbal and verbal information are each encoded, in symbolic form, in separate systems specialized for such representation, and connected by a complex system of referential relations. The weight of current empirical evidence supports the dual code theory. However, psychoanalysis has implicitly accepted a mixed model-perceptual dominance theory applying to unconscious representation, and verbal mediation characterizing mature conscious waking thought. The characterization of psychoanalysis, by Schafer, Spence, and others, as a domain in which reality is constructed rather than discovered, reflects the application of this incomplete mixed model. The representations of experience in the patient's mind are seen as without structure of their own, needing to be organized by words, thus vulnerable to distortion or dissolution by the language of the analyst or the patient himself. In these terms, hypothesis testing becomes a meaningless pursuit; the propositions of the theory are no longer falsifiable; the analyst is always more or less "right." This paper suggests that the integrated dual code formulation provides a more coherent theoretical framework for psychoanalysis than the mixed model, with important implications for theory and technique. In terms of dual coding, the problem is not that the nonverbal representations are vulnerable to distortion by words, but that the words that pass back and forth between analyst and patient will not affect the nonverbal schemata at all. Using the dual code

  15. Phenomenological optical potentials and optical model computer codes

    International Nuclear Information System (INIS)

    Prince, A.

    1980-01-01

    An introduction to the Optical Model is presented. Starting with the purpose and nature of the physical problems to be analyzed, a general formulation and the various phenomenological methods of solution are discussed. This includes the calculation of observables based on assumed potentials such as local and non-local and their forms, e.g. Woods-Saxon, folded model etc. Also discussed are the various calculational methods and model codes employed to describe nuclear reactions in the spherical and deformed regions (e.g. coupled-channel analysis). An examination of the numerical solutions and minimization techniques associated with the various codes, is briefly touched upon. Several computer programs are described for carrying out the calculations. The preparation of input, (formats and options), determination of model parameters and analysis of output are described. The class is given a series of problems to carry out using the available computer. Interpretation and evaluation of the samples includes the effect of varying parameters, and comparison of calculations with the experimental data. Also included is an intercomparison of the results from the various model codes, along with their advantages and limitations. (author)

  16. Improvement of blow down model for LEAP code

    International Nuclear Information System (INIS)

    Itooka, Satoshi; Fujimata, Kazuhiro

    2003-03-01

    In Japan Nuclear Cycle Development Institute, the improvement of analysis method for overheating tube rapture was studied for the accident of sodium-water reactions in the steam generator of a fast breeder reactor and the evaluation of heat transfer condition in the tube were carried out based on study of critical heat flux (CHF) and post-CHF heat transfer equation in Light Water Reactors. In this study, the improvement of blow down model for the LEAP code was carried out taking into consideration the above-mentioned evaluation of heat transfer condition. Improvements of the LEAP code were following items. Calculations and verification were performed with the improved LEAP code in order to confirm the code functions. The addition of critical heat flux (CHF) by the formula of Katto and the formula of Tong. The addition of post-CHF heat transfer equation by the formula of Condie-BengstonIV and the formula of Groeneveld 5.9. The physical properties of the water and steam are expanded to the critical conditions of the water. The expansion of the total number of section and the improvement of the input form. The addition of the function to control the valve setting by the PID control model. (author)

  17. Geochemical controls on groundwater chemistry in shales

    International Nuclear Information System (INIS)

    Von Damm, K.L.

    1989-01-01

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

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

    Science.gov (United States)

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

  19. The 2010 fib Model Code for Structural Concrete: A new approach to structural engineering

    NARCIS (Netherlands)

    Walraven, J.C.; Bigaj-Van Vliet, A.

    2011-01-01

    The fib Model Code is a recommendation for the design of reinforced and prestressed concrete which is intended to be a guiding document for future codes. Model Codes have been published before, in 1978 and 1990. The draft for fib Model Code 2010 was published in May 2010. The most important new

  20. Plutonium explosive dispersal modeling using the MACCS2 computer code

    International Nuclear Information System (INIS)

    Steele, C.M.; Wald, T.L.; Chanin, D.I.

    1998-01-01

    The purpose of this paper is to derive the necessary parameters to be used to establish a defensible methodology to perform explosive dispersal modeling of respirable plutonium using Gaussian methods. A particular code, MACCS2, has been chosen for this modeling effort due to its application of sophisticated meteorological statistical sampling in accordance with the philosophy of Nuclear Regulatory Commission (NRC) Regulatory Guide 1.145, ''Atmospheric Dispersion Models for Potential Accident Consequence Assessments at Nuclear Power Plants''. A second advantage supporting the selection of the MACCS2 code for modeling purposes is that meteorological data sets are readily available at most Department of Energy (DOE) and NRC sites. This particular MACCS2 modeling effort focuses on the calculation of respirable doses and not ground deposition. Once the necessary parameters for the MACCS2 modeling are developed and presented, the model is benchmarked against empirical test data from the Double Tracks shot of project Roller Coaster (Shreve 1965) and applied to a hypothetical plutonium explosive dispersal scenario. Further modeling with the MACCS2 code is performed to determine a defensible method of treating the effects of building structure interaction on the respirable fraction distribution as a function of height. These results are related to the Clean Slate 2 and Clean Slate 3 bunkered shots of Project Roller Coaster. Lastly a method is presented to determine the peak 99.5% sector doses on an irregular site boundary in the manner specified in NRC Regulatory Guide 1.145 (1983). Parametric analyses are performed on the major analytic assumptions in the MACCS2 model to define the potential errors that are possible in using this methodology

  1. Plutonium explosive dispersal modeling using the MACCS2 computer code

    Energy Technology Data Exchange (ETDEWEB)

    Steele, C.M.; Wald, T.L.; Chanin, D.I.

    1998-11-01

    The purpose of this paper is to derive the necessary parameters to be used to establish a defensible methodology to perform explosive dispersal modeling of respirable plutonium using Gaussian methods. A particular code, MACCS2, has been chosen for this modeling effort due to its application of sophisticated meteorological statistical sampling in accordance with the philosophy of Nuclear Regulatory Commission (NRC) Regulatory Guide 1.145, ``Atmospheric Dispersion Models for Potential Accident Consequence Assessments at Nuclear Power Plants``. A second advantage supporting the selection of the MACCS2 code for modeling purposes is that meteorological data sets are readily available at most Department of Energy (DOE) and NRC sites. This particular MACCS2 modeling effort focuses on the calculation of respirable doses and not ground deposition. Once the necessary parameters for the MACCS2 modeling are developed and presented, the model is benchmarked against empirical test data from the Double Tracks shot of project Roller Coaster (Shreve 1965) and applied to a hypothetical plutonium explosive dispersal scenario. Further modeling with the MACCS2 code is performed to determine a defensible method of treating the effects of building structure interaction on the respirable fraction distribution as a function of height. These results are related to the Clean Slate 2 and Clean Slate 3 bunkered shots of Project Roller Coaster. Lastly a method is presented to determine the peak 99.5% sector doses on an irregular site boundary in the manner specified in NRC Regulatory Guide 1.145 (1983). Parametric analyses are performed on the major analytic assumptions in the MACCS2 model to define the potential errors that are possible in using this methodology.

  2. The WARP Code: Modeling High Intensity Ion Beams

    International Nuclear Information System (INIS)

    Grote, David P.; Friedman, Alex; Vay, Jean-Luc; Haber, Irving

    2005-01-01

    The Warp code, developed for heavy-ion driven inertial fusion energy studies, is used to model high intensity ion (and electron) beams. Significant capability has been incorporated in Warp, allowing nearly all sections of an accelerator to be modeled, beginning with the source. Warp has as its core an explicit, three-dimensional, particle-in-cell model. Alongside this is a rich set of tools for describing the applied fields of the accelerator lattice, and embedded conducting surfaces (which are captured at sub-grid resolution). Also incorporated are models with reduced dimensionality: an axisymmetric model and a transverse ''slice'' model. The code takes advantage of modern programming techniques, including object orientation, parallelism, and scripting (via Python). It is at the forefront in the use of the computational technique of adaptive mesh refinement, which has been particularly successful in the area of diode and injector modeling, both steady-state and time-dependent. In the presentation, some of the major aspects of Warp will be overviewed, especially those that could be useful in modeling ECR sources. Warp has been benchmarked against both theory and experiment. Recent results will be presented showing good agreement of Warp with experimental results from the STS500 injector test stand

  3. The WARP Code: Modeling High Intensity Ion Beams

    International Nuclear Information System (INIS)

    Grote, D P; Friedman, A; Vay, J L; Haber, I

    2004-01-01

    The Warp code, developed for heavy-ion driven inertial fusion energy studies, is used to model high intensity ion (and electron) beams. Significant capability has been incorporated in Warp, allowing nearly all sections of an accelerator to be modeled, beginning with the source. Warp has as its core an explicit, three-dimensional, particle-in-cell model. Alongside this is a rich set of tools for describing the applied fields of the accelerator lattice, and embedded conducting surfaces (which are captured at sub-grid resolution). Also incorporated are models with reduced dimensionality: an axisymmetric model and a transverse ''slice'' model. The code takes advantage of modern programming techniques, including object orientation, parallelism, and scripting (via Python). It is at the forefront in the use of the computational technique of adaptive mesh refinement, which has been particularly successful in the area of diode and injector modeling, both steady-state and time-dependent. In the presentation, some of the major aspects of Warp will be overviewed, especially those that could be useful in modeling ECR sources. Warp has been benchmarked against both theory and experiment. Recent results will be presented showing good agreement of Warp with experimental results from the STS500 injector test stand. Additional information can be found on the web page http://hif.lbl.gov/theory/WARP( ) summary.html

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

    International Nuclear Information System (INIS)

    Kassenga, G.R.

    2005-01-01

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

  5. Optical model calculations with the code ECIS95

    Energy Technology Data Exchange (ETDEWEB)

    Carlson, B V [Departamento de Fisica, Instituto Tecnologico da Aeronautica, Centro Tecnico Aeroespacial (Brazil)

    2001-12-15

    The basic features of elastic and inelastic scattering within the framework of the spherical and deformed nuclear optical models are discussed. The calculation of cross sections, angular distributions and other scattering quantities using J. Raynal's code ECIS95 is described. The use of the ECIS method (Equations Couplees en Iterations Sequentielles) in coupled-channels and distorted-wave Born approximation calculations is also reviewed. (author)

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

    Science.gov (United States)

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

    2014-09-01

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

  7. International codes and model intercomparison for intermediate energy activation yields

    International Nuclear Information System (INIS)

    Rolf, M.; Nagel, P.

    1997-01-01

    The motivation for this intercomparison came from data needs of accelerator-based waste transmutation, energy amplification and medical therapy. The aim of this exercise is to determine the degree of reliability of current nuclear reaction models and codes when calculating activation yields in the intermediate energy range up to 5000 MeV. Emphasis has been placed for a wide range of target elements ( O, Al, Fe, Co, Zr and Au). This work is mainly based on calculation of (P,xPyN) integral cross section for incident proton. A qualitative description of some of the nuclear models and code options employed is made. The systematics of graphical presentation of the results allows a quick quantitative measure of agreement or deviation. This code intercomparison highlights the fact that modeling calculations of energy activation yields may at best have uncertainties of a factor of two. The causes of such discrepancies are multi-factorial. Problems are encountered which are connected with the calculation of nuclear masses, binding energies, Q-values, shell effects, medium energy fission and Fermi break-up. (A.C.)

  8. Film grain noise modeling in advanced video coding

    Science.gov (United States)

    Oh, Byung Tae; Kuo, C.-C. Jay; Sun, Shijun; Lei, Shawmin

    2007-01-01

    A new technique for film grain noise extraction, modeling and synthesis is proposed and applied to the coding of high definition video in this work. The film grain noise is viewed as a part of artistic presentation by people in the movie industry. On one hand, since the film grain noise can boost the natural appearance of pictures in high definition video, it should be preserved in high-fidelity video processing systems. On the other hand, video coding with film grain noise is expensive. It is desirable to extract film grain noise from the input video as a pre-processing step at the encoder and re-synthesize the film grain noise and add it back to the decoded video as a post-processing step at the decoder. Under this framework, the coding gain of the denoised video is higher while the quality of the final reconstructed video can still be well preserved. Following this idea, we present a method to remove film grain noise from image/video without distorting its original content. Besides, we describe a parametric model containing a small set of parameters to represent the extracted film grain noise. The proposed model generates the film grain noise that is close to the real one in terms of power spectral density and cross-channel spectral correlation. Experimental results are shown to demonstrate the efficiency of the proposed scheme.

  9. Direct containment heating models in the CONTAIN code

    International Nuclear Information System (INIS)

    Washington, K.E.; Williams, D.C.

    1995-08-01

    The potential exists in a nuclear reactor core melt severe accident for molten core debris to be dispersed under high pressure into the containment building. If this occurs, the set of phenomena that result in the transfer of energy to the containment atmosphere and its surroundings is referred to as direct containment heating (DCH). Because of the potential for DCH to lead to early containment failure, the U.S. Nuclear Regulatory Commission (USNRC) has sponsored an extensive research program consisting of experimental, analytical, and risk integration components. An important element of the analytical research has been the development and assessment of direct containment heating models in the CONTAIN code. This report documents the DCH models in the CONTAIN code. DCH models in CONTAIN for representing debris transport, trapping, chemical reactions, and heat transfer from debris to the containment atmosphere and surroundings are described. The descriptions include the governing equations and input instructions in CONTAIN unique to performing DCH calculations. Modifications made to the combustion models in CONTAIN for representing the combustion of DCH-produced and pre-existing hydrogen under DCH conditions are also described. Input table options for representing the discharge of debris from the RPV and the entrainment phase of the DCH process are also described. A sample calculation is presented to demonstrate the functionality of the models. The results show that reasonable behavior is obtained when the models are used to predict the sixth Zion geometry integral effects test at 1/10th scale

  10. Direct containment heating models in the CONTAIN code

    Energy Technology Data Exchange (ETDEWEB)

    Washington, K.E.; Williams, D.C.

    1995-08-01

    The potential exists in a nuclear reactor core melt severe accident for molten core debris to be dispersed under high pressure into the containment building. If this occurs, the set of phenomena that result in the transfer of energy to the containment atmosphere and its surroundings is referred to as direct containment heating (DCH). Because of the potential for DCH to lead to early containment failure, the U.S. Nuclear Regulatory Commission (USNRC) has sponsored an extensive research program consisting of experimental, analytical, and risk integration components. An important element of the analytical research has been the development and assessment of direct containment heating models in the CONTAIN code. This report documents the DCH models in the CONTAIN code. DCH models in CONTAIN for representing debris transport, trapping, chemical reactions, and heat transfer from debris to the containment atmosphere and surroundings are described. The descriptions include the governing equations and input instructions in CONTAIN unique to performing DCH calculations. Modifications made to the combustion models in CONTAIN for representing the combustion of DCH-produced and pre-existing hydrogen under DCH conditions are also described. Input table options for representing the discharge of debris from the RPV and the entrainment phase of the DCH process are also described. A sample calculation is presented to demonstrate the functionality of the models. The results show that reasonable behavior is obtained when the models are used to predict the sixth Zion geometry integral effects test at 1/10th scale.

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

    International Nuclear Information System (INIS)

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

    1989-08-01

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

  12. Development of Parallel Code for the Alaska Tsunami Forecast Model

    Science.gov (United States)

    Bahng, B.; Knight, W. R.; Whitmore, P.

    2014-12-01

    The Alaska Tsunami Forecast Model (ATFM) is a numerical model used to forecast propagation and inundation of tsunamis generated by earthquakes and other means in both the Pacific and Atlantic Oceans. At the U.S. National Tsunami Warning Center (NTWC), the model is mainly used in a pre-computed fashion. That is, results for hundreds of hypothetical events are computed before alerts, and are accessed and calibrated with observations during tsunamis to immediately produce forecasts. ATFM uses the non-linear, depth-averaged, shallow-water equations of motion with multiply nested grids in two-way communications between domains of each parent-child pair as waves get closer to coastal waters. Even with the pre-computation the task becomes non-trivial as sub-grid resolution gets finer. Currently, the finest resolution Digital Elevation Models (DEM) used by ATFM are 1/3 arc-seconds. With a serial code, large or multiple areas of very high resolution can produce run-times that are unrealistic even in a pre-computed approach. One way to increase the model performance is code parallelization used in conjunction with a multi-processor computing environment. NTWC developers have undertaken an ATFM code-parallelization effort to streamline the creation of the pre-computed database of results with the long term aim of tsunami forecasts from source to high resolution shoreline grids in real time. Parallelization will also permit timely regeneration of the forecast model database with new DEMs; and, will make possible future inclusion of new physics such as the non-hydrostatic treatment of tsunami propagation. The purpose of our presentation is to elaborate on the parallelization approach and to show the compute speed increase on various multi-processor systems.

  13. Channel modeling, signal processing and coding for perpendicular magnetic recording

    Science.gov (United States)

    Wu, Zheng

    With the increasing areal density in magnetic recording systems, perpendicular recording has replaced longitudinal recording to overcome the superparamagnetic limit. Studies on perpendicular recording channels including aspects of channel modeling, signal processing and coding techniques are presented in this dissertation. To optimize a high density perpendicular magnetic recording system, one needs to know the tradeoffs between various components of the system including the read/write transducers, the magnetic medium, and the read channel. We extend the work by Chaichanavong on the parameter optimization for systems via design curves. Different signal processing and coding techniques are studied. Information-theoretic tools are utilized to determine the acceptable region for the channel parameters when optimal detection and linear coding techniques are used. Our results show that a considerable gain can be achieved by the optimal detection and coding techniques. The read-write process in perpendicular magnetic recording channels includes a number of nonlinear effects. Nonlinear transition shift (NLTS) is one of them. The signal distortion induced by NLTS can be reduced by write precompensation during data recording. We numerically evaluate the effect of NLTS on the read-back signal and examine the effectiveness of several write precompensation schemes in combating NLTS in a channel characterized by both transition jitter noise and additive white Gaussian electronics noise. We also present an analytical method to estimate the bit-error-rate and use it to help determine the optimal write precompensation values in multi-level precompensation schemes. We propose a mean-adjusted pattern-dependent noise predictive (PDNP) detection algorithm for use on the channel with NLTS. We show that this detector can offer significant improvements in bit-error-rate (BER) compared to conventional Viterbi and PDNP detectors. Moreover, the system performance can be further improved by

  14. Modelling of LOCA Tests with the BISON Fuel Performance Code

    Energy Technology Data Exchange (ETDEWEB)

    Williamson, Richard L [Idaho National Laboratory; Pastore, Giovanni [Idaho National Laboratory; Novascone, Stephen Rhead [Idaho National Laboratory; Spencer, Benjamin Whiting [Idaho National Laboratory; Hales, Jason Dean [Idaho National Laboratory

    2016-05-01

    BISON is a modern finite-element based, multidimensional nuclear fuel performance code that is under development at Idaho National Laboratory (USA). Recent advances of BISON include the extension of the code to the analysis of LWR fuel rod behaviour during loss-of-coolant accidents (LOCAs). In this work, BISON models for the phenomena relevant to LWR cladding behaviour during LOCAs are described, followed by presentation of code results for the simulation of LOCA tests. Analysed experiments include separate effects tests of cladding ballooning and burst, as well as the Halden IFA-650.2 fuel rod test. Two-dimensional modelling of the experiments is performed, and calculations are compared to available experimental data. Comparisons include cladding burst pressure and temperature in separate effects tests, as well as the evolution of fuel rod inner pressure during ballooning and time to cladding burst. Furthermore, BISON three-dimensional simulations of separate effects tests are performed, which demonstrate the capability to reproduce the effect of azimuthal temperature variations in the cladding. The work has been carried out in the frame of the collaboration between Idaho National Laboratory and Halden Reactor Project, and the IAEA Coordinated Research Project FUMAC.

  15. The top-down reflooding model in the Cathare code

    International Nuclear Information System (INIS)

    Bartak, J.; Bestion, D.; Haapalehto, T.

    1993-01-01

    A top-down reflooding model was developed for the French best-estimate thermalhydraulic code CATHARE. The paper presents the current state of development of this model. Based on a literature survey and on compatibility considerations with respect to the existing CATHARE bottom reflooding package, a falling film top-down reflooding model was developed and implemented into CATHARE version 1.3E. Following a brief review of previous work, the paper describes the most important features of the model. The model was validated with the WINFRITH single tube top-down reflooding experiment and with the REWET - II simultaneous bottom and top-down reflooding experiment in rod bundle geometry. The results demonstrate the ability of the new package to describe the falling film rewetting phenomena and the main parametric trends both in a simple analytical experimental setup and in a much more complex rod bundle reflooding experiment. (authors). 9 figs., 28 refs

  16. Toward a Probabilistic Automata Model of Some Aspects of Code-Switching.

    Science.gov (United States)

    Dearholt, D. W.; Valdes-Fallis, G.

    1978-01-01

    The purpose of the model is to select either Spanish or English as the language to be used; its goals at this stage of development include modeling code-switching for lexical need, apparently random code-switching, dependency of code-switching upon sociolinguistic context, and code-switching within syntactic constraints. (EJS)

  17. A method for modeling co-occurrence propensity of clinical codes with application to ICD-10-PCS auto-coding.

    Science.gov (United States)

    Subotin, Michael; Davis, Anthony R

    2016-09-01

    Natural language processing methods for medical auto-coding, or automatic generation of medical billing codes from electronic health records, generally assign each code independently of the others. They may thus assign codes for closely related procedures or diagnoses to the same document, even when they do not tend to occur together in practice, simply because the right choice can be difficult to infer from the clinical narrative. We propose a method that injects awareness of the propensities for code co-occurrence into this process. First, a model is trained to estimate the conditional probability that one code is assigned by a human coder, given than another code is known to have been assigned to the same document. Then, at runtime, an iterative algorithm is used to apply this model to the output of an existing statistical auto-coder to modify the confidence scores of the codes. We tested this method in combination with a primary auto-coder for International Statistical Classification of Diseases-10 procedure codes, achieving a 12% relative improvement in F-score over the primary auto-coder baseline. The proposed method can be used, with appropriate features, in combination with any auto-coder that generates codes with different levels of confidence. The promising results obtained for International Statistical Classification of Diseases-10 procedure codes suggest that the proposed method may have wider applications in auto-coding. © The Author 2016. Published by Oxford University Press on behalf of the American Medical Informatics Association. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  18. Benchmarking of computer codes and approaches for modeling exposure scenarios

    International Nuclear Information System (INIS)

    Seitz, R.R.; Rittmann, P.D.; Wood, M.I.; Cook, J.R.

    1994-08-01

    The US Department of Energy Headquarters established a performance assessment task team (PATT) to integrate the activities of DOE sites that are preparing performance assessments for the disposal of newly generated low-level waste. The PATT chartered a subteam with the task of comparing computer codes and exposure scenarios used for dose calculations in performance assessments. This report documents the efforts of the subteam. Computer codes considered in the comparison include GENII, PATHRAE-EPA, MICROSHIELD, and ISOSHLD. Calculations were also conducted using spreadsheets to provide a comparison at the most fundamental level. Calculations and modeling approaches are compared for unit radionuclide concentrations in water and soil for the ingestion, inhalation, and external dose pathways. Over 30 tables comparing inputs and results are provided

  19. Modeling RIA scenarios with the FRAPTRAN and SCANAIR codes

    International Nuclear Information System (INIS)

    Sagrado Garcia, I. C.; Vallejo, I.; Herranz, L. E.

    2013-01-01

    The need of defining new RIA safety criteria has pointed out the importance of performing a rigorous assessment of the transient codes capabilities. The present work is a comparative exercise devoted to identify the origin of the key deviations found between the predictions of FRAPTRAN-1.4 and SCANAIR-7.1. To do so, the calculations submitted by CIEMAT to the OECD/NEA RIA benchmark have been exploited. This work shows that deviations in clad temperatures mainly come from the treatment of the oxide layer. The systematically higher deformations calculated by FRAPTRAN-1.4 in early failed tests are caused by the different gap closure estimation. Besides, the dissimilarities observed in the FGR predictions are inherent to the different modeling strategies adopted in each code.

  20. Modeling RIA scenarios with the FRAPTRAN and SCANAIR codes

    Energy Technology Data Exchange (ETDEWEB)

    Sagrado Garcia, I. C.; Vallejo, I.; Herranz, L. E.

    2013-07-01

    The need of defining new RIA safety criteria has pointed out the importance of performing a rigorous assessment of the transient codes capabilities. The present work is a comparative exercise devoted to identify the origin of the key deviations found between the predictions of FRAPTRAN-1.4 and SCANAIR-7.1. To do so, the calculations submitted by CIEMAT to the OECD/NEA RIA benchmark have been exploited. This work shows that deviations in clad temperatures mainly come from the treatment of the oxide layer. The systematically higher deformations calculated by FRAPTRAN-1.4 in early failed tests are caused by the different gap closure estimation. Besides, the dissimilarities observed in the FGR predictions are inherent to the different modeling strategies adopted in each code.

  1. 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

  2. A critical flow model for the Cathena thermalhydraulic code

    International Nuclear Information System (INIS)

    Popov, N.K.; Hanna, B.N.

    1990-01-01

    The calculation of critical flow rate, e.g., of choked flow through a break, is required for simulating a loss of coolant transient in a reactor or reactor-like experimental facility. A model was developed to calculate the flow rate through the break for given geometrical parameters near the break and fluid parameters upstream of the break for ordinary water, as well as heavy water, with or without non- condensible gases. This model has been incorporated in the CATHENA, one-dimensional, two-fluid thermalhydraulic code. In the CATHENA code a standard staggered-mesh, finite-difference representation is used to solve the thermalhydraulic equations. This model compares the fluid mixture velocity, calculated using the CATHENA momentum equations, with a critical velocity. When the mixture velocity is smaller than the critical velocity, the flow is assumed to be subcritical, and the model remains passive. When the fluid mixture velocity is higher than the critical velocity, the model sets the fluid mixture velocity equal to the critical velocity. In this paper the critical velocity at a link (momentum cell) is first estimated separately for single-phase liquid, two- phase, or single-phase gas flow condition at the upstream node (mass/energy cell). In all three regimes non-condensible gas can be present in the flow. For single-phase liquid flow, the critical velocity is estimated using a Bernoulli- type of equation, the pressure at the link is estimated by the pressure undershoot method

  3. Modeling of fission product release in integral codes

    International Nuclear Information System (INIS)

    Obaidurrahman, K.; Raman, Rupak K.; Gaikwad, Avinash J.

    2014-01-01

    The Great Tohoku earthquake and tsunami that stroke the Fukushima-Daiichi nuclear power station in March 11, 2011 has intensified the needs of detailed nuclear safety research and with this objective all streams associated with severe accident phenomenology are being revisited thoroughly. The present paper would cover an overview of state of art FP release models being used, the important phenomenon considered in semi-mechanistic models and knowledge gaps in present FP release modeling. Capability of FP release module, ELSA of ASTEC integral code in appropriate prediction of FP release under several diversified core degraded conditions will also be demonstrated. Use of semi-mechanistic fission product release models at AERB in source-term estimation shall be briefed. (author)

  4. Improved Flow Modeling in Transient Reactor Safety Analysis Computer Codes

    International Nuclear Information System (INIS)

    Holowach, M.J.; Hochreiter, L.E.; Cheung, F.B.

    2002-01-01

    A method of accounting for fluid-to-fluid shear in between calculational cells over a wide range of flow conditions envisioned in reactor safety studies has been developed such that it may be easily implemented into a computer code such as COBRA-TF for more detailed subchannel analysis. At a given nodal height in the calculational model, equivalent hydraulic diameters are determined for each specific calculational cell using either laminar or turbulent velocity profiles. The velocity profile may be determined from a separate CFD (Computational Fluid Dynamics) analysis, experimental data, or existing semi-empirical relationships. The equivalent hydraulic diameter is then applied to the wall drag force calculation so as to determine the appropriate equivalent fluid-to-fluid shear caused by the wall for each cell based on the input velocity profile. This means of assigning the shear to a specific cell is independent of the actual wetted perimeter and flow area for the calculational cell. The use of this equivalent hydraulic diameter for each cell within a calculational subchannel results in a representative velocity profile which can further increase the accuracy and detail of heat transfer and fluid flow modeling within the subchannel when utilizing a thermal hydraulics systems analysis computer code such as COBRA-TF. Utilizing COBRA-TF with the flow modeling enhancement results in increased accuracy for a coarse-mesh model without the significantly greater computational and time requirements of a full-scale 3D (three-dimensional) transient CFD calculation. (authors)

  5. Dataset of coded handwriting features for use in statistical modelling

    Directory of Open Access Journals (Sweden)

    Anna Agius

    2018-02-01

    Full Text Available The data presented here is related to the article titled, “Using handwriting to infer a writer's country of origin for forensic intelligence purposes” (Agius et al., 2017 [1]. This article reports original writer, spatial and construction characteristic data for thirty-seven English Australian11 In this study, English writers were Australians whom had learnt to write in New South Wales (NSW. writers and thirty-seven Vietnamese writers. All of these characteristics were coded and recorded in Microsoft Excel 2013 (version 15.31. The construction characteristics coded were only extracted from seven characters, which were: ‘g’, ‘h’, ‘th’, ‘M’, ‘0’, ‘7’ and ‘9’. The coded format of the writer, spatial and construction characteristics is made available in this Data in Brief in order to allow others to perform statistical analyses and modelling to investigate whether there is a relationship between the handwriting features and the nationality of the writer, and whether the two nationalities can be differentiated. Furthermore, to employ mathematical techniques that are capable of characterising the extracted features from each participant.

  6. Auditory information coding by modeled cochlear nucleus neurons.

    Science.gov (United States)

    Wang, Huan; Isik, Michael; Borst, Alexander; Hemmert, Werner

    2011-06-01

    In this paper we use information theory to quantify the information in the output spike trains of modeled cochlear nucleus globular bushy cells (GBCs). GBCs are part of the sound localization pathway. They are known for their precise temporal processing, and they code amplitude modulations with high fidelity. Here we investigated the information transmission for a natural sound, a recorded vowel. We conclude that the maximum information transmission rate for a single neuron was close to 1,050 bits/s, which corresponds to a value of approximately 5.8 bits per spike. For quasi-periodic signals like voiced speech, the transmitted information saturated as word duration increased. In general, approximately 80% of the available information from the spike trains was transmitted within about 20 ms. Transmitted information for speech signals concentrated around formant frequency regions. The efficiency of neural coding was above 60% up to the highest temporal resolution we investigated (20 μs). The increase in transmitted information to that precision indicates that these neurons are able to code information with extremely high fidelity, which is required for sound localization. On the other hand, only 20% of the information was captured when the temporal resolution was reduced to 4 ms. As the temporal resolution of most speech recognition systems is limited to less than 10 ms, this massive information loss might be one of the reasons which are responsible for the lack of noise robustness of these systems.

  7. MMA, A Computer Code for Multi-Model Analysis

    Science.gov (United States)

    Poeter, Eileen P.; Hill, Mary C.

    2007-01-01

    This report documents the Multi-Model Analysis (MMA) computer code. MMA can be used to evaluate results from alternative models of a single system using the same set of observations for all models. As long as the observations, the observation weighting, and system being represented are the same, the models can differ in nearly any way imaginable. For example, they may include different processes, different simulation software, different temporal definitions (for example, steady-state and transient models could be considered), and so on. The multiple models need to be calibrated by nonlinear regression. Calibration of the individual models needs to be completed before application of MMA. MMA can be used to rank models and calculate posterior model probabilities. These can be used to (1) determine the relative importance of the characteristics embodied in the alternative models, (2) calculate model-averaged parameter estimates and predictions, and (3) quantify the uncertainty of parameter estimates and predictions in a way that integrates the variations represented by the alternative models. There is a lack of consensus on what model analysis methods are best, so MMA provides four default methods. Two are based on Kullback-Leibler information, and use the AIC (Akaike Information Criterion) or AICc (second-order-bias-corrected AIC) model discrimination criteria. The other two default methods are the BIC (Bayesian Information Criterion) and the KIC (Kashyap Information Criterion) model discrimination criteria. Use of the KIC criterion is equivalent to using the maximum-likelihood Bayesian model averaging (MLBMA) method. AIC, AICc, and BIC can be derived from Frequentist or Bayesian arguments. The default methods based on Kullback-Leibler information have a number of theoretical advantages, including that they tend to favor more complicated models as more data become available than do the other methods, which makes sense in many situations. Many applications of MMA will

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-09-01

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

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

    International Nuclear Information System (INIS)

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

    1996-09-01

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

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

    International Nuclear Information System (INIS)

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

    1998-01-01

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

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

    NARCIS (Netherlands)

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

    2013-01-01

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

  12. An improved steam generator model for the SASSYS code

    International Nuclear Information System (INIS)

    Pizzica, P.A.

    1989-01-01

    A new steam generator model has been developed for the SASSYS computer code, which analyzes accident conditions in a liquid metal cooled fast reactor. It has been incorporated into the new SASSYS balance-of-plant model but it can also function on a stand-alone basis. The steam generator can be used in a once-through mode, or a variant of the model can be used as a separate evaporator and a superheater with recirculation loop. The new model provides for an exact steady-state solution as well as the transient calculation. There was a need for a faster and more flexible model than the old steam generator model. The new model provides for more detail with its multi-mode treatment as opposed to the previous model's one node per region approach. Numerical instability problems which were the result of cell-centered spatial differencing, fully explicit time differencing, and the moving boundary treatment of the boiling crisis point in the boiling region have been reduced. This leads to an increase in speed as larger time steps can now be taken. The new model is an improvement in many respects. 2 refs., 3 figs

  13. Modeling of the CTEx subcritical unit using MCNPX code

    International Nuclear Information System (INIS)

    Santos, Avelino; Silva, Ademir X. da; Rebello, Wilson F.; Cunha, Victor L. Lassance

    2011-01-01

    The present work aims at simulating the subcritical unit of Army Technology Center (CTEx) namely ARGUS pile (subcritical uranium-graphite arrangement) by using the computational code MCNPX. Once such modeling is finished, it could be used in k-effective calculations for systems using natural uranium as fuel, for instance. ARGUS is a subcritical assembly which uses reactor-grade graphite as moderator of fission neutrons and metallic uranium fuel rods with aluminum cladding. The pile is driven by an Am-Be spontaneous neutron source. In order to achieve a higher value for k eff , a higher concentration of U235 can be proposed, provided it safely remains below one. (author)

  14. Status of emergency spray modelling in the integral code ASTEC

    International Nuclear Information System (INIS)

    Plumecocq, W.; Passalacqua, R.

    2001-01-01

    Containment spray systems are emergency systems that would be used in very low probability events which may lead to severe accidents in Light Water Reactors. In most cases, the primary function of the spray would be to remove heat and condense steam in order to reduce pressure and temperature in the containment building. Spray would also wash out fission products (aerosols and gaseous species) from the containment atmosphere. The efficiency of the spray system in the containment depressurization as well as in the removal of aerosols, during a severe accident, depends on the evolution of the spray droplet size distribution with the height in the containment, due to kinetic and thermal relaxation, gravitational agglomeration and mass transfer with the gas. A model has been developed taking into account all of these phenomena. This model has been implemented in the ASTEC code with a validation of the droplets relaxation against the CARAIDAS experiment (IPSN). Applications of this modelling to a PWR 900, during a severe accident, with special emphasis on the effect of spray on containment hydrogen distribution have been performed in multi-compartment configuration with the ASTEC V0.3 code. (author)

  15. 49 CFR 41.120 - Acceptable model codes.

    Science.gov (United States)

    2010-10-01

    ... 1991 International Conference of Building Officials (ICBO) Uniform Building Code, published by the... Supplement to the Building Officials and Code Administrators International (BOCA) National Building Code, published by the Building Officials and Code Administrators, 4051 West Flossmoor Rd., Country Club Hills...

  16. Influential input parameters for reflood model of MARS code

    Energy Technology Data Exchange (ETDEWEB)

    Oh, Deog Yeon; Bang, Young Seok [Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of)

    2012-10-15

    Best Estimate (BE) calculation has been more broadly used in nuclear industries and regulations to reduce the significant conservatism for evaluating Loss of Coolant Accident (LOCA). Reflood model has been identified as one of the problems in BE calculation. The objective of the Post BEMUSE Reflood Model Input Uncertainty Methods (PREMIUM) program of OECD/NEA is to make progress the issue of the quantification of the uncertainty of the physical models in system thermal hydraulic codes, by considering an experimental result especially for reflood. It is important to establish a methodology to identify and select the parameters influential to the response of reflood phenomena following Large Break LOCA. For this aspect, a reference calculation and sensitivity analysis to select the dominant influential parameters for FEBA experiment are performed.

  17. Modeling the PUSPATI TRIGA Reactor using MCNP code

    International Nuclear Information System (INIS)

    Mohamad Hairie Rabir; Mark Dennis Usang; Naim Syauqi Hamzah; Julia Abdul Karim; Mohd Amin Sharifuldin Salleh

    2012-01-01

    The 1 MW TRIGA MARK II research reactor at Malaysian Nuclear Agency achieved initial criticality on June 28, 1982. The reactor is designed to effectively implement the various fields of basic nuclear research, manpower training, and production of radioisotopes. This paper describes the reactor parameters calculation for the PUSPATI TRIGA REACTOR (RTP); focusing on the application of the developed reactor 3D model for criticality calculation, analysis of power and neutron flux distribution and depletion study of TRIGA fuel. The 3D continuous energy Monte Carlo code MCNP was used to develop a versatile and accurate full model of the TRIGA reactor. The model represents in detailed all important components of the core and shielding with literally no physical approximation. (author)

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

    International Nuclear Information System (INIS)

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

    1999-01-01

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

  19. Model comparisons of the reactive burn model SURF in three ASC codes

    Energy Technology Data Exchange (ETDEWEB)

    Whitley, Von Howard [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Stalsberg, Krista Lynn [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Reichelt, Benjamin Lee [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Shipley, Sarah Jayne [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2018-01-12

    A study of the SURF reactive burn model was performed in FLAG, PAGOSA and XRAGE. In this study, three different shock-to-detonation transition experiments were modeled in each code. All three codes produced similar model results for all the experiments modeled and at all resolutions. Buildup-to-detonation time, particle velocities and resolution dependence of the models was notably similar between the codes. Given the current PBX 9502 equations of state and SURF calibrations, each code is equally capable of predicting the correct detonation time and distance when impacted by a 1D impactor at pressures ranging from 10-16 GPa, as long as the resolution of the mesh is not too coarse.

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

    International Nuclear Information System (INIS)

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

    2005-01-01

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

  1. C code generation applied to nonlinear model predictive control for an artificial pancreas

    DEFF Research Database (Denmark)

    Boiroux, Dimitri; Jørgensen, John Bagterp

    2017-01-01

    This paper presents a method to generate C code from MATLAB code applied to a nonlinear model predictive control (NMPC) algorithm. The C code generation uses the MATLAB Coder Toolbox. It can drastically reduce the time required for development compared to a manual porting of code from MATLAB to C...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1984-02-01

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

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

    International Nuclear Information System (INIS)

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

    1999-12-01

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

  4. Kinetic models of gene expression including non-coding RNAs

    Energy Technology Data Exchange (ETDEWEB)

    Zhdanov, Vladimir P., E-mail: zhdanov@catalysis.r

    2011-03-15

    In cells, genes are transcribed into mRNAs, and the latter are translated into proteins. Due to the feedbacks between these processes, the kinetics of gene expression may be complex even in the simplest genetic networks. The corresponding models have already been reviewed in the literature. A new avenue in this field is related to the recognition that the conventional scenario of gene expression is fully applicable only to prokaryotes whose genomes consist of tightly packed protein-coding sequences. In eukaryotic cells, in contrast, such sequences are relatively rare, and the rest of the genome includes numerous transcript units representing non-coding RNAs (ncRNAs). During the past decade, it has become clear that such RNAs play a crucial role in gene expression and accordingly influence a multitude of cellular processes both in the normal state and during diseases. The numerous biological functions of ncRNAs are based primarily on their abilities to silence genes via pairing with a target mRNA and subsequently preventing its translation or facilitating degradation of the mRNA-ncRNA complex. Many other abilities of ncRNAs have been discovered as well. Our review is focused on the available kinetic models describing the mRNA, ncRNA and protein interplay. In particular, we systematically present the simplest models without kinetic feedbacks, models containing feedbacks and predicting bistability and oscillations in simple genetic networks, and models describing the effect of ncRNAs on complex genetic networks. Mathematically, the presentation is based primarily on temporal mean-field kinetic equations. The stochastic and spatio-temporal effects are also briefly discussed.

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

    Science.gov (United States)

    Ghezelbash, Reza; Maghsoudi, Abbas

    2018-05-01

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

  6. On boundary layer modelling using the ASTEC code

    International Nuclear Information System (INIS)

    Smith, B.L.

    1991-07-01

    The modelling of fluid boundary layers adjacent to non-slip, heated surface using the ASTEC code is described. The pricipal boundary layer characteristics are derived using simple dimensional arguments and these are developed into criteria for optimum placement of the computational mesh to achieve realistic simulation. In particular, the need for externally-imposed drag and heat transfer correlations as a function of the local mesh concentration is discussed in the context of both laminar and turbulent flow conditions. Special emphasis is placed in the latter case on the (k-ε) turbulence model, which is standard in the code. As far as possible, the analyses are pursued from first principles, so that no comprehensive knowledge of the history of the subject is required for the general ASTEC user to derive practical advice from the document. Some attention is paid to the use of heat transfer correlations for internal solid/fluid surfaces, whose treatment is not straightforward in ASTEC. It is shown that three formulations are possible to effect the heat transfer, called Explicit, Jacobian and Implicit. The particular advantages and disadvantages of each are discussed with regard to numerical stability and computational efficiency. (author) 18 figs., 1 tab., 39 refs

  7. Physicochemical analog for modeling superimposed and coded memories

    Science.gov (United States)

    Ensanian, Minas

    1992-07-01

    The mammalian brain is distinguished by a life-time of memories being stored within the same general region of physicochemical space, and having two extraordinary features. First, memories to varying degrees are superimposed, as well as coded. Second, instantaneous recall of past events can often be affected by relatively simple, and seemingly unrelated sensory clues. For the purposes of attempting to mathematically model such complex behavior, and for gaining additional insights, it would be highly advantageous to be able to simulate or mimic similar behavior in a nonbiological entity where some analogical parameters of interest can reasonably be controlled. It has recently been discovered that in nonlinear accumulative metal fatigue memories (related to mechanical deformation) can be superimposed and coded in the crystal lattice, and that memory, that is, the total number of stress cycles can be recalled (determined) by scanning not the surfaces but the `edges' of the objects. The new scanning technique known as electrotopography (ETG) now makes the state space modeling of metallic networks possible. The author provides an overview of the new field and outlines the areas that are of immediate interest to the science of artificial neural networks.

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

    Digital Repository Service at National Institute of Oceanography (India)

    Tripathy, G.R.; Das, Anirban.

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

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

    Science.gov (United States)

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

    2010-12-01

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

  10. 7 CFR Exhibit E to Subpart A of... - Voluntary National Model Building Codes

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 12 2010-01-01 2010-01-01 false Voluntary National Model Building Codes E Exhibit E... National Model Building Codes The following documents address the health and safety aspects of buildings and related structures and are voluntary national model building codes as defined in § 1924.4(h)(2) of...

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

    International Nuclear Information System (INIS)

    Kaplan, D; Margaret Millings, M

    2006-01-01

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

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

    International Nuclear Information System (INIS)

    Wang Jinping

    1998-01-01

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

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

    Science.gov (United States)

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

    2011-12-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-03-01

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

  15. 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.

  16. Isotopic modelling using the ENIGMA-B fuel performance code

    International Nuclear Information System (INIS)

    Rossiter, G.D.; Cook, P.M.A.; Weston, R.

    2001-01-01

    A number of experimental programmes by BNFL and other MOX fabricators have now shown that the in-pile performance of MOX fuel is generally similar to that of conventional UO 2 fuel. Models based on UO 2 fuel experience form a good basis for a description of MOX fuel behaviour. However, an area where the performance of MOX fuel is sufficiently different from that of UO 2 to warrant model changes is in the radial power and burnup profile. The differences in radial power and burnup profile arise from the presence of significant concentrations of plutonium in MOX fuel, at beginning of life, and their subsequent evolution with burnup. Amongst other effects, plutonium has a greater neutron absorption cross-section than uranium. This paper focuses on the development of a new model for the radial power and burnup profile within a UO 2 or MOX fuel rod, in which the underlying fissile isotope concentration distributions are tracked during irradiation. The new model has been incorporated into the ENIGMA-B fuel performance code and has been extended to track the isotopic concentrations of the fission gases, xenon and krypton. The calculated distributions have been validated against results from rod puncture measurements and electron probe micro-analysis (EPMA) linescans, performed during the M501 post irradiation examination (PIE) programme. The predicted gas inventory of the fuel/clad gap is compared with the isotopic composition measured during rod puncture and the measured radial distributions of burnup (from neodymium measurements) and plutonium in the fuel are compared with the calculated distributions. It is shown that there is good agreement between the code predictions and the measurements. (author)

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

    Science.gov (United States)

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

    2016-04-01

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

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

    International Nuclear Information System (INIS)

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

    2004-01-01

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

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

    International Nuclear Information System (INIS)

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

    1995-01-01

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

  20. Impurity seeding in ASDEX upgrade tokamak modeled by COREDIV code

    Energy Technology Data Exchange (ETDEWEB)

    Galazka, K.; Ivanova-Stanik, I.; Czarnecka, A.; Zagoerski, R. [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Bernert, M.; Kallenbach, A. [Max-Planck-Institut fuer Plasmaphysik, Garching (Germany); Collaboration: ASDEX Upgrade Team

    2016-08-15

    The self-consistent COREDIV code is used to simulate discharges in a tokamak plasma, especially the influence of impurities during nitrogen and argon seeding on the key plasma parameters. The calculations are performed with and without taking into account the W prompt redeposition in the divertor area and are compared to the experimental results acquired on ASDEX Upgrade tokamak (shots 29254 and 29257). For both impurities the modeling shows a better agreement with the experiment in the case without prompt redeposition. It is attributed to higher average tungsten concentration, which on the other hand seriously exceeds the experimental value. By turning the prompt redeposition process on, the W concentration is lowered, what, in turn, results in underestimation of the radiative power losses. By analyzing the influence of the transport coefficients on the radiative power loss and average W concentration it is concluded that the way to compromise the opposing tendencies is to include the edge-localized mode flushing mechanism into the code, which dominates the experimental particle and energy balance. Also performing the calculations with both anomalous and neoclassical diffusion transport mechanisms included is suggested. (copyright 2016 The Authors. Contributions to Plasma Physics published by Wiley-VCH Verlag GmbH and Co. KGaA Weinheim. This)

  1. Modelling guidelines for core exit temperature simulations with system codes

    Energy Technology Data Exchange (ETDEWEB)

    Freixa, J., E-mail: jordi.freixa-terradas@upc.edu [Department of Physics and Nuclear Engineering, Technical University of Catalonia (UPC) (Spain); Paul Scherrer Institut (PSI), 5232 Villigen (Switzerland); Martínez-Quiroga, V., E-mail: victor.martinez@nortuen.com [Department of Physics and Nuclear Engineering, Technical University of Catalonia (UPC) (Spain); Zerkak, O., E-mail: omar.zerkak@psi.ch [Paul Scherrer Institut (PSI), 5232 Villigen (Switzerland); Reventós, F., E-mail: francesc.reventos@upc.edu [Department of Physics and Nuclear Engineering, Technical University of Catalonia (UPC) (Spain)

    2015-05-15

    Highlights: • Core exit temperature is used in PWRs as an indication of core heat up. • Modelling guidelines of CET response with system codes. • Modelling of heat transfer processes in the core and UP regions. - Abstract: Core exit temperature (CET) measurements play an important role in the sequence of actions under accidental conditions in pressurized water reactors (PWR). Given the difficulties in placing measurements in the core region, CET readings are used as criterion for the initiation of accident management (AM) procedures because they can indicate a core heat up scenario. However, the CET responses have some limitation in detecting inadequate core cooling and core uncovery simply because the measurement is not placed inside the core. Therefore, it is of main importance in the field of nuclear safety for PWR power plants to assess the capabilities of system codes for simulating the relation between the CET and the peak cladding temperature (PCT). The work presented in this paper intends to address this open question by making use of experimental work at integral test facilities (ITF) where experiments related to the evolution of the CET and the PCT during transient conditions have been carried out. In particular, simulations of two experiments performed at the ROSA/LSTF and PKL facilities are presented. The two experiments are part of a counterpart exercise between the OECD/NEA ROSA-2 and OECD/NEA PKL-2 projects. The simulations are used to derive guidelines in how to correctly reproduce the CET response during a core heat up scenario. Three aspects have been identified to be of main importance: (1) the need for a 3-dimensional representation of the core and Upper Plenum (UP) regions in order to model the heterogeneity of the power zones and axial areas, (2) the detailed representation of the active and passive heat structures, and (3) the use of simulated thermocouples instead of steam temperatures to represent the CET readings.

  2. 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.

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

    DEFF Research Database (Denmark)

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

    2013-01-01

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

  4. CODE's new solar radiation pressure model for GNSS orbit determination

    Science.gov (United States)

    Arnold, D.; Meindl, M.; Beutler, G.; Dach, R.; Schaer, S.; Lutz, S.; Prange, L.; Sośnica, K.; Mervart, L.; Jäggi, A.

    2015-08-01

    The Empirical CODE Orbit Model (ECOM) of the Center for Orbit Determination in Europe (CODE), which was developed in the early 1990s, is widely used in the International GNSS Service (IGS) community. For a rather long time, spurious spectral lines are known to exist in geophysical parameters, in particular in the Earth Rotation Parameters (ERPs) and in the estimated geocenter coordinates, which could recently be attributed to the ECOM. These effects grew creepingly with the increasing influence of the GLONASS system in recent years in the CODE analysis, which is based on a rigorous combination of GPS and GLONASS since May 2003. In a first step we show that the problems associated with the ECOM are to the largest extent caused by the GLONASS, which was reaching full deployment by the end of 2011. GPS-only, GLONASS-only, and combined GPS/GLONASS solutions using the observations in the years 2009-2011 of a global network of 92 combined GPS/GLONASS receivers were analyzed for this purpose. In a second step we review direct solar radiation pressure (SRP) models for GNSS satellites. We demonstrate that only even-order short-period harmonic perturbations acting along the direction Sun-satellite occur for GPS and GLONASS satellites, and only odd-order perturbations acting along the direction perpendicular to both, the vector Sun-satellite and the spacecraft's solar panel axis. Based on this insight we assess in the third step the performance of four candidate orbit models for the future ECOM. The geocenter coordinates, the ERP differences w. r. t. the IERS 08 C04 series of ERPs, the misclosures for the midnight epochs of the daily orbital arcs, and scale parameters of Helmert transformations for station coordinates serve as quality criteria. The old and updated ECOM are validated in addition with satellite laser ranging (SLR) observations and by comparing the orbits to those of the IGS and other analysis centers. Based on all tests, we present a new extended ECOM which

  5. TASS/SMR Code Topical Report for SMART Plant, Vol. I: Code Structure, System Models, and Solution Methods

    Energy Technology Data Exchange (ETDEWEB)

    Chung, Young Jong; Kim, Soo Hyoung; Kim, See Darl (and others)

    2008-10-15

    The TASS/SMR code has been developed with domestic technologies for the safety analysis of the SMART plant which is an integral type pressurized water reactor. It can be applied to the analysis of design basis accidents including non-LOCA (loss of coolant accident) and LOCA of the SMART plant. The TASS/SMR code can be applied to any plant regardless of the structural characteristics of a reactor since the code solves the same governing equations for both the primary and secondary system. The code has been developed to meet the requirements of the safety analysis code. This report describes the overall structure of the TASS/SMR, input processing, and the processes of a steady state and transient calculations. In addition, basic differential equations, finite difference equations, state relationships, and constitutive models are described in the report. First, the conservation equations, a discretization process for numerical analysis, search method for state relationship are described. Then, a core power model, heat transfer models, physical models for various components, and control and trip models are explained.

  6. A Realistic Model under which the Genetic Code is Optimal

    NARCIS (Netherlands)

    Buhrman, H.; van der Gulik, P.T.S.; Klau, G.W.; Schaffner, C.; Speijer, D.; Stougie, L.

    2013-01-01

    The genetic code has a high level of error robustness. Using values of hydrophobicity scales as a proxy for amino acid character, and the mean square measure as a function quantifying error robustness, a value can be obtained for a genetic code which reflects the error robustness of that code. By

  7. Simplified modeling and code usage in the PASC-3 code system by the introduction of a programming environment

    International Nuclear Information System (INIS)

    Pijlgroms, B.J.; Oppe, J.; Oudshoorn, H.L.; Slobben, J.

    1991-06-01

    A brief description is given of the PASC-3 (Petten-AMPX-SCALE) Reactor Physics code system and associated UNIPASC work environment. The PASC-3 code system is used for criticality and reactor calculations and consists of a selection from the Oak Ridge National Laboratory AMPX-SCALE-3 code collection complemented with a number of additional codes and nuclear data bases. The original codes have been adapted to run under the UNIX operating system. The recommended nuclear data base is a complete 219 group cross section library derived from JEF-1 of which some benchmark results are presented. By the addition of the UNIPASC work environment the usage of the code system is greatly simplified. Complex chains of programs can easily be coupled together to form a single job. In addition, the model parameters can be represented by variables instead of literal values which enhances the readability and may improve the integrity of the code inputs. (author). 8 refs.; 6 figs.; 1 tab

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

    International Nuclear Information System (INIS)

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

    2006-11-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-11-15

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

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

    International Nuclear Information System (INIS)

    Benbow, Steven; Savage, David; Walker, Colin

    2007-05-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-06-15

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

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

    International Nuclear Information System (INIS)

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

    2006-01-01

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

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

    International Nuclear Information System (INIS)

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

    2012-01-01

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

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

    International Nuclear Information System (INIS)

    Odorowski, Melina

    2015-01-01

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

  15. A MODEL BUILDING CODE ARTICLE ON FALLOUT SHELTERS WITH RECOMMENDATIONS FOR INCLUSION OF REQUIREMENTS FOR FALLOUT SHELTER CONSTRUCTION IN FOUR NATIONAL MODEL BUILDING CODES.

    Science.gov (United States)

    American Inst. of Architects, Washington, DC.

    A MODEL BUILDING CODE FOR FALLOUT SHELTERS WAS DRAWN UP FOR INCLUSION IN FOUR NATIONAL MODEL BUILDING CODES. DISCUSSION IS GIVEN OF FALLOUT SHELTERS WITH RESPECT TO--(1) NUCLEAR RADIATION, (2) NATIONAL POLICIES, AND (3) COMMUNITY PLANNING. FALLOUT SHELTER REQUIREMENTS FOR SHIELDING, SPACE, VENTILATION, CONSTRUCTION, AND SERVICES SUCH AS ELECTRICAL…

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

    International Nuclear Information System (INIS)

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

    1992-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-31

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1992-12-31

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

  19. Modeling Vortex Generators in a Navier-Stokes Code

    Science.gov (United States)

    Dudek, Julianne C.

    2011-01-01

    A source-term model that simulates the effects of vortex generators was implemented into the Wind-US Navier-Stokes code. The source term added to the Navier-Stokes equations simulates the lift force that would result from a vane-type vortex generator in the flowfield. The implementation is user-friendly, requiring the user to specify only three quantities for each desired vortex generator: the range of grid points over which the force is to be applied and the planform area and angle of incidence of the physical vane. The model behavior was evaluated for subsonic flow in a rectangular duct with a single vane vortex generator, subsonic flow in an S-duct with 22 corotating vortex generators, and supersonic flow in a rectangular duct with a counter-rotating vortex-generator pair. The model was also used to successfully simulate microramps in supersonic flow by treating each microramp as a pair of vanes with opposite angles of incidence. The validation results indicate that the source-term vortex-generator model provides a useful tool for screening vortex-generator configurations and gives comparable results to solutions computed using gridded vanes.

  20. Modelling RF sources using 2-D PIC codes

    Energy Technology Data Exchange (ETDEWEB)

    Eppley, K.R.

    1993-03-01

    In recent years, many types of RF sources have been successfully modelled using 2-D PIC codes. Both cross field devices (magnetrons, cross field amplifiers, etc.) and pencil beam devices (klystrons, gyrotrons, TWT'S, lasertrons, etc.) have been simulated. All these devices involve the interaction of an electron beam with an RF circuit. For many applications, the RF structure may be approximated by an equivalent circuit, which appears in the simulation as a boundary condition on the electric field ( port approximation''). The drive term for the circuit is calculated from the energy transfer between beam and field in the drift space. For some applications it may be necessary to model the actual geometry of the structure, although this is more expensive. One problem not entirely solved is how to accurately model in 2-D the coupling to an external waveguide. Frequently this is approximated by a radial transmission line, but this sometimes yields incorrect results. We also discuss issues in modelling the cathode and injecting the beam into the PIC simulation.

  1. Modelling RF sources using 2-D PIC codes

    Energy Technology Data Exchange (ETDEWEB)

    Eppley, K.R.

    1993-03-01

    In recent years, many types of RF sources have been successfully modelled using 2-D PIC codes. Both cross field devices (magnetrons, cross field amplifiers, etc.) and pencil beam devices (klystrons, gyrotrons, TWT`S, lasertrons, etc.) have been simulated. All these devices involve the interaction of an electron beam with an RF circuit. For many applications, the RF structure may be approximated by an equivalent circuit, which appears in the simulation as a boundary condition on the electric field (``port approximation``). The drive term for the circuit is calculated from the energy transfer between beam and field in the drift space. For some applications it may be necessary to model the actual geometry of the structure, although this is more expensive. One problem not entirely solved is how to accurately model in 2-D the coupling to an external waveguide. Frequently this is approximated by a radial transmission line, but this sometimes yields incorrect results. We also discuss issues in modelling the cathode and injecting the beam into the PIC simulation.

  2. Modelling RF sources using 2-D PIC codes

    International Nuclear Information System (INIS)

    Eppley, K.R.

    1993-03-01

    In recent years, many types of RF sources have been successfully modelled using 2-D PIC codes. Both cross field devices (magnetrons, cross field amplifiers, etc.) and pencil beam devices (klystrons, gyrotrons, TWT'S, lasertrons, etc.) have been simulated. All these devices involve the interaction of an electron beam with an RF circuit. For many applications, the RF structure may be approximated by an equivalent circuit, which appears in the simulation as a boundary condition on the electric field (''port approximation''). The drive term for the circuit is calculated from the energy transfer between beam and field in the drift space. For some applications it may be necessary to model the actual geometry of the structure, although this is more expensive. One problem not entirely solved is how to accurately model in 2-D the coupling to an external waveguide. Frequently this is approximated by a radial transmission line, but this sometimes yields incorrect results. We also discuss issues in modelling the cathode and injecting the beam into the PIC simulation

  3. Maximizing entropy of image models for 2-D constrained coding

    DEFF Research Database (Denmark)

    Forchhammer, Søren; Danieli, Matteo; Burini, Nino

    2010-01-01

    This paper considers estimating and maximizing the entropy of two-dimensional (2-D) fields with application to 2-D constrained coding. We consider Markov random fields (MRF), which have a non-causal description, and the special case of Pickard random fields (PRF). The PRF are 2-D causal finite...... context models, which define stationary probability distributions on finite rectangles and thus allow for calculation of the entropy. We consider two binary constraints and revisit the hard square constraint given by forbidding neighboring 1s and provide novel results for the constraint that no uniform 2...... £ 2 squares contains all 0s or all 1s. The maximum values of the entropy for the constraints are estimated and binary PRF satisfying the constraint are characterized and optimized w.r.t. the entropy. The maximum binary PRF entropy is 0.839 bits/symbol for the no uniform squares constraint. The entropy...

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

    Science.gov (United States)

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

    2017-12-01

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

  5. Physical model of the nuclear fuel cycle simulation code SITON

    International Nuclear Information System (INIS)

    Brolly, Á.; Halász, M.; Szieberth, M.; Nagy, L.; Fehér, S.

    2017-01-01

    Finding answers to main challenges of nuclear energy, like resource utilisation or waste minimisation, calls for transient fuel cycle modelling. This motivation led to the development of SITON v2.0 a dynamic, discrete facilities/discrete materials and also discrete events fuel cycle simulation code. The physical model of the code includes the most important fuel cycle facilities. Facilities can be connected flexibly; their number is not limited. Material transfer between facilities is tracked by taking into account 52 nuclides. Composition of discharged fuel is determined using burnup tables except for the 2400 MW thermal power design of the Gas-Cooled Fast Reactor (GFR2400). For the GFR2400 the FITXS method is used, which fits one-group microscopic cross-sections as polynomial functions of the fuel composition. This method is accurate and fast enough to be used in fuel cycle simulations. Operation of the fuel cycle, i.e. material requests and transfers, is described by discrete events. In advance of the simulation reactors and plants formulate their requests as events; triggered requests are tracked. After that, the events are simulated, i.e. the requests are fulfilled and composition of the material flow between facilities is calculated. To demonstrate capabilities of SITON v2.0, a hypothetical transient fuel cycle is presented in which a 4-unit VVER-440 reactor park was replaced by one GFR2400 that recycled its own spent fuel. It is found that the GFR2400 can be started if the cooling time of its spent fuel is 2 years. However, if the cooling time is 5 years it needs an additional plutonium feed, which can be covered from the spent fuel of a Generation III light water reactor.

  6. Nuclear model codes available at the Nuclear Energy Agency Computer Program Library (NEA-CPL)

    International Nuclear Information System (INIS)

    Sartori, E.; Garcia Viedma, L. de

    1976-01-01

    This paper briefly outlines the objectives of the NEA-CPL and its activities in the field of Nuclear Model Computer Codes. A short description of the computer codes available from the CPL in this field is also presented. (author)

  7. Large-Signal Code TESLA: Improvements in the Implementation and in the Model

    National Research Council Canada - National Science Library

    Chernyavskiy, Igor A; Vlasov, Alexander N; Anderson, Jr., Thomas M; Cooke, Simon J; Levush, Baruch; Nguyen, Khanh T

    2006-01-01

    We describe the latest improvements made in the large-signal code TESLA, which include transformation of the code to a Fortran-90/95 version with dynamical memory allocation and extension of the model...

  8. MINIMARS interim report appendix halo model and computer code

    International Nuclear Information System (INIS)

    Santarius, J.F.; Barr, W.L.; Deng, B.Q.; Emmert, G.A.

    1985-01-01

    A tenuous, cool plasma called the halo shields the core plasma in a tandem mirror from neutral gas and impurities. The neutral particles are ionized and then pumped by the halo to the end tanks of the device, since flow of plasma along field lines is much faster than radial flow. Plasma reaching the end tank walls recombines, and the resulting neutral gas is vacuum pumped. The basic geometry of the MINIMARS halo is shown. For halo modeling purposes, the core plasma and cold gas regions may be treated as single radial zones leading to halo source and sink terms. The halo itself is differential into two major radial zones: halo scraper and halo dump. The halo scraper zone is defined by the radial distance required for the ion end plugging potential to drop to the central cell value, and thus have no effect on axial confinement; this distance is typically a sloshing plug ion Larmor diameter. The outer edge of the halo dump zone is defined by the last central cell flux tube to pass through the choke coil. This appendix will summarize the halo model that has been developed for MINIMARS and the methodology used in implementing that model as a computer code

  9. Appliance of geochemical engineering in radioactive waste disposal

    International Nuclear Information System (INIS)

    Li Shuang; Zhang Chengjiang; Ni Shijun; Li Kuanliang

    2008-01-01

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

  10. PCCS model development for SBWR using the CONTAIN code

    International Nuclear Information System (INIS)

    Tills, J.; Murata, K.K.; Washington, K.E.

    1994-01-01

    The General Electric Simplified Boiling Water Reactor (SBWR) employs a passive containment cooling system (PCCS) to maintain long-term containment gas pressure and temperature below design limits during accidents. This system consists of a steam supply line that connects the upper portion of the drywell with a vertical shell-and-tube single pass heat exchanger located in an open water pool outside of the containment safety envelope. The heat exchanger tube outlet is connected to a vent line that is submerged below the suppression pool surface but above the main suppression pool horizontal vents. Steam generated in the post-shutdown period flows into the heat exchanger tubes as the result of suction and/or a low pressure differential between the drywell and suppression chamber. Operation of the PCCS is complicated by the presence of noncondensables in the flow stream. Build-up of noncondensables in the exchanger and vent line for the periods when the vent is not cleared causes a reduction in the exchanger heat removal capacity. As flow to the exchanger is reduced due to the noncondensable gas build-up, the drywell pressure increases until the vent line is cleared and the noncondensables are purged into the suppression chamber, restoring the heat removal capability of the PCCS. This paper reports on progress made in modeling SBWR containment loads using the CONTAIN code. As a central part of this effort, a PCCS model development effort has recently been undertaken to implement an appropriate model in CONTAIN. The CONTAIN PCCS modeling approach is discussed and validated. A full SBWR containment input deck has also been developed for CONTAIN. The plant response to a postulated design basis accident (DBA) has been calculated with the CONTAIN PCCS model and plant deck, and the preliminary results are discussed

  11. ETFOD: a point model physics code with arbitrary input

    International Nuclear Information System (INIS)

    Rothe, K.E.; Attenberger, S.E.

    1980-06-01

    ETFOD is a zero-dimensional code which solves a set of physics equations by minimization. The technique used is different than normally used, in that the input is arbitrary. The user is supplied with a set of variables from which he specifies which variables are input (unchanging). The remaining variables become the output. Presently the code is being used for ETF reactor design studies. The code was written in a manner to allow easy modificaton of equations, variables, and physics calculations. The solution technique is presented along with hints for using the code

  12. Methodology Using MELCOR Code to Model Proposed Hazard Scenario

    Energy Technology Data Exchange (ETDEWEB)

    Gavin Hawkley

    2010-07-01

    This study demonstrates a methodology for using the MELCOR code to model a proposed hazard scenario within a building containing radioactive powder, and the subsequent evaluation of a leak path factor (LPF) (or the amount of respirable material which that escapes a facility into the outside environment), implicit in the scenario. This LPF evaluation will analyzes the basis and applicability of an assumed standard multiplication of 0.5 × 0.5 (in which 0.5 represents the amount of material assumed to leave one area and enter another), for calculating an LPF value. The outside release is dependsent upon the ventilation/filtration system, both filtered and un-filtered, and from other pathways from the building, such as doorways (, both open and closed). This study is presents ed to show how the multiple leak path factorsLPFs from the interior building can be evaluated in a combinatory process in which a total leak path factorLPF is calculated, thus addressing the assumed multiplication, and allowing for the designation and assessment of a respirable source term (ST) for later consequence analysis, in which: the propagation of material released into the environmental atmosphere can be modeled and the dose received by a receptor placed downwind can be estimated and the distance adjusted to maintains such exposures as low as reasonably achievableALARA.. Also, this study will briefly addresses particle characteristics thatwhich affect atmospheric particle dispersion, and compares this dispersion with leak path factorLPF methodology.

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

    Science.gov (United States)

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

    2018-05-01

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

  14. Lost opportunities: Modeling commercial building energy code adoption in the United States

    International Nuclear Information System (INIS)

    Nelson, Hal T.

    2012-01-01

    This paper models the adoption of commercial building energy codes in the US between 1977 and 2006. Energy code adoption typically results in an increase in aggregate social welfare by cost effectively reducing energy expenditures. Using a Cox proportional hazards model, I test if relative state funding, a new, objective, multivariate regression-derived measure of government capacity, as well as a vector of control variables commonly used in comparative state research, predict commercial building energy code adoption. The research shows little political influence over historical commercial building energy code adoption in the sample. Colder climates and higher electricity prices also do not predict more frequent code adoptions. I do find evidence of high government capacity states being 60 percent more likely than low capacity states to adopt commercial building energy codes in the following year. Wealthier states are also more likely to adopt commercial codes. Policy recommendations to increase building code adoption include increasing access to low cost capital for the private sector and providing noncompetitive block grants to the states from the federal government. - Highlights: ► Model the adoption of commercial building energy codes from 1977–2006 in the US. ► Little political influence over historical building energy code adoption. ► High capacity states are over 60 percent more likely than low capacity states to adopt codes. ► Wealthier states are more likely to adopt commercial codes. ► Access to capital and technical assistance is critical to increase code adoption.

  15. Porosity Development in a Coastal Setting: A Reactive Transport Model to Assess the Influence of Heterogeneity of Hydrological, Geochemical and Lithological Conditions

    Science.gov (United States)

    Maqueda, A.; Renard, P.; Cornaton, F. J.

    2014-12-01

    Coastal karst networks are formed by mineral dissolution, mainly calcite, in the freshwater-saltwater mixing zone. The problem has been approached first by studying the kinetics of calcite dissolution and then coupling ion-pairing software with flow and mass transport models. Porosity development models require high computational power. A workaround to reduce computational complexity is to assume the calcite dissolution reaction is relatively fast, thus equilibrium chemistry can be used to model it (Sanford & Konikow, 1989). Later developments allowed the full coupling of kinetics and transport in a model. However kinetics effects of calcite dissolution were found negligible under the single set of assumed hydrological and geochemical boundary conditions. A model is implemented with the coupling of FeFlow software as the flow & transport module and PHREEQC4FEFLOW (Wissmeier, 2013) ion-pairing module. The model is used to assess the influence of heterogeneities in hydrological, geochemical and lithological boundary conditions on porosity evolution. The hydrologic conditions present in the karst aquifer of Quintana Roo coast in Mexico are used as a guide for generating inputs for simulations.

  16. Coding conventions and principles for a National Land-Change Modeling Framework

    Science.gov (United States)

    Donato, David I.

    2017-07-14

    This report establishes specific rules for writing computer source code for use with the National Land-Change Modeling Framework (NLCMF). These specific rules consist of conventions and principles for writing code primarily in the C and C++ programming languages. Collectively, these coding conventions and coding principles create an NLCMF programming style. In addition to detailed naming conventions, this report provides general coding conventions and principles intended to facilitate the development of high-performance software implemented with code that is extensible, flexible, and interoperable. Conventions for developing modular code are explained in general terms and also enabled and demonstrated through the appended templates for C++ base source-code and header files. The NLCMF limited-extern approach to module structure, code inclusion, and cross-module access to data is both explained in the text and then illustrated through the module templates. Advice on the use of global variables is provided.

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

    Science.gov (United States)

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

    2017-10-01

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

  18. Three-field modeling for MARS 1-D code

    International Nuclear Information System (INIS)

    Hwang, Moonkyu; Lim, Ho-Gon; Jeong, Jae-Jun; Chung, Bub-Dong

    2006-01-01

    In this study, the three-field modeling of the two-phase mixture is developed. The finite difference equations for the three-field equations thereafter are devised. The solution scheme has been implemented into the MARS 1-D code. The three-field formulations adopted are similar to those for MARS 3-D module, in a sense that the mass and momentum are treated separately for the entrained liquid and continuous liquid. As in the MARS-3D module, the entrained liquid and continuous liquid are combined into one for the energy equation, assuming thermal equilibrium between the two. All the non-linear terms are linearized to arrange the finite difference equation set into a linear matrix form with respect to the unknown arguments. The problems chosen for the assessment of the newly added entrained field consist of basic conceptual tests. Among the tests are gas-only test, liquid-only test, gas-only with supplied entrained liquid test, Edwards pipe problem, and GE level swell problem. The conceptual tests performed confirm the sound integrity of the three-field solver

  19. Cross-band noise model refinement for transform domain Wyner–Ziv video coding

    DEFF Research Database (Denmark)

    Huang, Xin; Forchhammer, Søren

    2012-01-01

    TDWZ video coding trails that of conventional video coding solutions, mainly due to the quality of side information, inaccurate noise modeling and loss in the final coding step. The major goal of this paper is to enhance the accuracy of the noise modeling, which is one of the most important aspects...... influencing the coding performance of DVC. A TDWZ video decoder with a novel cross-band based adaptive noise model is proposed, and a noise residue refinement scheme is introduced to successively update the estimated noise residue for noise modeling after each bit-plane. Experimental results show...... that the proposed noise model and noise residue refinement scheme can improve the rate-distortion (RD) performance of TDWZ video coding significantly. The quality of the side information modeling is also evaluated by a measure of the ideal code length....

  20. On the development of LWR fuel analysis code (1). Analysis of the FEMAXI code and proposal of a new model

    International Nuclear Information System (INIS)

    Lemehov, Sergei; Suzuki, Motoe

    2000-01-01

    This report summarizes the review on the modeling features of FEMAXI code and proposal of a new theoretical equation model of clad creep on the basis of irradiation-induced microstructure change. It was pointed out that plutonium build-up in fuel matrix and non-uniform radial power profile at high burn-up affect significantly fuel behavior through the interconnected effects with such phenomena as clad irradiation-induced creep, fission gas release, fuel thermal conductivity degradation, rim porous band formation and associated fuel swelling. Therefore, these combined effects should be properly incorporated into the models of the FEMAXI code so that the code can carry out numerical analysis at the level of accuracy and elaboration that modern experimental data obtained in test reactors have. Also, the proposed new mechanistic clad creep model has a general formalism which allows the model to be flexibly applied for clad behavior analysis under normal operation conditions and power transients as well for Zr-based clad materials by the use of established out-of-pile mechanical properties. The model has been tested against experimental data, while further verification is needed with specific emphasis on power ramps and transients. (author)

  1. Geochemical exploration for uranium

    International Nuclear Information System (INIS)

    1988-01-01

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

  2. Sodium/water pool-deposit bed model of the CONACS code

    International Nuclear Information System (INIS)

    Peak, R.D.

    1983-01-01

    A new Pool-Bed model of the CONACS (Containment Analysis Code System) code represents a major advance over the pool models of other containment analysis code (NABE code of France, CEDAN code of Japan and CACECO and CONTAIN codes of the United States). This new model advances pool-bed modeling because of the number of significant materials and processes which are included with appropriate rigor. This CONACS pool-bed model maintains material balances for eight chemical species (C, H 2 O, Na, NaH, Na 2 O, Na 2 O 2 , Na 2 CO 3 and NaOH) that collect in the stationary liquid pool on the floor and in the desposit bed on the elevated shelf of the standard CONACS analysis cell

  3. A Perceptual Model for Sinusoidal Audio Coding Based on Spectral Integration

    NARCIS (Netherlands)

    Van de Par, S.; Kohlrausch, A.; Heusdens, R.; Jensen, J.; Holdt Jensen, S.

    2005-01-01

    Psychoacoustical models have been used extensively within audio coding applications over the past decades. Recently, parametric coding techniques have been applied to general audio and this has created the need for a psychoacoustical model that is specifically suited for sinusoidal modelling of

  4. A perceptual model for sinusoidal audio coding based on spectral integration

    NARCIS (Netherlands)

    Van de Par, S.; Kohlrauch, A.; Heusdens, R.; Jensen, J.; Jensen, S.H.

    2005-01-01

    Psychoacoustical models have been used extensively within audio coding applications over the past decades. Recently, parametric coding techniques have been applied to general audio and this has created the need for a psychoacoustical model that is specifically suited for sinusoidal modelling of

  5. COCOA Code for Creating Mock Observations of Star Cluster Models

    OpenAIRE

    Askar, Abbas; Giersz, Mirek; Pych, Wojciech; Dalessandro, Emanuele

    2017-01-01

    We introduce and present results from the COCOA (Cluster simulatiOn Comparison with ObservAtions) code that has been developed to create idealized mock photometric observations using results from numerical simulations of star cluster evolution. COCOA is able to present the output of realistic numerical simulations of star clusters carried out using Monte Carlo or \\textit{N}-body codes in a way that is useful for direct comparison with photometric observations. In this paper, we describe the C...

  6. MIG version 0.0 model interface guidelines: Rules to accelerate installation of numerical models into any compliant parent code

    Energy Technology Data Exchange (ETDEWEB)

    Brannon, R.M.; Wong, M.K.

    1996-08-01

    A set of model interface guidelines, called MIG, is presented as a means by which any compliant numerical material model can be rapidly installed into any parent code without having to modify the model subroutines. Here, {open_quotes}model{close_quotes} usually means a material model such as one that computes stress as a function of strain, though the term may be extended to any numerical operation. {open_quotes}Parent code{close_quotes} means a hydrocode, finite element code, etc. which uses the model and enforces, say, the fundamental laws of motion and thermodynamics. MIG requires the model developer (who creates the model package) to specify model needs in a standardized but flexible way. MIG includes a dictionary of technical terms that allows developers and parent code architects to share a common vocabulary when specifying field variables. For portability, database management is the responsibility of the parent code. Input/output occurs via structured calling arguments. As much model information as possible (such as the lists of required inputs, as well as lists of precharacterized material data and special needs) is supplied by the model developer in an ASCII text file. Every MIG-compliant model also has three required subroutines to check data, to request extra field variables, and to perform model physics. To date, the MIG scheme has proven flexible in beta installations of a simple yield model, plus a more complicated viscodamage yield model, three electromechanical models, and a complicated anisotropic microcrack constitutive model. The MIG yield model has been successfully installed using identical subroutines in three vectorized parent codes and one parallel C++ code, all predicting comparable results. By maintaining one model for many codes, MIG facilitates code-to-code comparisons and reduces duplication of effort, thereby reducing the cost of installing and sharing models in diverse new codes.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-12-15

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

  8. Mechanistic modelling of gaseous fission product behaviour in UO2 fuel by Rtop code

    International Nuclear Information System (INIS)

    Kanukova, V.D.; Khoruzhii, O.V.; Kourtchatov, S.Y.; Likhanskii, V.V.; Matveew, L.V.

    2002-01-01

    The current status of a mechanistic modelling by the RTOP code of the fission product behaviour in polycrystalline UO 2 fuel is described. An outline of the code and implemented physical models is presented. The general approach to code validation is discussed. It is exemplified by the results of validation of the models of fuel oxidation and grain growth. The different models of intragranular and intergranular gas bubble behaviour have been tested and the sensitivity of the code in the framework of these models has been analysed. An analysis of available models of the resolution of grain face bubbles is also presented. The possibilities of the RTOP code are presented through the example of modelling behaviour of WWER fuel over the course of a comparative WWER-PWR experiment performed at Halden and by comparison with Yanagisawa experiments. (author)

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

    International Nuclear Information System (INIS)

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

    2001-07-01

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

  10. Application of the thermal-hydraulic codes in VVER-440 steam generators modelling

    Energy Technology Data Exchange (ETDEWEB)

    Matejovic, P.; Vranca, L.; Vaclav, E. [Nuclear Power Plant Research Inst. VUJE (Slovakia)

    1995-12-31

    Performances with the CATHARE2 V1.3U and RELAP5/MOD3.0 application to the VVER-440 SG modelling during normal conditions and during transient with secondary water lowering are described. Similar recirculation model was chosen for both codes. In the CATHARE calculation, no special measures were taken with the aim to optimize artificially flow rate distribution coefficients for the junction between SG riser and steam dome. Contrary to RELAP code, the CATHARE code is able to predict reasonable the secondary swell level in nominal conditions. Both codes are able to model properly natural phase separation on the SG water level. 6 refs.

  11. Application of the thermal-hydraulic codes in VVER-440 steam generators modelling

    Energy Technology Data Exchange (ETDEWEB)

    Matejovic, P; Vranca, L; Vaclav, E [Nuclear Power Plant Research Inst. VUJE (Slovakia)

    1996-12-31

    Performances with the CATHARE2 V1.3U and RELAP5/MOD3.0 application to the VVER-440 SG modelling during normal conditions and during transient with secondary water lowering are described. Similar recirculation model was chosen for both codes. In the CATHARE calculation, no special measures were taken with the aim to optimize artificially flow rate distribution coefficients for the junction between SG riser and steam dome. Contrary to RELAP code, the CATHARE code is able to predict reasonable the secondary swell level in nominal conditions. Both codes are able to model properly natural phase separation on the SG water level. 6 refs.

  12. Progress in nuclear well logging modeling using deterministic transport codes

    International Nuclear Information System (INIS)

    Kodeli, I.; Aldama, D.L.; Maucec, M.; Trkov, A.

    2002-01-01

    Further studies in continuation of the work presented in 2001 in Portoroz were performed in order to study and improve the performances, precission and domain of application of the deterministic transport codes with respect to the oil well logging analysis. These codes are in particular expected to complement the Monte Carlo solutions, since they can provide a detailed particle flux distribution in the whole geometry in a very reasonable CPU time. Real-time calculation can be envisaged. The performances of deterministic transport methods were compared to those of the Monte Carlo method. IRTMBA generic benchmark was analysed using the codes MCNP-4C and DORT/TORT. Centric as well as excentric casings were considered using 14 MeV point neutron source and NaI scintillation detectors. Neutron and gamma spectra were compared at two detector positions.(author)

  13. Implementation of JAERI's reflood model into TRAC-PF1/MOD1 code

    International Nuclear Information System (INIS)

    Akimoto, Hajime; Ohnuki, Akira; Murao, Yoshio

    1993-02-01

    Selected physical models of REFLA code, that is a reflood analysis code developed at JAERI, were implemented into the TRAC-PF1/MOD1 code in order to improve the predictive capability of the TRAC-PF1/MOD1 code for the core thermal hydraulic behaviors during the reflood phase in a PWR LOCA. Through comparisons of physical models between both codes, (1) Murao-Iguchi void fraction correlation, (2) the drag coefficient correlation acting to drops, (3) the correlation for wall heat transfer coefficient in the film boiling regime, (4) the quench velocity correlation and (5) heat transfer correlations for the dispersed flow regime were selected from the REFLA code to be implemented into the TRAC-PF1/MOD1 code. A method for the transformation of the void fraction correlation to the equivalent interfacial friction model was developed and the effect of the transformation method on the stability of the solution was discussed. Through assessment calculation using data from CCTF (Cylindrical Core Test Facility) flat power test, it was confirmed that the predictive capability of the TRAC code for the core thermal hydraulic behaviors during the reflood can be improved by the implementation of selected physical models of the REFLA code. Several user guidelines for the modified TRAC code were proposed based on the sensitivity studies on fluid cell number in the hydraulic calculation and on node number and effect of axial heat conduction in the heat conduction calculation of fuel rod. (author)

  14. Simulated evolution applied to study the genetic code optimality using a model of codon reassignments.

    Science.gov (United States)

    Santos, José; Monteagudo, Angel

    2011-02-21

    As the canonical code is not universal, different theories about its origin and organization have appeared. The optimization or level of adaptation of the canonical genetic code was measured taking into account the harmful consequences resulting from point mutations leading to the replacement of one amino acid for another. There are two basic theories to measure the level of optimization: the statistical approach, which compares the canonical genetic code with many randomly generated alternative ones, and the engineering approach, which compares the canonical code with the best possible alternative. Here we used a genetic algorithm to search for better adapted hypothetical codes and as a method to guess the difficulty in finding such alternative codes, allowing to clearly situate the canonical code in the fitness landscape. This novel proposal of the use of evolutionary computing provides a new perspective in the open debate between the use of the statistical approach, which postulates that the genetic code conserves amino acid properties far better than expected from a random code, and the engineering approach, which tends to indicate that the canonical genetic code is still far from optimal. We used two models of hypothetical codes: one that reflects the known examples of codon reassignment and the model most used in the two approaches which reflects the current genetic code translation table. Although the standard code is far from a possible optimum considering both models, when the more realistic model of the codon reassignments was used, the evolutionary algorithm had more difficulty to overcome the efficiency of the canonical genetic code. Simulated evolution clearly reveals that the canonical genetic code is far from optimal regarding its optimization. Nevertheless, the efficiency of the canonical code increases when mistranslations are taken into account with the two models, as indicated by the fact that the best possible codes show the patterns of the

  15. Simulated evolution applied to study the genetic code optimality using a model of codon reassignments

    Directory of Open Access Journals (Sweden)

    Monteagudo Ángel

    2011-02-01

    Full Text Available Abstract Background As the canonical code is not universal, different theories about its origin and organization have appeared. The optimization or level of adaptation of the canonical genetic code was measured taking into account the harmful consequences resulting from point mutations leading to the replacement of one amino acid for another. There are two basic theories to measure the level of optimization: the statistical approach, which compares the canonical genetic code with many randomly generated alternative ones, and the engineering approach, which compares the canonical code with the best possible alternative. Results Here we used a genetic algorithm to search for better adapted hypothetical codes and as a method to guess the difficulty in finding such alternative codes, allowing to clearly situate the canonical code in the fitness landscape. This novel proposal of the use of evolutionary computing provides a new perspective in the open debate between the use of the statistical approach, which postulates that the genetic code conserves amino acid properties far better than expected from a random code, and the engineering approach, which tends to indicate that the canonical genetic code is still far from optimal. We used two models of hypothetical codes: one that reflects the known examples of codon reassignment and the model most used in the two approaches which reflects the current genetic code translation table. Although the standard code is far from a possible optimum considering both models, when the more realistic model of the codon reassignments was used, the evolutionary algorithm had more difficulty to overcome the efficiency of the canonical genetic code. Conclusions Simulated evolution clearly reveals that the canonical genetic code is far from optimal regarding its optimization. Nevertheless, the efficiency of the canonical code increases when mistranslations are taken into account with the two models, as indicated by the

  16. Hybrid microscopic depletion model in nodal code DYN3D

    International Nuclear Information System (INIS)

    Bilodid, Y.; Kotlyar, D.; Shwageraus, E.; Fridman, E.; Kliem, S.

    2016-01-01

    Highlights: • A new hybrid method of accounting for spectral history effects is proposed. • Local concentrations of over 1000 nuclides are calculated using micro depletion. • The new method is implemented in nodal code DYN3D and verified. - Abstract: The paper presents a general hybrid method that combines the micro-depletion technique with correction of micro- and macro-diffusion parameters to account for the spectral history effects. The fuel in a core is subjected to time- and space-dependent operational conditions (e.g. coolant density), which cannot be predicted in advance. However, lattice codes assume some average conditions to generate cross sections (XS) for nodal diffusion codes such as DYN3D. Deviation of local operational history from average conditions leads to accumulation of errors in XS, which is referred as spectral history effects. Various methods to account for the spectral history effects, such as spectral index, burnup-averaged operational parameters and micro-depletion, were implemented in some nodal codes. Recently, an alternative method, which characterizes fuel depletion state by burnup and 239 Pu concentration (denoted as Pu-correction) was proposed, implemented in nodal code DYN3D and verified for a wide range of history effects. The method is computationally efficient, however, it has applicability limitations. The current study seeks to improve the accuracy and applicability range of Pu-correction method. The proposed hybrid method combines the micro-depletion method with a XS characterization technique similar to the Pu-correction method. The method was implemented in DYN3D and verified on multiple test cases. The results obtained with DYN3D were compared to those obtained with Monte Carlo code Serpent, which was also used to generate the XS. The observed differences are within the statistical uncertainties.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-12-15

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

  18. Experimental data bases useful for quantification of model uncertainties in best estimate codes

    International Nuclear Information System (INIS)

    Wilson, G.E.; Katsma, K.R.; Jacobson, J.L.; Boodry, K.S.

    1988-01-01

    A data base is necessary for assessment of thermal hydraulic codes within the context of the new NRC ECCS Rule. Separate effect tests examine particular phenomena that may be used to develop and/or verify models and constitutive relationships in the code. Integral tests are used to demonstrate the capability of codes to model global characteristics and sequence of events for real or hypothetical transients. The nuclear industry has developed a large experimental data base of fundamental nuclear, thermal-hydraulic phenomena for code validation. Given a particular scenario, and recognizing the scenario's important phenomena, selected information from this data base may be used to demonstrate applicability of a particular code to simulate the scenario and to determine code model uncertainties. LBLOCA experimental data bases useful to this objective are identified in this paper. 2 tabs

  19. INTRA/Mod3.2. Manual and Code Description. Volume I - Physical Modelling

    International Nuclear Information System (INIS)

    Andersson, Jenny; Edlund, O.; Hermann, J.; Johansson, Lise-Lotte

    1999-01-01

    The INTRA Manual consists of two volumes. Volume I of the manual is a thorough description of the code INTRA, the Physical modelling of INTRA and the ruling numerical methods and volume II, the User's Manual is an input description. This document, the Physical modelling of INTRA, contains code characteristics, integration methods and applications

  20. INTRA/Mod3.2. Manual and Code Description. Volume I - Physical Modelling

    Energy Technology Data Exchange (ETDEWEB)

    Andersson, Jenny; Edlund, O; Hermann, J; Johansson, Lise-Lotte

    1999-01-01

    The INTRA Manual consists of two volumes. Volume I of the manual is a thorough description of the code INTRA, the Physical modelling of INTRA and the ruling numerical methods and volume II, the User`s Manual is an input description. This document, the Physical modelling of INTRA, contains code characteristics, integration methods and applications

  1. Modelling of the RA-1 reactor using a Monte Carlo code

    International Nuclear Information System (INIS)

    Quinteiro, Guillermo F.; Calabrese, Carlos R.

    2000-01-01

    It was carried out for the first time, a model of the Argentine RA-1 reactor using the MCNP Monte Carlo code. This model was validated using data for experimental neutron and gamma measurements at different energy ranges and locations. In addition, the resulting fluxes were compared with the data obtained using a 3D diffusion code. (author)

  2. Modelling of fluid-solid interaction using two stand-alone codes

    CSIR Research Space (South Africa)

    Grobler, Jan H

    2010-01-01

    Full Text Available A method is proposed for the modelling of fluid-solid interaction in applications where fluid forces dominate. Data are transferred between two stand-alone codes: a dedicated computational fluid dynamics (CFD) code capable of free surface modelling...

  3. Reconnaissance Geochemical Study

    African Journals Online (AJOL)

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

  4. Improving system modeling accuracy with Monte Carlo codes

    International Nuclear Information System (INIS)

    Johnson, A.S.

    1996-01-01

    The use of computer codes based on Monte Carlo methods to perform criticality calculations has become common-place. Although results frequently published in the literature report calculated k eff values to four decimal places, people who use the codes in their everyday work say that they only believe the first two decimal places of any result. The lack of confidence in the computed k eff values may be due to the tendency of the reported standard deviation to underestimate errors associated with the Monte Carlo process. The standard deviation as reported by the codes is the standard deviation of the mean of the k eff values for individual generations in the computer simulation, not the standard deviation of the computed k eff value compared with the physical system. A more subtle problem with the standard deviation of the mean as reported by the codes is that all the k eff values from the separate generations are not statistically independent since the k eff of a given generation is a function of k eff of the previous generation, which is ultimately based on the starting source. To produce a standard deviation that is more representative of the physical system, statistically independent values of k eff are needed

  5. The APS SASE FEL: modeling and code comparison

    International Nuclear Information System (INIS)

    Biedron, S. G.

    1999-01-01

    A self-amplified spontaneous emission (SASE) free-electron laser (FEL) is under construction at the Advanced Photon Source (APS). Five FEL simulation codes were used in the design phase: GENESIS, GINGER, MEDUSA, RON, and TDA3D. Initial comparisons between each of these independent formulations show good agreement for the parameters of the APS SASE FEL

  6. Modeling of the YALINA booster facility by the Monte Carlo code MONK

    International Nuclear Information System (INIS)

    Talamo, A.; Gohar, Y.; Kondev, F.; Kiyavitskaya, H.; Serafimovich, I.; Bournos, V.; Fokov, Y.; Routkovskaya, C.

    2007-01-01

    The YALINA-Booster facility has been modeled according to the benchmark specifications defined for the IAEA activity without any geometrical homogenization using the Monte Carlo codes MONK and MCNP/MCNPX/MCB. The MONK model perfectly matches the MCNP one. The computational analyses have been extended through the MCB code, which is an extension of the MCNP code with burnup capability because of its additional feature for analyzing source driven multiplying assemblies. The main neutronics arameters of the YALINA-Booster facility were calculated using these computer codes with different nuclear data libraries based on ENDF/B-VI-0, -6, JEF-2.2, and JEF-3.1.

  7. Modular Modeling System (MMS) code: a versatile power plant analysis package

    International Nuclear Information System (INIS)

    Divakaruni, S.M.; Wong, F.K.L.

    1987-01-01

    The basic version of the Modular Modeling System (MMS-01), a power plant systems analysis computer code jointly developed by the Nuclear Power and the Coal Combustion Systems Divisions of the Electric Power Research Institute (EPRI), has been released to the utility power industry in April 1983 at a code release workshop held in Charlotte, North Carolina. Since then, additional modules have been developed to analyze the Pressurized Water Reactors (PWRs) and the Boiling Water Reactors (BWRs) when the safety systems are activated. Also, a selected number of modules in the MMS-01 library have been modified to allow the code users more flexibility in constructing plant specific systems for analysis. These new PWR and BWR modules constitute the new MMS library, and it includes the modifications to the MMS-01 library. A year and half long extensive code qualification program of this new version of the MMS code at EPRI and the contractor sites, back by further code testing in an user group environment is culminating in the MMS-02 code release announcement seminar. At this seminar, the results of user group efforts and the code qualification program will be presented in a series of technical sessions. A total of forty-nine papers will be presented to describe the new code features and the code qualification efforts. For the sake of completion, an overview of the code is presented to include the history of the code development, description of the MMS code and its structure, utility engineers involvement in MMS-01 and MMS-02 validations, the enhancements made in the last 18 months to the code, and finally the perspective on the code future in the fossil and nuclear industry

  8. The modeling of core melting and in-vessel corium relocation in the APRIL code

    Energy Technology Data Exchange (ETDEWEB)

    Kim. S.W.; Podowski, M.Z.; Lahey, R.T. [Rensselaer Polytechnic Institute, Troy, NY (United States)] [and others

    1995-09-01

    This paper is concerned with the modeling of severe accident phenomena in boiling water reactors (BWR). New models of core melting and in-vessel corium debris relocation are presented, developed for implementation in the APRIL computer code. The results of model testing and validations are given, including comparisons against available experimental data and parametric/sensitivity studies. Also, the application of these models, as parts of the APRIL code, is presented to simulate accident progression in a typical BWR reactor.

  9. Development of CAP code for nuclear power plant containment: Lumped model

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Soon Joon, E-mail: sjhong90@fnctech.com [FNC Tech. Co. Ltd., Heungdeok 1 ro 13, Giheung-gu, Yongin-si, Gyeonggi-do 446-908 (Korea, Republic of); Choo, Yeon Joon; Hwang, Su Hyun; Lee, Byung Chul [FNC Tech. Co. Ltd., Heungdeok 1 ro 13, Giheung-gu, Yongin-si, Gyeonggi-do 446-908 (Korea, Republic of); Ha, Sang Jun [Central Research Institute, Korea Hydro & Nuclear Power Company, Ltd., 70, 1312-gil, Yuseong-daero, Yuseong-gu, Daejeon 305-343 (Korea, Republic of)

    2015-09-15

    Highlights: • State-of-art containment analysis code, CAP, has been developed. • CAP uses 3-field equations, water level oriented upwind scheme, local head model. • CAP has a function of linked calculation with reactor coolant system code. • CAP code assessments showed appropriate prediction capabilities. - Abstract: CAP (nuclear Containment Analysis Package) code has been developed in Korean nuclear society for the analysis of nuclear containment thermal hydraulic behaviors including pressure and temperature trends and hydrogen concentration. Lumped model of CAP code uses 2-phase, 3-field equations for fluid behaviors, and has appropriate constitutive equations, 1-dimensional heat conductor model, component models, trip and control models, and special process models. CAP can run in a standalone mode or a linked mode with a reactor coolant system analysis code. The linked mode enables the more realistic calculation of a containment response and is expected to be applicable to a more complicated advanced plant design calculation. CAP code assessments were carried out by gradual approaches: conceptual problems, fundamental phenomena, component and principal phenomena, experimental validation, and finally comparison with other code calculations on the base of important phenomena identifications. The assessments showed appropriate prediction capabilities of CAP.

  10. Development of CAP code for nuclear power plant containment: Lumped model

    International Nuclear Information System (INIS)

    Hong, Soon Joon; Choo, Yeon Joon; Hwang, Su Hyun; Lee, Byung Chul; Ha, Sang Jun

    2015-01-01

    Highlights: • State-of-art containment analysis code, CAP, has been developed. • CAP uses 3-field equations, water level oriented upwind scheme, local head model. • CAP has a function of linked calculation with reactor coolant system code. • CAP code assessments showed appropriate prediction capabilities. - Abstract: CAP (nuclear Containment Analysis Package) code has been developed in Korean nuclear society for the analysis of nuclear containment thermal hydraulic behaviors including pressure and temperature trends and hydrogen concentration. Lumped model of CAP code uses 2-phase, 3-field equations for fluid behaviors, and has appropriate constitutive equations, 1-dimensional heat conductor model, component models, trip and control models, and special process models. CAP can run in a standalone mode or a linked mode with a reactor coolant system analysis code. The linked mode enables the more realistic calculation of a containment response and is expected to be applicable to a more complicated advanced plant design calculation. CAP code assessments were carried out by gradual approaches: conceptual problems, fundamental phenomena, component and principal phenomena, experimental validation, and finally comparison with other code calculations on the base of important phenomena identifications. The assessments showed appropriate prediction capabilities of CAP

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

    International Nuclear Information System (INIS)

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

    1991-01-01

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

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

    Science.gov (United States)

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

    2013-05-01

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

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

    International Nuclear Information System (INIS)

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

    2008-01-01

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

  14. Modelling of Cold Water Hammer with WAHA code

    International Nuclear Information System (INIS)

    Gale, J.; Tiselj, I.

    2003-01-01

    The Cold Water Hammer experiment described in the present paper is a simple facility where overpressure accelerates a column of liquid water into the steam bubble at the closed vertical end of the pipe. Severe water hammer with high pressure peak occurs when the vapor bubble condenses and the liquid column hits the closed end of the pipe. Experimental data of Forschungszentrum Rossendorf are being used to test the newly developed computer code WAHA and the computer code RELAP5. Results show that a small amount of noncondensable air in the steam bubble significantly affects the magnitude of the calculated pressure peak, while the wall friction and condensation rate only slightly affect the simulated phenomena. (author)

  15. A predictive transport modeling code for ICRF-heated tokamaks

    International Nuclear Information System (INIS)

    Phillips, C.K.; Hwang, D.Q.

    1992-02-01

    In this report, a detailed description of the physic included in the WHIST/RAZE package as well as a few illustrative examples of the capabilities of the package will be presented. An in depth analysis of ICRF heating experiments using WHIST/RAZE will be discussed in a forthcoming report. A general overview of philosophy behind the structure of the WHIST/RAZE package, a summary of the features of the WHIST code, and a description of the interface to the RAZE subroutines are presented in section 2 of this report. Details of the physics contained in the RAZE code are examined in section 3. Sample results from the package follow in section 4, with concluding remarks and a discussion of possible improvements to the package discussed in section 5

  16. Modelling of the Rod Control System in the coupled code RELAP5-QUABOX/CUBBOX

    International Nuclear Information System (INIS)

    Bencik, V.; Feretic, D.; Grgic, D.

    1999-01-01

    There is a general agreement that for many light water reactor transient calculations, it is necessary to use a multidimensional neutron kinetics model coupled to sophisticated thermal-hydraulic models in order to obtain satisfactory results. These calculations are needed for a variety of applications for licensing safety analyses, probabilistic risk assessment, operational support, and training. At FER, Zagreb, a coupling of 3D neutronics code QUABOX/CUBBOX and system code RELAP5 was performed. In the paper the Rod Control System model in the RELAP5 part of the coupled code is presented. A first testing of the model was performed by calculation of reactor trip from full power for NPP Krsko. Results of 3D neutronics calculation obtained by coupled code QUABOX/CUBBOX were compared with point kinetics calculation performed with RELAP5 stand alone code.(author)

  17. Improved virtual channel noise model for transform domain Wyner-Ziv video coding

    DEFF Research Database (Denmark)

    Huang, Xin; Forchhammer, Søren

    2009-01-01

    Distributed video coding (DVC) has been proposed as a new video coding paradigm to deal with lossy source coding using side information to exploit the statistics at the decoder to reduce computational demands at the encoder. A virtual channel noise model is utilized at the decoder to estimate...... the noise distribution between the side information frame and the original frame. This is one of the most important aspects influencing the coding performance of DVC. Noise models with different granularity have been proposed. In this paper, an improved noise model for transform domain Wyner-Ziv video...... coding is proposed, which utilizes cross-band correlation to estimate the Laplacian parameters more accurately. Experimental results show that the proposed noise model can improve the rate-distortion (RD) performance....

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

    DEFF Research Database (Denmark)

    Ahm, Anne-Sofie Crüger

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

  19. A vectorized Monte Carlo code for modeling photon transport in SPECT

    International Nuclear Information System (INIS)

    Smith, M.F.; Floyd, C.E. Jr.; Jaszczak, R.J.

    1993-01-01

    A vectorized Monte Carlo computer code has been developed for modeling photon transport in single photon emission computed tomography (SPECT). The code models photon transport in a uniform attenuating region and photon detection by a gamma camera. It is adapted from a history-based Monte Carlo code in which photon history data are stored in scalar variables and photon histories are computed sequentially. The vectorized code is written in FORTRAN77 and uses an event-based algorithm in which photon history data are stored in arrays and photon history computations are performed within DO loops. The indices of the DO loops range over the number of photon histories, and these loops may take advantage of the vector processing unit of our Stellar GS1000 computer for pipelined computations. Without the use of the vector processor the event-based code is faster than the history-based code because of numerical optimization performed during conversion to the event-based algorithm. When only the detection of unscattered photons is modeled, the event-based code executes 5.1 times faster with the use of the vector processor than without; when the detection of scattered and unscattered photons is modeled the speed increase is a factor of 2.9. Vectorization is a valuable way to increase the performance of Monte Carlo code for modeling photon transport in SPECT

  20. Evaluation of the analysis models in the ASTRA nuclear design code system

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Nam Jin; Park, Chang Jea; Kim, Do Sam; Lee, Kyeong Taek; Kim, Jong Woon [Korea Advanced Institute of Science and Technology, Taejon (Korea, Republic of)

    2000-11-15

    In the field of nuclear reactor design, main practice was the application of the improved design code systems. During the process, a lot of basis and knowledge were accumulated in processing input data, nuclear fuel reload design, production and analysis of design data, et al. However less efforts were done in the analysis of the methodology and in the development or improvement of those code systems. Recently, KEPO Nuclear Fuel Company (KNFC) developed the ASTRA (Advanced Static and Transient Reactor Analyzer) code system for the purpose of nuclear reactor design and analysis. In the code system, two group constants were generated from the CASMO-3 code system. The objective of this research is to analyze the analysis models used in the ASTRA/CASMO-3 code system. This evaluation requires indepth comprehension of the models, which is important so much as the development of the code system itself. Currently, most of the code systems used in domestic Nuclear Power Plant were imported, so it is very difficult to maintain and treat the change of the situation in the system. Therefore, the evaluation of analysis models in the ASTRA nuclear reactor design code system in very important.

  1. Nodal kinetics model upgrade in the Penn State coupled TRAC/NEM codes

    International Nuclear Information System (INIS)

    Beam, Tara M.; Ivanov, Kostadin N.; Baratta, Anthony J.; Finnemann, Herbert

    1999-01-01

    The Pennsylvania State University currently maintains and does development and verification work for its own versions of the coupled three-dimensional kinetics/thermal-hydraulics codes TRAC-PF1/NEM and TRAC-BF1/NEM. The subject of this paper is nodal model enhancements in the above mentioned codes. Because of the numerous validation studies that have been performed on almost every aspect of these codes, this upgrade is done without a major code rewrite. The upgrade consists of four steps. The first two steps are designed to improve the accuracy of the kinetics model, based on the nodal expansion method. The polynomial expansion solution of 1D transverse integrated diffusion equation is replaced with a solution, which uses a semi-analytic expansion. Further the standard parabolic polynomial representation of the transverse leakage in the above 1D equations is replaced with an improved approximation. The last two steps of the upgrade address the code efficiency by improving the solution of the time-dependent NEM equations and implementing a multi-grid solver. These four improvements are implemented into the standalone NEM kinetics code. Verification of this code was accomplished based on the original verification studies. The results show that the new methods improve the accuracy and efficiency of the code. The verification of the upgraded NEM model in the TRAC-PF1/NEM and TRAC-BF1/NEM coupled codes is underway

  2. Geochemical modelling of water-rock interactions at the Osamu Utsumi mine and Morro do Ferro analogue study sites, Pocos de Caldas, Brazil

    International Nuclear Information System (INIS)

    Nordstrom, D.K.; Puigdomenech, I.; McNutt, R.H.

    1990-01-01

    Geochemical processes involving water-rock interactions have been modelled using groundwater composition, mineralogical data, ion plots and computations of speciation, non-thermodynamic mass balance and thermodynamic mass transfer for two natural analogue sites near Pocos de Caldas, Brazil: the Osamu Utsumi mine and Morro do Ferro. The main rock type is an alkaline igneous complex composed of volcanic and sub-volcanic phonolites that have been hydrothermally altered and highly weathered. This altered rock mass grades from a laterite at the surface to a saprolite and finally to unweathered, hydrothermally altered bedrock at depth. The mine site contains high concentrations of uranium and Morro do Ferro contains high concentrations of thorium and rare-earths. The reaction models can reproduce the water chemistry and mineral occurences and they were validated by predicting the masses of minerals precipitated and the pH of the final water. The model computations can also reproduce the pH and iron concentrations of the water samples during CO 2 degassing and iron(II) oxidation from exposure to air. The results from the geochemical reaction models reveal that the dominant processes are production of CO 2 in the soil zone through aerobic decay of organic matter, dissolution of fluorite, calcite, K-feldspar, albite and manganese oxides, oxidation of pyrite and sphalerite and precipitation of ferric oxides, silica and kaolinite. Recharge waters are undersaturated with respect to barite and discharging waters and deeper groundwaters are saturated to supersaturated with respect to barite, demonstrating a strong equilibrium solubility control. Strontium isotope data demonstrate that sources other than calcium-bearing minerals are required to account for the dissolved strontium in the ground. These may include K-feldspar, smectite-chlorite mixed-layer clays and goyazite. (author) 24 figs., 4 tabs., 18 refs

  3. Parallelization of simulation code for liquid-gas model of lattice-gas fluid

    International Nuclear Information System (INIS)

    Kawai, Wataru; Ebihara, Kenichi; Kume, Etsuo; Watanabe, Tadashi

    2000-03-01

    A simulation code for hydrodynamical phenomena which is based on the liquid-gas model of lattice-gas fluid is parallelized by using MPI (Message Passing Interface) library. The parallelized code can be applied to the larger size of the simulations than the non-parallelized code. The calculation times of the parallelized code on VPP500 (Vector-Parallel super computer with dispersed memory units), AP3000 (Scalar-parallel server with dispersed memory units), and a workstation cluster decreased in inverse proportion to the number of processors. (author)

  4. Validation of the containment code Sirius: interpretation of an explosion experiment on a scale model

    International Nuclear Information System (INIS)

    Blanchet, Y.; Obry, P.; Louvet, J.; Deshayes, M.; Phalip, C.

    1979-01-01

    The explicit 2-D axisymmetric Langrangian code SIRIUS, developed at the CEA/DRNR, Cadarache, deals with transient compressive flows in deformable primary tanks with more or less complex internal component geometries. This code has been subjected to a two-year intensive validation program on scale model experiments and a number of improvements have been incorporated. This paper presents a recent calculation of one of these experiments using the SIRIUS code, and the comparison with experimental results shows the encouraging possibilities of this Lagrangian code

  5. A Test of Two Alternative Cognitive Processing Models: Learning Styles and Dual Coding

    Science.gov (United States)

    Cuevas, Joshua; Dawson, Bryan L.

    2018-01-01

    This study tested two cognitive models, learning styles and dual coding, which make contradictory predictions about how learners process and retain visual and auditory information. Learning styles-based instructional practices are common in educational environments despite a questionable research base, while the use of dual coding is less…

  6. Coupling of 3D neutronics models with the system code ATHLET

    International Nuclear Information System (INIS)

    Langenbuch, S.; Velkov, K.

    1999-01-01

    The system code ATHLET for plant transient and accident analysis has been coupled with 3D neutronics models, like QUABOX/CUBBOX, for the realistic evaluation of some specific safety problems under discussion. The considerations for the coupling approach and its realization are discussed. The specific features of the coupled code system established are explained and experience from first applications is presented. (author)

  7. HADES. A computer code for fast neutron cross section from the Optical Model

    International Nuclear Information System (INIS)

    Guasp, J.; Navarro, C.

    1973-01-01

    A FORTRAN V computer code for UNIVAC 1108/6 using a local Optical Model with spin-orbit interaction is described. The code calculates fast neutron cross sections, angular distribution, and Legendre moments for heavy and intermediate spherical nuclei. It allows for the possibility of automatic variation of potential parameters for experimental data fitting. (Author) 55 refs

  8. Implementation of the critical points model in a SFM-FDTD code working in oblique incidence

    Energy Technology Data Exchange (ETDEWEB)

    Hamidi, M; Belkhir, A; Lamrous, O [Laboratoire de Physique et Chimie Quantique, Universite Mouloud Mammeri, Tizi-Ouzou (Algeria); Baida, F I, E-mail: omarlamrous@mail.ummto.dz [Departement d' Optique P.M. Duffieux, Institut FEMTO-ST UMR 6174 CNRS Universite de Franche-Comte, 25030 Besancon Cedex (France)

    2011-06-22

    We describe the implementation of the critical points model in a finite-difference-time-domain code working in oblique incidence and dealing with dispersive media through the split field method. Some tests are presented to validate our code in addition to an application devoted to plasmon resonance of a gold nanoparticles grating.

  9. Mathematical models and illustrative results for the RINGBEARER II monopole/dipole beam-propagation code

    International Nuclear Information System (INIS)

    Chambers, F.W.; Masamitsu, J.A.; Lee, E.P.

    1982-01-01

    RINGBEARER II is a linearized monopole/dipole particle simulation code for studying intense relativistic electron beam propagation in gas. In this report the mathematical models utilized for beam particle dynamics and pinch field computation are delineated. Difficulties encountered in code operations and some remedies are discussed. Sample output is presented detailing the diagnostics and the methods of display and analysis utilized

  10. FISIC - a full-wave code to model ion cyclotron resonance heating of tokamak plasmas

    International Nuclear Information System (INIS)

    Kruecken, T.

    1988-08-01

    We present a user manual for the FISIC code which solves the integrodifferential wave equation in the finite Larmor radius approximation in fully toroidal geometry to simulate ICRF heating experiments. The code models the electromagnetic wave field as well as antenna coupling and power deposition profiles in axisymmetric plasmas. (orig.)

  11. PEBBLES: A COMPUTER CODE FOR MODELING PACKING, FLOW AND RECIRCULATIONOF PEBBLES IN A PEBBLE BED REACTOR

    Energy Technology Data Exchange (ETDEWEB)

    Joshua J. Cogliati; Abderrafi M. Ougouag

    2006-10-01

    A comprehensive, high fidelity model for pebble flow has been developed and embodied in the PEBBLES computer code. In this paper, a description of the physical artifacts included in the model is presented and some results from using the computer code for predicting the features of pebble flow and packing in a realistic pebble bed reactor design are shown. The sensitivity of models to various physical parameters is also discussed.

  12. Methods for geochemical analysis

    Science.gov (United States)

    Baedecker, Philip A.

    1987-01-01

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

  13. Automatic modeling for the Monte Carlo transport code Geant4

    International Nuclear Information System (INIS)

    Nie Fanzhi; Hu Liqin; Wang Guozhong; Wang Dianxi; Wu Yican; Wang Dong; Long Pengcheng; FDS Team

    2015-01-01

    Geant4 is a widely used Monte Carlo transport simulation package. Its geometry models could be described in Geometry Description Markup Language (GDML), but it is time-consuming and error-prone to describe the geometry models manually. This study implemented the conversion between computer-aided design (CAD) geometry models and GDML models. This method has been Studied based on Multi-Physics Coupling Analysis Modeling Program (MCAM). The tests, including FDS-Ⅱ model, demonstrated its accuracy and feasibility. (authors)

  14. A combined N-body and hydrodynamic code for modeling disk galaxies

    International Nuclear Information System (INIS)

    Schroeder, M.C.

    1989-01-01

    A combined N-body and hydrodynamic computer code for the modeling of two dimensional galaxies is described. The N-body portion of the code is used to calculate the motion of the particle component of a galaxy, while the hydrodynamics portion of the code is used to follow the motion and evolution of the fluid component. A complete description of the numerical methods used for each portion of the code is given. Additionally, the proof tests of the separate and combined portions of the code are presented and discussed. Finally, a discussion of the topics researched with the code and results obtained is presented. These include: the measurement of stellar relaxation times in disk galaxy simulations; the effects of two-armed spiral perturbations on stable axisymmetric disks; the effects of the inclusion of an instellar medium (ISM) on the stability of disk galaxies; and the effect of the inclusion of stellar evolution on disk galaxy simulations

  15. Subgroup A: nuclear model codes report to the Sixteenth Meeting of the WPEC

    International Nuclear Information System (INIS)

    Talou, P.; Chadwick, M.B.; Dietrich, F.S.; Herman, M.; Kawano, T.; Konig, A.; Oblozinsky, P.

    2004-01-01

    The Subgroup A activities focus on the development of nuclear reaction models and codes, used in evaluation work for nuclear reactions from the unresolved energy region up to the pion threshold production limit, and for target nuclides from the low teens and heavier. Much of the efforts are devoted by each participant to the continuing development of their own Institution codes. Progresses in this arena are reported in detail for each code in the present document. EMPIRE-II is of public access. The release of the TALYS code has been announced for the ND2004 Conference in Santa Fe, NM, October 2004. McGNASH is still under development and is not expected to be released in the very near future. In addition, Subgroup A members have demonstrated a growing interest in working on common modeling and codes capabilities, which would significantly reduce the amount of duplicate work, help manage efficiently the growing lines of existing codes, and render codes inter-comparison much easier. A recent and important activity of the Subgroup A has therefore been to develop the framework and the first bricks of the ModLib library, which is constituted of mostly independent pieces of codes written in Fortran 90 (and above) to be used in existing and future nuclear reaction codes. Significant progresses in the development of ModLib have been made during the past year. Several physics modules have been added to the library, and a few more have been planned in detail for the coming year.

  16. A workflow for handling heterogeneous 3D models with the TOUGH2 family of codes: Applications to numerical modeling of CO 2 geological storage

    Science.gov (United States)

    Audigane, Pascal; Chiaberge, Christophe; Mathurin, Frédéric; Lions, Julie; Picot-Colbeaux, Géraldine

    2011-04-01

    This paper is addressed to the TOUGH2 user community. It presents a new tool for handling simulations run with the TOUGH2 code with specific application to CO 2 geological storage. This tool is composed of separate FORTRAN subroutines (or modules) that can be run independently, using input and output files in ASCII format for TOUGH2. These modules have been developed specifically for modeling of carbon dioxide geological storage and their use with TOUGH2 and the Equation of State module ECO2N, dedicated to CO 2-water-salt mixture systems, with TOUGHREACT, which is an adaptation of TOUGH2 with ECO2N and geochemical fluid-rock interactions, and with TOUGH2 and the EOS7C module dedicated to CO 2-CH 4 gas mixture is described. The objective is to save time for the pre-processing, execution and visualization of complex geometry for geological system representation. The workflow is rapid and user-friendly and future implementation to other TOUGH2 EOS modules for other contexts (e.g. nuclear waste disposal, geothermal production) is straightforward. Three examples are shown for validation: (i) leakage of CO 2 up through an abandoned well; (ii) 3D reactive transport modeling of CO 2 in a sandy aquifer formation in the Sleipner gas Field, (North Sea, Norway); and (iii) an estimation of enhanced gas recovery technology using CO 2 as the injected and stored gas to produce methane in the K12B Gas Field (North Sea, Denmark).

  17. Development of thermal hydraulic models for the reliable regulatory auditing code

    Energy Technology Data Exchange (ETDEWEB)

    Chung, B. D.; Song, C. H.; Lee, Y. J.; Kwon, T. S.; Lee, S. W. [Korea Automic Energy Research Institute, Taejon (Korea, Republic of)

    2004-02-15

    The objective of this project is to develop thermal hydraulic models for use in improving the reliability of the regulatory auditing codes. The current year fall under the second step of the 3 year project, and the main researches were focused on the development of downcorner boiling model. During the current year, the bubble stream model of downcorner has been developed and installed in he auditing code. The model sensitivity analysis has been performed for APR1400 LBLOCA scenario using the modified code. The preliminary calculation has been performed for the experimental test facility using FLUENT and MARS code. The facility for air bubble experiment has been installed. The thermal hydraulic phenomena for VHTR and super critical reactor have been identified for the future application and model development.

  18. Realistic edge field model code REFC for designing and study of isochronous cyclotron

    International Nuclear Information System (INIS)

    Ismail, M.

    1989-01-01

    The focussing properties and the requirements for isochronism in cyclotron magnet configuration are well-known in hard edge field model. The fact that they quite often change considerably in realistic field can be attributed mainly to the influence of the edge field. A solution to this problem requires a field model which allows a simple construction of equilibrium orbit and yield simple formulae. This can be achieved by using a fitted realistic edge field (Hudson et al 1975) in the region of the pole edge and such a field model is therefore called a realistic edge field model. A code REFC based on realistic edge field model has been developed to design the cyclotron sectors and the code FIELDER has been used to study the beam properties. In this report REFC code has been described along with some relevant explaination of the FIELDER code. (author). 11 refs., 6 figs

  19. The MELTSPREAD Code for Modeling of Ex-Vessel Core Debris Spreading Behavior, Code Manual – Version3-beta

    Energy Technology Data Exchange (ETDEWEB)

    Farmer, M. T. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2017-09-01

    MELTSPREAD3 is a transient one-dimensional computer code that has been developed to predict the gravity-driven flow and freezing behavior of molten reactor core materials (corium) in containment geometries. Predictions can be made for corium flowing across surfaces under either dry or wet cavity conditions. The spreading surfaces that can be selected are steel, concrete, a user-specified material (e.g., a ceramic), or an arbitrary combination thereof. The corium can have a wide range of compositions of reactor core materials that includes distinct oxide phases (predominantly Zr, and steel oxides) plus metallic phases (predominantly Zr and steel). The code requires input that describes the containment geometry, melt “pour” conditions, and cavity atmospheric conditions (i.e., pressure, temperature, and cavity flooding information). For cases in which the cavity contains a preexisting water layer at the time of RPV failure, melt jet breakup and particle bed formation can be calculated mechanistically given the time-dependent melt pour conditions (input data) as well as the heatup and boiloff of water in the melt impingement zone (calculated). For core debris impacting either the containment floor or previously spread material, the code calculates the transient hydrodynamics and heat transfer which determine the spreading and freezing behavior of the melt. The code predicts conditions at the end of the spreading stage, including melt relocation distance, depth and material composition profiles, substrate ablation profile, and wall heatup. Code output can be used as input to other models such as CORQUENCH that evaluate long term core-concrete interaction behavior following the transient spreading stage. MELTSPREAD3 was originally developed to investigate BWR Mark I liner vulnerability, but has been substantially upgraded and applied to other reactor designs (e.g., the EPR), and more recently to the plant accidents at Fukushima Daiichi. The most recent round of

  20. Improvement on reaction model for sodium-water reaction jet code and application analysis

    International Nuclear Information System (INIS)

    Itooka, Satoshi; Saito, Yoshinori; Okabe, Ayao; Fujimata, Kazuhiro; Murata, Shuuichi

    2000-03-01

    In selecting the reasonable DBL on steam generator (SG), it is necessary to improve analytical method for estimating the sodium temperature on failure propagation due to overheating. Improvement on sodium-water reaction (SWR) jet code (LEAP-JET ver.1.30) and application analysis to the water injection tests for confirmation of code propriety were performed. On the improvement of the code, a gas-liquid interface area density model was introduced to develop a chemical reaction model with a little dependence on calculation mesh size. The test calculation using the improved code (LEAP-JET ver.1.40) were carried out with conditions of the SWAT-3·Run-19 test and an actual scale SG. It is confirmed that the SWR jet behavior on the results and the influence to analysis result of a model are reasonable. For the application analysis to the water injection tests, water injection behavior and SWR jet behavior analyses on the new SWAT-1 (SWAT-1R) and SWAT-3 (SWAT-3R) tests were performed using the LEAP-BLOW code and the LEAP-JET code. In the application analysis of the LEAP-BLOW code, parameter survey study was performed. As the results, the condition of the injection nozzle diameter needed to simulate the water leak rate was confirmed. In the application analysis of the LEAP-JET code, temperature behavior of the SWR jet was investigated. (author)

  1. A generic method for automatic translation between input models for different versions of simulation codes

    International Nuclear Information System (INIS)

    Serfontein, Dawid E.; Mulder, Eben J.; Reitsma, Frederik

    2014-01-01

    A computer code was developed for the semi-automatic translation of input models for the VSOP-A diffusion neutronics simulation code to the format of the newer VSOP 99/05 code. In this paper, this algorithm is presented as a generic method for producing codes for the automatic translation of input models from the format of one code version to another, or even to that of a completely different code. Normally, such translations are done manually. However, input model files, such as for the VSOP codes, often are very large and may consist of many thousands of numeric entries that make no particular sense to the human eye. Therefore the task, of for instance nuclear regulators, to verify the accuracy of such translated files can be very difficult and cumbersome. This may cause translation errors not to be picked up, which may have disastrous consequences later on when a reactor with such a faulty design is built. Therefore a generic algorithm for producing such automatic translation codes may ease the translation and verification process to a great extent. It will also remove human error from the process, which may significantly enhance the accuracy and reliability of the process. The developed algorithm also automatically creates a verification log file which permanently record the names and values of each variable used, as well as the list of meanings of all the possible values. This should greatly facilitate reactor licensing applications

  2. A generic method for automatic translation between input models for different versions of simulation codes

    Energy Technology Data Exchange (ETDEWEB)

    Serfontein, Dawid E., E-mail: Dawid.Serfontein@nwu.ac.za [School of Mechanical and Nuclear Engineering, North West University (PUK-Campus), PRIVATE BAG X6001 (Internal Post Box 360), Potchefstroom 2520 (South Africa); Mulder, Eben J. [School of Mechanical and Nuclear Engineering, North West University (South Africa); Reitsma, Frederik [Calvera Consultants (South Africa)

    2014-05-01

    A computer code was developed for the semi-automatic translation of input models for the VSOP-A diffusion neutronics simulation code to the format of the newer VSOP 99/05 code. In this paper, this algorithm is presented as a generic method for producing codes for the automatic translation of input models from the format of one code version to another, or even to that of a completely different code. Normally, such translations are done manually. However, input model files, such as for the VSOP codes, often are very large and may consist of many thousands of numeric entries that make no particular sense to the human eye. Therefore the task, of for instance nuclear regulators, to verify the accuracy of such translated files can be very difficult and cumbersome. This may cause translation errors not to be picked up, which may have disastrous consequences later on when a reactor with such a faulty design is built. Therefore a generic algorithm for producing such automatic translation codes may ease the translation and verification process to a great extent. It will also remove human error from the process, which may significantly enhance the accuracy and reliability of the process. The developed algorithm also automatically creates a verification log file which permanently record the names and values of each variable used, as well as the list of meanings of all the possible values. This should greatly facilitate reactor licensing applications.

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

    International Nuclear Information System (INIS)

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

    2010-01-01

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

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

    Science.gov (United States)

    Magalhães, Lucíola Alves; Souza Filho, Carlos Roberto

    2012-03-01

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

  5. Geochemical Investigations of Groundwater Stability

    International Nuclear Information System (INIS)

    Bath, Adrian

    2006-05-01

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

  6. Geochemical Investigations of Groundwater Stability

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-05-15

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

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

    Directory of Open Access Journals (Sweden)

    Hongzhong Li

    2014-01-01

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

  8. Development of seismic analysis model for HTGR core on commercial FEM code

    International Nuclear Information System (INIS)

    Tsuji, Nobumasa; Ohashi, Kazutaka

    2015-01-01

    The aftermath of the Great East Japan Earthquake prods to revise the design basis earthquake intensity severely. In aseismic design of block-type HTGR, the securement of structural integrity of core blocks and other structures which are made of graphite become more important. For the aseismic design of block-type HTGR, it is necessary to predict the motion of core blocks which are collided with adjacent blocks. Some seismic analysis codes have been developed in 1970s, but these codes are special purpose-built codes and have poor collaboration with other structural analysis code. We develop the vertical 2 dimensional analytical model on multi-purpose commercial FEM code, which take into account the multiple impacts and friction between block interfaces and rocking motion on contact with dowel pins of the HTGR core by using contact elements. This model is verified by comparison with the experimental results of 12 column vertical slice vibration test. (author)

  9. Turbine Internal and Film Cooling Modeling For 3D Navier-Stokes Codes

    Science.gov (United States)

    DeWitt, Kenneth; Garg Vijay; Ameri, Ali

    2005-01-01

    The aim of this research project is to make use of NASA Glenn on-site computational facilities in order to develop, validate and apply aerodynamic, heat transfer, and turbine cooling models for use in advanced 3D Navier-Stokes Computational Fluid Dynamics (CFD) codes such as the Glenn-" code. Specific areas of effort include: Application of the Glenn-HT code to specific configurations made available under Turbine Based Combined Cycle (TBCC), and Ultra Efficient Engine Technology (UEET) projects. Validating the use of a multi-block code for the time accurate computation of the detailed flow and heat transfer of cooled turbine airfoils. The goal of the current research is to improve the predictive ability of the Glenn-HT code. This will enable one to design more efficient turbine components for both aviation and power generation. The models will be tested against specific configurations provided by NASA Glenn.

  10. Light water reactor fuel analysis code FEMAXI-7; model and structure

    International Nuclear Information System (INIS)

    Suzuki, Motoe; Udagawa, Yutaka; Saitou, Hiroaki

    2011-03-01

    A light water reactor fuel analysis code FEMAXI-7 has been developed for the purpose of analyzing the fuel behavior in both normal conditions and anticipated transient conditions. This code is an advanced version which has been produced by incorporating the former version FEMAXI-6 with numerous functional improvements and extensions. In FEMAXI-7, many new models have been added and parameters have been clearly arranged. Also, to facilitate effective maintenance and accessibility of the code, modularization of subroutines and functions have been attained, and quality comment descriptions of variables or physical quantities have been incorporated in the source code. With these advancements, the FEMAXI-7 code has been upgraded to a versatile analytical tool for high burnup fuel behavior analyses. This report describes in detail the design, basic theory and structure, models and numerical method, and improvements and extensions. (author)

  11. Light water reactor fuel analysis code FEMAXI-7. Model and structure

    International Nuclear Information System (INIS)

    Suzuki, Motoe; Udagawa, Yutaka; Nagase, Fumihisa; Saitou, Hiroaki

    2013-07-01

    A light water reactor fuel analysis code FEMAXI-7 has been developed for the purpose of analyzing the fuel behavior in both normal conditions and anticipated transient conditions. This code is an advanced version which has been produced by incorporating the former version FEMAXI-6 with numerous functional improvements and extensions. In FEMAXI-7, many new models have been added and parameters have been clearly arranged. Also, to facilitate effective maintenance and accessibility of the code, modularization of subroutines and functions have been attained, and quality comment descriptions of variables or physical quantities have been incorporated in the source code. With these advancements, the FEMAXI-7 code has been upgraded to a versatile analytical tool for high burnup fuel behavior analyses. This report describes in detail the design, basic theory and structure, models and numerical method of FEMAXI-7, and its improvements and extensions. (author)

  12. Modeling of solution renewal with the Kindis code: example of R7T7 glass dissolution at 90 deg C

    International Nuclear Information System (INIS)

    Advocat, T.; Vernaz, E.; Crovisier, J.L.; Clement, A.; Gerard, F.

    1994-01-01

    The deep underground environment that would correspond to a geological repository is a system open to fluid flow. It is therefore necessary to investigate the effects of solution renewal on the long-term behavior of glass in contact with water. These effects can now be simulated using the new version of the geochemical KINDIS model (thermodynamic and kinetic model). We tested the model at 90 deg C with an SA/V ratio of 400 m -1 at twelve renewal rates of pure water ranging from 200 to 0 vol% per day. With renewal rates between 200 and 0.065 vol% per day, steady-state conditions were obtained in the reaction system: i.e. the glass corrosion rate remained constant as did the concentrations of the dissolved species in solution (although at different values depending on the renewal rate). The ionic strength never exceeded 1 (the validity limit for the DEBYE-HUCKEL law) and long term predictions of the dissolved glass mass, the solution composition and the potential secondary mineral sequence are possible. For simulated renewal rates of less than 0.065 vol% per day (27% per year), the ionic strength rose above 1 (as in a closed system) before steady-state conditions were reached, making it critical to calculate long-term rates; A constant and empirical long-term rate, derived from laboratory measurement, have to be extrapolated. These calculations were based on a first order equation to describe the glass dissolution kinetic. The results obtained with the KINDIS code show discrepancies with some major experimental kinetic data (the long term rate must decrease with the ''glass-water'' reaction progress, under silica saturation conditions). This clearly indicates that a more refine kinetic relation is needed for the glass matrix. (authors). 16 refs., 4 figs., 4 tabs

  13. Context discovery using attenuated Bloom codes: model description and validation

    NARCIS (Netherlands)

    Liu, F.; Heijenk, Geert

    A novel approach to performing context discovery in ad-hoc networks based on the use of attenuated Bloom filters is proposed in this report. In order to investigate the performance of this approach, a model has been developed. This document describes the model and its validation. The model has been

  14. Intercept Centering and Time Coding in Latent Difference Score Models

    Science.gov (United States)

    Grimm, Kevin J.

    2012-01-01

    Latent difference score (LDS) models combine benefits derived from autoregressive and latent growth curve models allowing for time-dependent influences and systematic change. The specification and descriptions of LDS models include an initial level of ability or trait plus an accumulation of changes. A limitation of this specification is that the…

  15. Atmospheric radiative transfer modeling: a summary of the AER codes

    Energy Technology Data Exchange (ETDEWEB)

    Clough, S.A. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States); Shephard, M.W. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States)]. E-mail: mshephar@aer.com; Mlawer, E.J. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States); Delamere, J.S. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States); Iacono, M.J. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States); Cady-Pereira, K. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States); Boukabara, S. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States); Brown, P.D. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States)

    2005-03-01

    The radiative transfer models developed at AER are being used extensively for a wide range of applications in the atmospheric sciences. This communication is intended to provide a coh