User's guide to revised method-of-characteristics solute-transport model (MOC--version 31)
Konikow, Leonard F.; Granato, G.E.; Hornberger, G.Z.
1994-01-01
The U.S. Geological Survey computer model to simulate two-dimensional solute transport and dispersion in ground water (Konikow and Bredehoeft, 1978; Goode and Konikow, 1989) has been modified to improve management of input and output data and to provide progressive run-time information. All opening and closing of files are now done automatically by the program. Names of input data files are entered either interactively or using a batch-mode script file. Names of output files, created automatically by the program, are based on the name of the input file. In the interactive mode, messages are written to the screen during execution to allow the user to monitor the status and progress of the simulation and to anticipate total running time. Information reported and updated during a simulation include the current pumping period and time step, number of particle moves, and percentage completion of the current time step. The batch mode enables a user to run a series of simulations consecutively, without additional control. A report of the model's activity in the batch mode is written to a separate output file, allowing later review. The user has several options for creating separate output files for different types of data. The formats are compatible with many commercially available applications, which facilitates graphical postprocessing of model results. Geohydrology and Evaluation of Stream-Aquifer Relations in the Apalachicola-Chattahoochee-Flint River Basin, Southeastern Alabama, Northwestern Florida, and Southwestern Georgia By Lynn J. Torak, Gary S. Davis, George A. Strain, and Jennifer G. Herndon Abstract The lower Apalachieola-Chattahoochec-Flint River Basin is underlain by Coastal Plain sediments of pre-Cretaceous to Quaternary age consisting of alternating units of sand, clay, sandstone, dolomite, and limestone that gradually thicken and dip gently to the southeast. The stream-aquifer system consism of carbonate (limestone and dolomite) and elastic sediments
Kulasiri, Don
2002-01-01
Most of the natural and biological phenomena such as solute transport in porous media exhibit variability which can not be modeled by using deterministic approaches. There is evidence in natural phenomena to suggest that some of the observations can not be explained by using the models which give deterministic solutions. Stochastic processes have a rich repository of objects which can be used to express the randomness inherent in the system and the evolution of the system over time. The attractiveness of the stochastic differential equations (SDE) and stochastic partial differential equations (SPDE) come from the fact that we can integrate the variability of the system along with the scientific knowledge pertaining to the system. One of the aims of this book is to explaim some useufl concepts in stochastic dynamics so that the scientists and engineers with a background in undergraduate differential calculus could appreciate the applicability and appropriateness of these developments in mathematics. The ideas ...
Mathematical modeling of solute transport in the subsurface
International Nuclear Information System (INIS)
Naymik, T.G.
1987-01-01
A review of key works on solute transport models indicates that solute transport processes with the exception of advection are still poorly understood. Solute transport models generally do a good job when they are used to test scientific concepts and hypotheses, investigate natural processes, systematically store and manage data, and simulate mass balance of solutes under certain natural conditions. Solute transport models generally are not good for predicting future conditions with a high degree of certainty, or for determining concentrations precisely. The mathematical treatment of solute transport far surpasses their understanding of the process. Investigations of the extent of groundwater contamination and methods to remedy existing problems show the along-term nature of the hazard. Industrial organic compounds may be immiscible in water, highly volatile, or complexed with inorganic as well as other organic compounds; many remain stable in nature almost indefinitely. In the worst case, future disposal of hazardous waste may be restricted to deep burial, as is proposed for radioactive wastes. For investigations pertinent to transport of radionuclides from a geologic repository, the process cannot be fully understood without adequate thermodynamic and kinetic data bases
A quasilinear model for solute transport under unsaturated flow
International Nuclear Information System (INIS)
Houseworth, J.E.; Leem, J.
2009-01-01
We developed an analytical solution for solute transport under steady-state, two-dimensional, unsaturated flow and transport conditions for the investigation of high-level radioactive waste disposal. The two-dimensional, unsaturated flow problem is treated using the quasilinear flow method for a system with homogeneous material properties. Dispersion is modeled as isotropic and is proportional to the effective hydraulic conductivity. This leads to a quasilinear form for the transport problem in terms of a scalar potential that is analogous to the Kirchhoff potential for quasilinear flow. The solutions for both flow and transport scalar potentials take the form of Fourier series. The particular solution given here is for two sources of flow, with one source containing a dissolved solute. The solution method may easily be extended, however, for any combination of flow and solute sources under steady-state conditions. The analytical results for multidimensional solute transport problems, which previously could only be solved numerically, also offer an additional way to benchmark numerical solutions. An analytical solution for two-dimensional, steady-state solute transport under unsaturated flow conditions is presented. A specific case with two sources is solved but may be generalized to any combination of sources. The analytical results complement numerical solutions, which were previously required to solve this class of problems.
Coupling between solute transport and chemical reactions models
International Nuclear Information System (INIS)
Samper, J.; Ajora, C.
1993-01-01
During subsurface transport, reactive solutes are subject to a variety of hydrodynamic and chemical processes. The major hydrodynamic processes include advection and convection, dispersion and diffusion. The key chemical processes are complexation including hydrolysis and acid-base reactions, dissolution-precipitation, reduction-oxidation, adsorption and ion exchange. The combined effects of all these processes on solute transport must satisfy the principle of conservation of mass. The statement of conservation of mass for N mobile species leads to N partial differential equations. Traditional solute transport models often incorporate the effects of hydrodynamic processes rigorously but oversimplify chemical interactions among aqueous species. Sophisticated chemical equilibrium models, on the other hand, incorporate a variety of chemical processes but generally assume no-flow systems. In the past decade, coupled models accounting for complex hydrological and chemical processes, with varying degrees of sophistication, have been developed. The existing models of reactive transport employ two basic sets of equations. The transport of solutes is described by a set of partial differential equations, and the chemical processes, under the assumption of equilibrium, are described by a set of nonlinear algebraic equations. An important consideration in any approach is the choice of primary dependent variables. Most existing models cannot account for the complete set of chemical processes, cannot be easily extended to include mixed chemical equilibria and kinetics, and cannot handle practical two and three dimensional problems. The difficulties arise mainly from improper selection of the primary variables in the transport equations. (Author) 38 refs
The secret to successful solute-transport modeling
Konikow, Leonard F.
2011-01-01
Modeling subsurface solute transport is difﬁcult—more so than modeling heads and ﬂows. The classical governing equation does not always adequately represent what we see at the ﬁeld scale. In such cases, commonly used numerical models are solving the wrong equation. Also, the transport equation is hyperbolic where advection is dominant, and parabolic where hydrodynamic dispersion is dominant. No single numerical method works well for all conditions, and for any given complex ﬁeld problem, where seepage velocity is highly variable, no one method will be optimal everywhere. Although we normally expect a numerically accurate solution to the governing groundwater-ﬂow equation, errors in concentrations from numerical dispersion and/or oscillations may be large in some cases. The accuracy and efﬁciency of the numerical solution to the solute-transport equation are more sensitive to the numerical method chosen than for typical groundwater-ﬂow problems. However, numerical errors can be kept within acceptable limits if sufﬁcient computational effort is expended. But impractically long
Solute transport modelling with the variable temporally dependent ...
Indian Academy of Sciences (India)
Pintu Das
2018-02-07
Feb 7, 2018 ... in a finite domain with time-dependent sources and dis- tance-dependent dispersivities. Also, existing ... solute transport in multi-layered porous media using gen- eralized integral transform technique with .... methods for solving the fractional reaction-–sub-diffusion equation. To solve numerically the Eqs.
Mathematical modeling of fluid and solute transport in peritoneal dialysis
Waniewski, Jacek
2001-01-01
Optimization of peritoneal dialysis schedule and dialysis fluid composition needs, among others, methods for quantitative assessment of fluid and solute transport. Furthermore, an integrative quantitative description of physiological processes within the tissue, which contribute to the net transfer of fluid and solutes, is necessary for interpretation of the data and for predictions of the outcome of possible intervention into the peritoneal transport system. The current pro...
Applications of stochastic models to solute transport in fractured rocks
International Nuclear Information System (INIS)
Gelhar, L.W.
1987-01-01
A stochastic theory for flow and solute transport in a single variable aperture fracture bounded by sorbing porous matrix into which solutes may diffuse, is developed using a perturbation approximation and spectral solution techniques which assume local statistical homogeneity. The theory predicts that the effective aperture of the fracture for mean solute displacement will be larger than the aperture required to calculate the large-scale flow resistance of the fracture. This ratio of apertures is a function of the variance of the logarithm of the apertures. The theory also predicts the macrodispersion coefficient for large-scale transport in the fracture. The resulting macrodispersivity is proportional to the variance of the logaperture and to its correlation scale. When variable surface sorption is included, it is found that the macrodispersivity is increased significantly, in some cases more than an order of magnitude. It is also shown that the effective retardation coefficient for the sorptively heterogeneous fracture is found by simply taking the arithmetic mean of the local surface sorption coefficient. Matrix diffusion is also shown to increase the fracture macrodispesivity at very large times. A reexamination of the results of four different field tracer tests in crystalline rock in Sweden and Canada shows aperture ratios and dispersivities that are consistent with the stochastic theory. The variance of the natural logarithm of the aperture is found to be in the range of 3 to 6 and the correlation scales for logaperture ranges from .2 to 1.2 meters. Detailed recommendations for additional field investigations at scales ranging from a few meters up to a kilometer are presented. (orig.)
Ground-water solute transport modeling using a three-dimensional scaled model
International Nuclear Information System (INIS)
Crider, S.S.
1987-01-01
Scaled models are used extensively in current hydraulic research on sediment transport and solute dispersion in free surface flows (rivers, estuaries), but are neglected in current ground-water model research. Thus, an investigation was conducted to test the efficacy of a three-dimensional scaled model of solute transport in ground water. No previous results from such a model have been reported. Experiments performed on uniform scaled models indicated that some historical problems (e.g., construction and scaling difficulties; disproportionate capillary rise in model) were partly overcome by using simple model materials (sand, cement and water), by restricting model application to selective classes of problems, and by physically controlling the effect of the model capillary zone. Results from these tests were compared with mathematical models. Model scaling laws were derived for ground-water solute transport and used to build a three-dimensional scaled model of a ground-water tritium plume in a prototype aquifer on the Savannah River Plant near Aiken, South Carolina. Model results compared favorably with field data and with a numerical model. Scaled models are recommended as a useful additional tool for prediction of ground-water solute transport
Stochastic forward and inverse groundwater flow and solute transport modeling
Janssen, G.M.C.M.
2008-01-01
Keywords: calibration, inverse modeling, stochastic modeling, nonlinear biodegradation, stochastic-convective, advective-dispersive, travel time, network design, non-Gaussian distribution, multimodal distribution, representers
This thesis offers three new approaches that contribute
Abrams , Robert H.; Loague, Keith
2000-01-01
This paper, the first of two parts [see Abrams and Loague, this issue], takes the compartmentalized approach for the geochemical evolution of redox zones presented by Abrams et al. [1998] and embeds it within a solute transport framework. In this paper the compartmentalized approach is generalized to facilitate the description of its incorporation into a solute transport simulator. An equivalent formulation is developed which removes any discontinuities that may occur when switching compartments. Rate‐limited redox reactions are modeled with a modified Monod relationship that allows either the organic substrate or the electron acceptor to be the rate‐limiting reactant. Thermodynamic constraints are used to inhibit lower‐energy redox reactions from occurring under infeasible geochemical conditions without imposing equilibrium on the lower‐energy reactions. The procedure used allows any redox reaction to be simulated as being kinetically limited or thermodynamically limited, depending on local geochemical conditions. Empirical reaction inhibition methods are not needed. The sequential iteration approach (SIA), a technique which allows the number of solute transport equations to be reduced, is adopted to solve the coupled geochemical/solute transport problem. When the compartmentalized approach is embedded within the SIA, with the total analytical concentration of each component as the dependent variable in the transport equation, it is possible to reduce the number of transport equations even further than with the unmodified SIA. A one‐dimensional, coupled geochemical/solute transport simulation is presented in which redox zones evolve dynamically in time and space. The compartmentalized solute transport (COMPTRAN) model described in this paper enables the development of redox zones to be simulated under both kinetic and thermodynamic constraints. The modular design of COMPTRAN facilitates the use of many different, preexisting solute transport and
Stochastic models of solute transport in highly heterogeneous geologic media
Energy Technology Data Exchange (ETDEWEB)
Semenov, V.N.; Korotkin, I.A.; Pruess, K.; Goloviznin, V.M.; Sorokovikova, O.S.
2009-09-15
A stochastic model of anomalous diffusion was developed in which transport occurs by random motion of Brownian particles, described by distribution functions of random displacements with heavy (power-law) tails. One variant of an effective algorithm for random function generation with a power-law asymptotic and arbitrary factor of asymmetry is proposed that is based on the Gnedenko-Levy limit theorem and makes it possible to reproduce all known Levy {alpha}-stable fractal processes. A two-dimensional stochastic random walk algorithm has been developed that approximates anomalous diffusion with streamline-dependent and space-dependent parameters. The motivation for introducing such a type of dispersion model is the observed fact that tracers in natural aquifers spread at different super-Fickian rates in different directions. For this and other important cases, stochastic random walk models are the only known way to solve the so-called multiscaling fractional order diffusion equation with space-dependent parameters. Some comparisons of model results and field experiments are presented.
Demonstrations in Solute Transport Using Dyes: Part II. Modeling.
Butters, Greg; Bandaranayake, Wije
1993-01-01
A solution of the convection-dispersion equation is used to describe the solute breakthrough curves generated in the demonstrations in the companion paper. Estimation of the best fit model parameters (solute velocity, dispersion, and retardation) is illustrated using the method of moments for an example data set. (Author/MDH)
Solute transport model for radioisotopes in layered soil
International Nuclear Information System (INIS)
Essel, P.
2010-01-01
The study considered the transport of a radioactive solute in solution from the surface of the earth down through the soil to the ground water when there is an accidental or intentional spillage of a radioactive material on the surface. The finite difference method was used to model the spatial and temporal profile of moisture content in a soil column using the θ-based Richard's equation leading to solution of the convective-dispersive equation for non-adsorbing solutes numerically. A matlab code has been generated to predict the transport of the radioactive contaminant, spilled on the surface of a vertically heterogeneous soil made up of two layers to determine the residence time of the solute in the unsaturated zone, the time it takes the contaminant to reach the groundwater and the amount of the solute entering the groundwater in various times and the levels of pollution in those times. The model predicted that, then there is a spillage of 7.2g of tritium, on the surface of the ground at the study area, it will take two years for the radionuclide to enter the groundwater and fifteen years to totally leave the unsaturated zone. There is therefore the need to try as much as possible to avoid intentional or accidental spillage of the radionuclide since it has long term effect. (au)
Winston, Richard B.; Konikow, Leonard F.; Hornberger, George Z.
2018-02-16
In the traditional method of characteristics for groundwater solute-transport models, advective transport is represented by moving particles that track concentration. This approach can lead to global mass-balance problems because in models of aquifers having complex boundary conditions and heterogeneous properties, particles can originate in cells having different pore volumes and (or) be introduced (or removed) at cells representing fluid sources (or sinks) of varying strengths. Use of volume-weighted particles means that each particle tracks solute mass. In source or sink cells, the changes in particle weights will match the volume of water added or removed through external fluxes. This enables the new method to conserve mass in source or sink cells as well as globally. This approach also leads to potential efficiencies by allowing the number of particles per cell to vary spatially—using more particles where concentration gradients are high and fewer where gradients are low. The approach also eliminates the need for the model user to have to distinguish between “weak” and “strong” fluid source (or sink) cells. The new model determines whether solute mass added by fluid sources in a cell should be represented by (1) new particles having weights representing appropriate fractions of the volume of water added by the source, or (2) distributing the solute mass added over all particles already in the source cell. The first option is more appropriate for the condition of a strong source; the latter option is more appropriate for a weak source. At sinks, decisions whether or not to remove a particle are replaced by a reduction in particle weight in proportion to the volume of water removed. A number of test cases demonstrate that the new method works well and conserves mass. The method is incorporated into a new version of the U.S. Geological Survey’s MODFLOW–GWT solute-transport model.
Modeling study of solute transport in the unsaturated zone. Information and data sets. Volume 1
International Nuclear Information System (INIS)
Polzer, W.L.; Fuentes, H.R.; Springer, E.P.; Nyhan, J.W.
1986-05-01
The Environmental Science Group (HSE-12) is conducting a study to compare various approaches of modeling water and solute transport in porous media. Various groups representing different approaches will model a common set of transport data so that the state of the art in modeling and field experimentation can be discussed in a positive framework with an assessment of current capabilities and future needs in this area of research. This paper provides information and sets of data that will be useful to the modelers in meeting the objectives of the modeling study. The information and data sets include: (1) a description of the experimental design and methods used in obtaining solute transport data, (2) supporting data that may be useful in modeling the data set of interest, and (3) the data set to be modeled
Energy Technology Data Exchange (ETDEWEB)
Park, Chung Kyun; Lee, Jaek Wang; Baik, Min Hoon; Jeong, Jong Tae [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)
2012-02-15
Migration tests were performed with conservative tracers in a fractured zone that had a single fracture of about 2.5 m distance at the KURT. To interpret the migration of the tracers in the fractured rock, a solute transport model was developed. A two dimensional variable aperture channel model was adopted to describe the fractured path and hydrology, and a particle tracking method was used for solute transport. The simulation tried not only to develop a migration model of solutes for open flow environments but also to produce ideas for a better understanding of solute behaviours in indefinable fracture zones by comparing them to experimental results. The results of our simulations and experiments are described as elution and breakthrough curves, and are quantified by momentum analysis. The main retardation mechanism of nonsorbing tracers, including matrixdiffusion, was investigated.
Modeling water flow and solute transport in unsaturated zone inside NSRAWD project
International Nuclear Information System (INIS)
Constantin, A.; Diaconu, D.; Bucur, C.; Genty, A.
2015-01-01
The NSRAWD project (2010-2013) - Numerical Simulations for Radioactive Waste Disposal was initiated under a collaboration agreement between the Institute for Nuclear Research and the French Alternative Energies and Atomic Energy Commission (CEA). The context of the project was favorable to combine the modeling activities with an experimental part in order to improve and validate the numerical models used so far to simulate water flow and solute transport at Saligny site, Romania. The numerical models developed in the project were refined and validated on new hydrological data gathered between 2010-2012 by a monitoring station existent on site which performs automatic determination of soil water content and matrix potential, as well as several climate parameters (wind, temperature and precipitations). Water flow and solute transport was modeled in transient conditions, by taking into consideration, as well as neglecting the evapotranspiration phenomenon, on the basis of a tracer test launched on site. The determination of dispersivities for solute transport was targeted from the solute plume. The paper presents the main results achieved in the NSRAWD project related to water flow and solute transport in the unsaturated area of the Saligny site. The results indicated satisfactory predictions for the simulation of water flow in the unsaturated area, in steady state and transient conditions. In the case of tracer transport modeling, dispersivity coefficients could not be finally well fitted for the data measured on site and in order to obtain a realistic preview over the values of these parameters, further investigations are recommended. The article is followed by the slides of the presentation
Composite Transport Model and Water and Solute Transport across Plant Roots: An Update
Directory of Open Access Journals (Sweden)
Yangmin X. Kim
2018-02-01
Full Text Available The present review examines recent experimental findings in root transport phenomena in terms of the composite transport model (CTM. It has been a well-accepted conceptual model to explain the complex water and solute flows across the root that has been related to the composite anatomical structure. There are three parallel pathways involved in the transport of water and solutes in roots – apoplast, symplast, and transcellular paths. The role of aquaporins (AQPs, which facilitate water flows through the transcellular path, and root apoplast is examined in terms of the CTM. The contribution of the plasma membrane bound AQPs for the overall water transport in the whole plant level was varying depending on the plant species, age of roots with varying developmental stages of apoplastic barriers, and driving forces (hydrostatic vs. osmotic. Many studies have demonstrated that the apoplastic barriers, such as Casparian bands in the primary anticlinal walls and suberin lamellae in the secondary cell walls, in the endo- and exodermis are not perfect barriers and unable to completely block the transport of water and some solute transport into the stele. Recent research on water and solute transport of roots with and without exodermis triggered the importance of the extension of conventional CTM adding resistances that arrange in series (epidermis, exodermis, mid-cortex, endodermis, and pericycle. The extension of the model may answer current questions about the applicability of CTM for composite water and solute transport of roots that contain complex anatomical structures with heterogeneous cell layers.
Composite Transport Model and Water and Solute Transport across Plant Roots: An Update.
Kim, Yangmin X; Ranathunge, Kosala; Lee, Seulbi; Lee, Yejin; Lee, Deogbae; Sung, Jwakyung
2018-01-01
The present review examines recent experimental findings in root transport phenomena in terms of the composite transport model (CTM). It has been a well-accepted conceptual model to explain the complex water and solute flows across the root that has been related to the composite anatomical structure. There are three parallel pathways involved in the transport of water and solutes in roots - apoplast, symplast, and transcellular paths. The role of aquaporins (AQPs), which facilitate water flows through the transcellular path, and root apoplast is examined in terms of the CTM. The contribution of the plasma membrane bound AQPs for the overall water transport in the whole plant level was varying depending on the plant species, age of roots with varying developmental stages of apoplastic barriers, and driving forces (hydrostatic vs. osmotic). Many studies have demonstrated that the apoplastic barriers, such as Casparian bands in the primary anticlinal walls and suberin lamellae in the secondary cell walls, in the endo- and exodermis are not perfect barriers and unable to completely block the transport of water and some solute transport into the stele. Recent research on water and solute transport of roots with and without exodermis triggered the importance of the extension of conventional CTM adding resistances that arrange in series (epidermis, exodermis, mid-cortex, endodermis, and pericycle). The extension of the model may answer current questions about the applicability of CTM for composite water and solute transport of roots that contain complex anatomical structures with heterogeneous cell layers.
Regional flow and solute transport modeling for site suitability. Part I
International Nuclear Information System (INIS)
Rowe, J.; Miller, I.
1979-12-01
The nature of regional flow systems in large sedimentary basins will largely determine the effectiveness of regional flow as a barrier to radionuclide escape from deep geologic repositories. The purpose of the work reported herein and the proposed future work is to develop a methodology for evaluating regional flow barriers by using numerical models. The Williston Basin was chosen as an archetype case for the regional modeling study. However, due to the simplified nature of the study, the results are not meant to represent the behavior of a repository actually placed within the Williston Basin. The major components of this Phase I study are: (1) assembly and reduction of available data; (2) formulation of a simplified geohydrologic model; (3) computer simulation of fluid flow; and (4) computer simulation of solute transport. As of this report, the first two items are essentially completed. Computer simulation of fluid flow will require some revision and further study, which will be done in the second phase of this study. Computer simulation of solute transport has been considered only on a very preliminary basis. Important conclusions of this Phase I study are as follows. Assembly and reduction of data require an extensive work effort. Generally, the parameters describing fluid flow are poorly known on a regional basis and those describing solute transport are unknown
Regional flow and solute transport modeling for site suitability. Part I
Energy Technology Data Exchange (ETDEWEB)
Rowe, J.; Miller, I.
1979-12-01
The nature of regional flow systems in large sedimentary basins will largely determine the effectiveness of regional flow as a barrier to radionuclide escape from deep geologic repositories. The purpose of the work reported herein and the proposed future work is to develop a methodology for evaluating regional flow barriers by using numerical models. The Williston Basin was chosen as an archetype case for the regional modeling study. However, due to the simplified nature of the study, the results are not meant to represent the behavior of a repository actually placed within the Williston Basin. The major components of this Phase I study are: (1) assembly and reduction of available data; (2) formulation of a simplified geohydrologic model; (3) computer simulation of fluid flow; and (4) computer simulation of solute transport. As of this report, the first two items are essentially completed. Computer simulation of fluid flow will require some revision and further study, which will be done in the second phase of this study. Computer simulation of solute transport has been considered only on a very preliminary basis. Important conclusions of this Phase I study are as follows. Assembly and reduction of data require an extensive work effort. Generally, the parameters describing fluid flow are poorly known on a regional basis and those describing solute transport are unknown.
Energy Technology Data Exchange (ETDEWEB)
Xu, Zhijie; Tartakovsky, Alexandre M.
2017-09-01
This work presents a hierarchical model for solute transport in bounded layered porous media with random permeability. The model generalizes the Taylor-Aris dispersion theory to stochastic transport in random layered porous media with a known velocity covariance function. In the hierarchical model, we represent (random) concentration in terms of its cross-sectional average and a variation function. We derive a one-dimensional stochastic advection-dispersion-type equation for the average concentration and a stochastic Poisson equation for the variation function, as well as expressions for the effective velocity and dispersion coefficient. We observe that velocity fluctuations enhance dispersion in a non-monotonic fashion: the dispersion initially increases with correlation length λ, reaches a maximum, and decreases to zero at infinity. Maximum enhancement can be obtained at the correlation length about 0.25 the size of the porous media perpendicular to flow.
A lattice Boltzmann model for solute transport in open channel flow
Wang, Hongda; Cater, John; Liu, Haifei; Ding, Xiangyi; Huang, Wei
2018-01-01
A lattice Boltzmann model of advection-dispersion problems in one-dimensional (1D) open channel flows is developed for simulation of solute transport and pollutant concentration. The hydrodynamics are calculated based on a previous lattice Boltzmann approach to solving the 1D Saint-Venant equations (LABSVE). The advection-dispersion model is coupled with the LABSVE using the lattice Boltzmann method. Our research recovers the advection-dispersion equations through the Chapman-Enskog expansion of the lattice Boltzmann equation. The model differs from the existing schemes in two points: (1) the lattice Boltzmann numerical method is adopted to solve the advection-dispersion problem by meso-scopic particle distribution; (2) and the model describes the relation between discharge, cross section area and solute concentration, which increases the applicability of the water quality model in practical engineering. The model is verified using three benchmark tests: (1) instantaneous solute transport within a short distance; (2) 1D point source pollution with constant velocity; (3) 1D point source pollution in a dam break flow. The model is then applied to a 50-year flood point source pollution accident on the Yongding River, which showed good agreement with a MIKE 11 solution and gauging data.
Groundwater and solute transport modeling at Hyporheic zone of upper part Citarum River
Iskandar, Irwan; Farazi, Hendy; Fadhilah, Rahmat; Purnandi, Cipto; Notosiswoyo, Sudarto
2017-06-01
Groundwater and surface water interaction is an interesting topic to be studied related to the water resources and environmental studies. The study of interaction between groundwater and river water at the Upper Part Citarum River aims to know the contribution of groundwater to the river or reversely and also solute transport of dissolved ions between them. Analysis of drill logs, vertical electrical sounding at the selected sections, measurement of dissolved ions, and groundwater modeling were applied to determine the flow and solute transport phenomena at the hyporheic zone. It showed the hyporheic zone dominated by silt and clay with hydraulic conductivity range from 10-4∼10-8 m/s. The groundwater flowing into the river with very low gradient and it shows that the Citarum River is a gaining stream. The groundwater modeling shows direct seepage of groundwater into the Citarum River is only 186 l/s, very small compared to the total discharge of the river. Total dissolved ions of the groundwater ranged from 200 to 480 ppm while the river water range from 200 to 2,000 ppm. Based on solute transport modeling it indicates dissolved ions dispersion of the Citarum River into groundwater may occur in some areas such as Bojongsoang-Dayeuh Kolot and Nanjung. This situation would increase the dissolved ions in groundwater in the region due to the contribution of the Citarum River. The results of the research can be a reference for further studies related to the mechanism of transport of the pollutants in the groundwater around the Citarum River.
Modeling foam delivery mechanisms in deep vadose-zone remediation using method of characteristics
International Nuclear Information System (INIS)
Roostapour, A.; Kam, S.I.
2012-01-01
Highlights: ► A new mathematical framework established for vadose-zone foam remediation. ► Graphical solutions presented by Method of Characteristics quantitatively. ► Effects of design parameters in the field applications thoroughly investigated. ► Implication of modeling study for successful field treatment discussed. - Abstract: This study investigates foam delivery mechanisms in vadose-zone remediation by using Method of Characteristics (MoC), a mathematical tool long been used for the analysis of miscible and immiscible flooding in porous media in petroleum industry. MoC converts the governing material-balance partial differential equations into a series of ordinary differential equations, and the resulting solutions are in a form of wave propagation (more specifically, for chemical species and phase saturations) through the system as a function of time and space. Deep vadose-zone remediation has special features compared to other conventional remediation applications. They include, not limited to, a high level of heterogeneity, a very dry initial condition with low water saturation (S w ), pollutants such as metals and radionuclides fully dissolved in groundwater, and a serious concern about downward migration during the remediation treatments. For the vadose-zone remediation processes to be successful, the injected aqueous phase should carry chemicals to react with pollutants and precipitate them for immobilization and stabilization purposes. As a result, foams are believed to be an effective means, and understanding foam flow mechanism in situ is a key to the optimal design of field applications. Results show that foam delivery mechanism is indeed very complicated, making the optimum injection condition field-specific. The five major parameters selected (i.e., initial saturation of the medium, injection foam quality, surfactant adsorption, foam strength, and foam stability) are shown to be all important, interacting with each other. Results also
Modeling study of solute transport in the unsaturated zone: Workshop proceedings
International Nuclear Information System (INIS)
Springer, E.P.; Fuentes, H.R.
1987-04-01
Issues addressed were the adequacy of the data for the various models, effectiveness of the models to represent the data, particular information provided by the models, the role of caisson experiments in providing fundamental knowledge of porous-media water flow and solute transport, and the importance of geochemistry to the transport of nonconservative tracers. These proceedings include the presentations made by each of the modelers; the summary document written by the panel; and a transcript of the discussions, both the discussions that followed individual presentations and the general discussion held on the second day. This publication completes the series on the workshop. Volume I in the series (NUREG/CR-4615, Vol. I) contains background information and the data sets provided each modeler
International Nuclear Information System (INIS)
Kwong, S.; Jivkov, A.P.
2013-01-01
Deep geologic disposal of high activity and long-lived radioactive waste is being actively considered and pursued in many countries, where low permeability geological formations are used to provide long term waste contaminant with minimum impact to the environment and risk to the biosphere. A multi-barrier approach that makes use of both engineered and natural barriers (i.e. geological formations) is often used to further enhance the containment performance of the repository. As the deep repository system subjects to a variety of thermo-hydro-chemo-mechanical (THCM) effects over its long 'operational' lifespan (e.g. 0.1 to 1.0 million years, the integrity of the barrier system will decrease over time (e.g. fracturing in rock or clay)). This is broadly referred as media degradation in the present study. This modelling study examines the effects of media degradation on diffusion dominant solute transport in fractured media that are typical of deep geological environment. In particular, reactive solute transport through fractured media is studied using a 2-D model, that considers advection and diffusion, to explore the coupled effects of kinetic and equilibrium chemical processes, while the effects of degradation is studied using a pore network model that considers the media diffusivity and network changes. Model results are presented to demonstrate the use of a 3D pore-network model, using a novel architecture, to calculate macroscopic properties of the medium such as diffusivity, subject to pore space changes as the media degrade. Results from a reactive transport model of a representative geological waste disposal package are also presented to demonstrate the effect of media property change on the solute migration behaviour, illustrating the complex interplay between kinetic biogeochemical processes and diffusion dominant transport. The initial modelling results demonstrate the feasibility of a coupled modelling approach (using pore-network model and reactive
Coupled Fluid, Energy, and Solute Transport (CFEST) model: Formulation and user's manual
International Nuclear Information System (INIS)
Gupta, S.K.; Cole, C.R.; Kincaid, C.T.; Monti, A.M.
1987-10-01
The CFEST (Coupled Fluid, Energy, and Solute Transport) code has been developed to analyze coupled hydrologic, thermal, and solute transport processes. It treats single-pahse Darcy ground-water flow in a horizontal or vertical plane, or in fully three-dimensional space under nonisothermal conditions. The code has the capability to model discontinuous and continuous layering, time-dependent and constant sources/sinks, and transient as well as steady-stae ground-water flow. The code offers a wide choice of boundary conditions such as precsribed heads, nodal injection or withdrawal, constant or spatially varying infiltration rates, and welemental source/sink. Initial conditions for the flow analysis can be prescribed pressure or hydraulic head. The heterogeneity in aquifer permeability and porosity can be described by geologic unit or explicity for given elements. Three-dimensional elelments are generated from user-defined well logs at each surface node. To facilitate interaction between disciplines, support programs are provided to plot the finite element grid, well logs, contour maps of input and output parameters, and vertical cross sections. Ground-water travel paths and times and volumetric rates from a specified point can be determined from support programs. This report includes governing partial differential equations, finite element formulation, a use's manual, verification test examples, sample problems, and source listings. 36 refs., 121 figs., 36 tabs
Energy Technology Data Exchange (ETDEWEB)
Kwong, S. [National Nuclear Laboratory (United Kingdom); Jivkov, A.P. [Research Centre for Radwaste and Decommissioning and Modelling and Simulation Centre, University of Manchester (United Kingdom)
2012-07-01
Deep geologic disposal of high activity and long-lived radioactive waste is gaining increasing support in many countries, where suitable low permeability geological formation in combination with engineered barriers are used to provide long term waste contaminant and minimise the impacts to the environment and risk to the biosphere. This modelling study examines the solute transport in fractured media under low flow velocities that are relevant to a deep geological environment. In particular, reactive solute transport through fractured media is studied using a 2-D model, that considers advection and diffusion, to explore the coupled effects of kinetic and equilibrium chemical processes. The effects of water velocity in the fracture, matrix porosity and diffusion on solute transport are investigated and discussed. Some illustrative modelled results are presented to demonstrate the use of the model to examine the effects of media degradation on solute transport, under the influences of hydrogeological (diffusion dominant) and microbially mediated chemical processes. The challenges facing the prediction of long term degradation such as cracks evolution, interaction and coalescence are highlighted. The potential of a novel microstructure informed modelling approach to account for these effects is discussed, particularly with respect to investigating multiple phenomena impact on material performance. The GRM code is used to examine the effects of media degradation for a geological waste disposal package, under the combined hydrogeological (diffusion dominant) and chemical effects in low groundwater flow conditions that are typical of deep geological disposal systems. An illustrative reactive transport modelling application demonstrates the use of the code to examine the interplay of kinetic controlled biogeochemical reactive processes with advective and diffusive transport, under the influence of media degradation. The initial model results are encouraging which show the
A computational model for simulating solute transport and oxygen consumption along the nephrons
Vallon, Volker; Edwards, Aurélie
2016-01-01
The goal of this study was to investigate water and solute transport, with a focus on sodium transport (TNa) and metabolism along individual nephron segments under differing physiological and pathophysiological conditions. To accomplish this goal, we developed a computational model of solute transport and oxygen consumption (QO2) along different nephron populations of a rat kidney. The model represents detailed epithelial and paracellular transport processes along both the superficial and juxtamedullary nephrons, with the loop of Henle of each model nephron extending to differing depths of the inner medulla. We used the model to assess how changes in TNa may alter QO2 in different nephron segments and how shifting the TNa sites alters overall kidney QO2. Under baseline conditions, the model predicted a whole kidney TNa/QO2, which denotes the number of moles of Na+ reabsorbed per moles of O2 consumed, of ∼15, with TNa efficiency predicted to be significantly greater in cortical nephron segments than in medullary segments. The TNa/QO2 ratio was generally similar among the superficial and juxtamedullary nephron segments, except for the proximal tubule, where TNa/QO2 was ∼20% higher in superficial nephrons, due to the larger luminal flow along the juxtamedullary proximal tubules and the resulting higher, flow-induced transcellular transport. Moreover, the model predicted that an increase in single-nephron glomerular filtration rate does not significantly affect TNa/QO2 in the proximal tubules but generally increases TNa/QO2 along downstream segments. The latter result can be attributed to the generally higher luminal [Na+], which raises paracellular TNa. Consequently, vulnerable medullary segments, such as the S3 segment and medullary thick ascending limb, may be relatively protected from flow-induced increases in QO2 under pathophysiological conditions. PMID:27707705
Modeling variably saturated subsurface solute transport with MODFLOW-UZF and MT3DMS
Morway, Eric D.; Niswonger, Richard G.; Langevin, Christian D.; Bailey, Ryan T.; Healy, Richard W.
2013-01-01
The MT3DMS groundwater solute transport model was modified to simulate solute transport in the unsaturated zone by incorporating the unsaturated-zone flow (UZF1) package developed for MODFLOW. The modified MT3DMS code uses a volume-averaged approach in which Lagrangian-based UZF1 fluid fluxes and storage changes are mapped onto a fixed grid. Referred to as UZF-MT3DMS, the linked model was tested against published benchmarks solved analytically as well as against other published codes, most frequently the U.S. Geological Survey's Variably-Saturated Two-Dimensional Flow and Transport Model. Results from a suite of test cases demonstrate that the modified code accurately simulates solute advection, dispersion, and reaction in the unsaturated zone. Two- and three-dimensional simulations also were investigated to ensure unsaturated-saturated zone interaction was simulated correctly. Because the UZF1 solution is analytical, large-scale flow and transport investigations can be performed free from the computational and data burdens required by numerical solutions to Richards' equation. Results demonstrate that significant simulation runtime savings can be achieved with UZF-MT3DMS, an important development when hundreds or thousands of model runs are required during parameter estimation and uncertainty analysis. Three-dimensional variably saturated flow and transport simulations revealed UZF-MT3DMS to have runtimes that are less than one tenth of the time required by models that rely on Richards' equation. Given its accuracy and efficiency, and the wide-spread use of both MODFLOW and MT3DMS, the added capability of unsaturated-zone transport in this familiar modeling framework stands to benefit a broad user-ship.
Modeling foam delivery mechanisms in deep vadose-zone remediation using method of characteristics
Energy Technology Data Exchange (ETDEWEB)
Roostapour, A. [Craft and Hawkins Department of Petroleum Engineering, Louisiana State University, Baton Rouge, LA 70803 (United States); Kam, S.I., E-mail: kam@lsu.edu [Craft and Hawkins Department of Petroleum Engineering, Louisiana State University, Baton Rouge, LA 70803 (United States)
2012-12-15
Highlights: Black-Right-Pointing-Pointer A new mathematical framework established for vadose-zone foam remediation. Black-Right-Pointing-Pointer Graphical solutions presented by Method of Characteristics quantitatively. Black-Right-Pointing-Pointer Effects of design parameters in the field applications thoroughly investigated. Black-Right-Pointing-Pointer Implication of modeling study for successful field treatment discussed. - Abstract: This study investigates foam delivery mechanisms in vadose-zone remediation by using Method of Characteristics (MoC), a mathematical tool long been used for the analysis of miscible and immiscible flooding in porous media in petroleum industry. MoC converts the governing material-balance partial differential equations into a series of ordinary differential equations, and the resulting solutions are in a form of wave propagation (more specifically, for chemical species and phase saturations) through the system as a function of time and space. Deep vadose-zone remediation has special features compared to other conventional remediation applications. They include, not limited to, a high level of heterogeneity, a very dry initial condition with low water saturation (S{sub w}), pollutants such as metals and radionuclides fully dissolved in groundwater, and a serious concern about downward migration during the remediation treatments. For the vadose-zone remediation processes to be successful, the injected aqueous phase should carry chemicals to react with pollutants and precipitate them for immobilization and stabilization purposes. As a result, foams are believed to be an effective means, and understanding foam flow mechanism in situ is a key to the optimal design of field applications. Results show that foam delivery mechanism is indeed very complicated, making the optimum injection condition field-specific. The five major parameters selected (i.e., initial saturation of the medium, injection foam quality, surfactant adsorption, foam
Mohammadi, Mohammad Hossein; Vanclooster, Marnik
2012-05-01
Solute transport in partially saturated soils is largely affected by fluid velocity distribution and pore size distribution within the solute transport domain. Hence, it is possible to describe the solute transport process in terms of the pore size distribution of the soil, and indirectly in terms of the soil hydraulic properties. In this paper, we present a conceptual approach that allows predicting the parameters of the Convective Lognormal Transfer model from knowledge of soil moisture and the Soil Moisture Characteristic (SMC), parameterized by means of the closed-form model of Kosugi (1996). It is assumed that in partially saturated conditions, the air filled pore volume act as an inert solid phase, allowing the use of the Arya et al. (1999) pragmatic approach to estimate solute travel time statistics from the saturation degree and SMC parameters. The approach is evaluated using a set of partially saturated transport experiments as presented by Mohammadi and Vanclooster (2011). Experimental results showed that the mean solute travel time, μ(t), increases proportionally with the depth (travel distance) and decreases with flow rate. The variance of solute travel time σ²(t) first decreases with flow rate up to 0.4-0.6 Ks and subsequently increases. For all tested BTCs predicted solute transport with μ(t) estimated from the conceptual model performed much better as compared to predictions with μ(t) and σ²(t) estimated from calibration of solute transport at shallow soil depths. The use of μ(t) estimated from the conceptual model therefore increases the robustness of the CLT model in predicting solute transport in heterogeneous soils at larger depths. In view of the fact that reasonable indirect estimates of the SMC can be made from basic soil properties using pedotransfer functions, the presented approach may be useful for predicting solute transport at field or watershed scales. Copyright © 2012 Elsevier B.V. All rights reserved.
Evaluation of unsaturated-zone solute-transport models for studies of agricultural chemicals
Nolan, Bernard T.; Bayless, E. Randall; Green, Christopher T.; Garg, Sheena; Voss, Frank D.; Lampe, David C.; Barbash, Jack E.; Capel, Paul D.; Bekins, Barbara A.
2005-01-01
Seven unsaturated-zone solute-transport models were tested with two data sets to select models for use by the Agricultural Chemical Team of the U.S. Geological Survey's National Water-Quality Assessment Program. The data sets were from a bromide tracer test near Merced, California, and an atrazine study in the White River Basin, Indiana. In this study the models are designated either as complex or simple based on the water flux algorithm. The complex models, HYDRUS2D, LEACHP, RZWQM, and VS2DT, use Richards' equation to simulate water flux and are well suited to process understanding. The simple models, CALF, GLEAMS, and PRZM, use a tipping-bucket algorithm and are more amenable to extrapolation because they require fewer input parameters. The purpose of this report is not to endorse a particular model, but to describe useful features, potential capabilities, and possible limitations that emerged from working with the model input data sets. More rigorous assessment of model applicability involves proper calibration, which was beyond the scope of this study.
Davit, Y.; Wood, B. D.; Debenest, G.; Quintard, M.
2012-01-01
In this work, we study the transient behavior of homogenized models for solute transport in two-region porous media. We focus on the following three models: (1) a time non-local, two-equation model (2eq-nlt). This model does not rely on time
International Nuclear Information System (INIS)
Tran Ngoc, T.D.
2008-07-01
This Ph.D thesis presents the development of the solute transport models in unsaturated double-porosity medium, by using the asymptotic homogenization method. The obtained macroscopic models concern diffusion, diffusion-convection and dispersion-convection, according to the transport regime which is characterized by the non-dimensional numbers. The models consist of two coupled equations that show the local non-equilibrium of concentrations. The double-porosity transport models were numerically implemented using the code COMSOL Multiphysics (finite elements method), and compared with the solution of the same problem at the fine scale. The implementation allows solving the coupled equations in the macro- and micro-porosity domains (two-scale computations). The calculations of the dispersion tensor as a solution of the local boundary value problems, were also conducted. It was shown that the dispersivity depends on the saturation, the physical properties of the macro-porosity domain and the internal structure of the double-porosity medium. Finally, two series of experiments were performed on a physical model of double-porosity that is composed of a periodic assemblage of sintered clay spheres in Hostun sand HN38. The first experiment was a drainage experiment, which was conducted in order to validate the unsaturated flow model. The second series was a dispersion experiment in permanent unsaturated water flow condition (water content measured by gamma ray attenuation technique). A good agreement between the numerical simulations and the experimental observations allows the validation of the developed models. (author)
Assessment of applications of transport models on regional scale solute transport
Guo, Z.; Fogg, G. E.; Henri, C.; Pauloo, R.
2017-12-01
Regional scale transport models are needed to support the long-term evaluation of groundwater quality and to develop management strategies aiming to prevent serious groundwater degradation. The purpose of this study is to evaluate the capacity of previously-developed upscaling approaches to accurately describe main solute transport processes including the capture of late-time tails under changing boundary conditions. Advective-dispersive contaminant transport in a 3D heterogeneous domain was simulated and used as a reference solution. Equivalent transport under homogeneous flow conditions were then evaluated applying the Multi-Rate Mass Transfer (MRMT) model. The random walk particle tracking method was used for both heterogeneous and homogeneous-MRMT scenarios under steady state and transient conditions. The results indicate that the MRMT model can capture the tails satisfactorily for plume transported with ambient steady-state flow field. However, when boundary conditions change, the mass transfer model calibrated for transport under steady-state conditions cannot accurately reproduce the tailing effect observed for the heterogeneous scenario. The deteriorating impact of transient boundary conditions on the upscaled model is more significant for regions where flow fields are dramatically affected, highlighting the poor applicability of the MRMT approach for complex field settings. Accurately simulating mass in both mobile and immobile zones is critical to represent the transport process under transient flow conditions and will be the future focus of our study.
Numerical modeling of solute transport in deformable unsaturated layered soil
Directory of Open Access Journals (Sweden)
Sheng Wu
2017-07-01
Full Text Available The effect of soil stratification was studied through numerical investigation based on the coupled model of solute transport in deformable unsaturated soil. The theoretical model implied two-way coupled excess pore pressure and soil deformation based on Biot's consolidation theory as well as a one-way coupled volatile pollutant concentration field developed from the advection-diffusion theory. Embedded in the model, the degree of saturation, fluid compressibility, self-weight of the soil matrix, porosity variance, longitudinal dispersion, and linear sorption were computed. Based on simulation results of a proposed three-layer landfill model using the finite element method, the multi-layer effects are discussed with regard to the hydraulic conductivity, shear modulus, degree of saturation, molecular diffusion coefficient, and thickness of each layer. Generally speaking, contaminants spread faster in a stratified field with a soft and highly permeable top layer; soil parameters of the top layer are more critical than the lower layers but controlling soil thicknesses will alter the results. This numerical investigation showed noticeable impacts of stratified soil properties on solute migration results, demonstrating the importance of correctly modeling layered soil instead of simply assuming the averaged properties across the soil profile.
Lee, Jonghyun; Rolle, Massimo; Kitanidis, Peter K
2017-09-15
Most recent research on hydrodynamic dispersion in porous media has focused on whole-domain dispersion while other research is largely on laboratory-scale dispersion. This work focuses on the contribution of a single block in a numerical model to dispersion. Variability of fluid velocity and concentration within a block is not resolved and the combined spreading effect is approximated using resolved quantities and macroscopic parameters. This applies whether the formation is modeled as homogeneous or discretized into homogeneous blocks but the emphasis here being on the latter. The process of dispersion is typically described through the Fickian model, i.e., the dispersive flux is proportional to the gradient of the resolved concentration, commonly with the Scheidegger parameterization, which is a particular way to compute the dispersion coefficients utilizing dispersivity coefficients. Although such parameterization is by far the most commonly used in solute transport applications, its validity has been questioned. Here, our goal is to investigate the effects of heterogeneity and mass transfer limitations on block-scale longitudinal dispersion and to evaluate under which conditions the Scheidegger parameterization is valid. We compute the relaxation time or memory of the system; changes in time with periods larger than the relaxation time are gradually leading to a condition of local equilibrium under which dispersion is Fickian. The method we use requires the solution of a steady-state advection-dispersion equation, and thus is computationally efficient, and applicable to any heterogeneous hydraulic conductivity K field without requiring statistical or structural assumptions. The method was validated by comparing with other approaches such as the moment analysis and the first order perturbation method. We investigate the impact of heterogeneity, both in degree and structure, on the longitudinal dispersion coefficient and then discuss the role of local dispersion
Bailey, Ryan T.; Morway, Eric D.; Niswonger, Richard G.; Gates, Timothy K.
2013-01-01
A numerical model was developed that is capable of simulating multispecies reactive solute transport in variably saturated porous media. This model consists of a modified version of the reactive transport model RT3D (Reactive Transport in 3 Dimensions) that is linked to the Unsaturated-Zone Flow (UZF1) package and MODFLOW. Referred to as UZF-RT3D, the model is tested against published analytical benchmarks as well as other published contaminant transport models, including HYDRUS-1D, VS2DT, and SUTRA, and the coupled flow and transport modeling system of CATHY and TRAN3D. Comparisons in one-dimensional, two-dimensional, and three-dimensional variably saturated systems are explored. While several test cases are included to verify the correct implementation of variably saturated transport in UZF-RT3D, other cases are included to demonstrate the usefulness of the code in terms of model run-time and handling the reaction kinetics of multiple interacting species in variably saturated subsurface systems. As UZF1 relies on a kinematic-wave approximation for unsaturated flow that neglects the diffusive terms in Richards equation, UZF-RT3D can be used for large-scale aquifer systems for which the UZF1 formulation is reasonable, that is, capillary-pressure gradients can be neglected and soil parameters can be treated as homogeneous. Decreased model run-time and the ability to include site-specific chemical species and chemical reactions make UZF-RT3D an attractive model for efficient simulation of multispecies reactive transport in variably saturated large-scale subsurface systems.
Benson, James D; Benson, Charles T; Critser, John K
2014-08-01
Optimization of cryopreservation protocols for cells and tissues requires accurate models of heat and mass transport. Model selection often depends on the configuration of the tissue. Here, a mathematical and conceptual model of water and solute transport for whole hamster pancreatic islets has been developed and experimentally validated incorporating fundamental biophysical data from previous studies on individual hamster islet cells while retaining whole-islet structural information. It describes coupled transport of water and solutes through the islet by three methods: intracellularly, intercellularly, and in combination. In particular we use domain decomposition techniques to couple a transmembrane flux model with an interstitial mass transfer model. The only significant undetermined variable is the cellular surface area which is in contact with the intercellularly transported solutes, Ais. The model was validated and Ais determined using a 3×3 factorial experimental design blocked for experimental day. Whole islet physical experiments were compared with model predictions at three temperatures, three perfusing solutions, and three islet size groups. A mean of 4.4 islets were compared at each of the 27 experimental conditions and found to correlate with a coefficient of determination of 0.87±0.06 (mean ± SD). Only the treatment variable of perfusing solution was found to be significant (p<0.05). We have devised a model that retains much of the intrinsic geometric configuration of the system, and thus fewer laboratory experiments are needed to determine model parameters and thus to develop new optimized cryopreservation protocols. Additionally, extensions to ovarian follicles and other concentric tissue structures may be made. Copyright © 2014 Elsevier Inc. All rights reserved.
Modeling particle-facilitated solute transport using the C-Ride module of HYDRUS
Simunek, Jiri; Bradford, Scott A.
2017-04-01
Strongly sorbing chemicals (e.g., heavy metals, radionuclides, pharmaceuticals, and/or explosives) in soils are associated predominantly with the solid phase, which is commonly assumed to be stationary. However, recent field- and laboratory-scale observations have shown that, in the presence of mobile colloidal particles (e.g., microbes, humic substances, clays and metal oxides), the colloids could act as pollutant carriers and thus provide a rapid transport pathway for strongly sorbing contaminants. Such transport can be further accelerated since these colloidal particles may travel through interconnected larger pores where the water velocity is relatively high. Additionally, colloidal particles have a considerable adsorption capacity for other species present in water because of their large specific surface areas and their high concentrations in soil-water and groundwater. As a result, the transport of contaminants can be significantly, sometimes dramatically, enhanced when they are adsorbed to mobile colloids. To address this problem, we have developed the C-Ride module for HYDRUS-1D. This one-dimensional numerical module is based on the HYDRUS-1D software package and incorporates mechanisms associated with colloid and colloid-facilitated solute transport in variably saturated porous media. This numerical model accounts for both colloid and solute movement due to convection, diffusion, and dispersion in variably-saturated soils, as well as for solute movement facilitated by colloid transport. The colloids transport module additionally considers processes of attachment/detachment to/from the solid phase, straining, and/or size exclusion. Various blocking and depth dependent functions can be used to modify the attachment and straining coefficients. The module additionally considers the effects of changes in the water content on colloid/bacteria transport and attachment/detachment to/from solid-water and air-water interfaces. For example, when the air
Modeling of water flow and solute transport in unsaturated heterogeneous fields
International Nuclear Information System (INIS)
Bresler, E.; Dagan, G.
1982-01-01
A comprehensive model which considers dispersive solute transport, nonsteady moisture flow regimes and complex boundary conditions is described. The main assumptions are: vertical flow; spatial variability which is associated with the saturated hydraulic conductivity K/sub s/ occurs in the horizontal plane, but is constant in the profile, and has a lognormal probability distribution function (PDF); deterministic recharge and solute concentration are applied during infiltration; the soil is at uniform water content and salt concentration prior to infiltration. The problem is to solve, for arbitrary K/sub s/, the Richards' equation of flow simultaneously with the diffusion-convection equation for salt transport, with the boundary and initial conditions appropriate to infiltration-redistribution. Once this is achieved, the expectation and variance of various quantities of interest (solute concentration, moisture content) are obtained by using the statistical averaging procedure and the given PDF of K/sub s/. Since the solution of Richards' equation for the infiltration-redistribution cycle is extremely difficult (for a given K/sub s/), an approxiate solution is derived by using the concept of piston flow type wetting fronts. Similarly, accurate numerical solutions are used as input for the same statistical averaging procedure. The stochastic model is applied to two spatially variable soils by using both accurate numerical solutions and the simplified water and salt transport models. A comparison between the results shows that the approximate simplified models lead to quite accurate values of the expectations and variances of the flow variables for the entire field. It is suggested that in spatially variable fields, stochastic modeling represents the actual flow phenomena realistically, and provides the main statistical moments by using simplified flow models which can be used with confidence in applications
Jin, Byung-Ju; Smith, Alex J; Verkman, Alan S
2016-12-01
A "glymphatic system," which involves convective fluid transport from para-arterial to paravenous cerebrospinal fluid through brain extracellular space (ECS), has been proposed to account for solute clearance in brain, and aquaporin-4 water channels in astrocyte endfeet may have a role in this process. Here, we investigate the major predictions of the glymphatic mechanism by modeling diffusive and convective transport in brain ECS and by solving the Navier-Stokes and convection-diffusion equations, using realistic ECS geometry for short-range transport between para-arterial and paravenous spaces. Major model parameters include para-arterial and paravenous pressures, ECS volume fraction, solute diffusion coefficient, and astrocyte foot-process water permeability. The model predicts solute accumulation and clearance from the ECS after a step change in solute concentration in para-arterial fluid. The principal and robust conclusions of the model are as follows: (a) significant convective transport requires a sustained pressure difference of several mmHg between the para-arterial and paravenous fluid and is not affected by pulsatile pressure fluctuations; (b) astrocyte endfoot water permeability does not substantially alter the rate of convective transport in ECS as the resistance to flow across endfeet is far greater than in the gaps surrounding them; and (c) diffusion (without convection) in the ECS is adequate to account for experimental transport studies in brain parenchyma. Therefore, our modeling results do not support a physiologically important role for local parenchymal convective flow in solute transport through brain ECS. © 2016 Jin et al.
Pouran, Behdad; Arbabi, Vahid; Weinans, Harrie; Zadpoor, Amir A
2016-11-01
Transport of solutes helps to regulate normal physiology and proper function of cartilage in diarthrodial joints. Multiple studies have shown the effects of characteristic parameters such as concentration of proteoglycans and collagens and the orientation of collagen fibrils on the diffusion process. However, not much quantitative information and accurate models are available to help understand how the characteristics of the fluid surrounding articular cartilage influence the diffusion process. In this study, we used a combination of micro-computed tomography experiments and biphasic-solute finite element models to study the effects of three parameters of the overlying bath on the diffusion of neutral solutes across cartilage zones. Those parameters include bath size, degree of stirring of the bath, and the size and concentration of the stagnant layer that forms at the interface of cartilage and bath. Parametric studies determined the minimum of the finite bath size for which the diffusion behavior reduces to that of an infinite bath. Stirring of the bath proved to remarkably influence neutral solute transport across cartilage zones. The well-stirred condition was achieved only when the ratio of the diffusivity of bath to that of cartilage was greater than ≈1000. While the thickness of the stagnant layer at the cartilage-bath interface did not significantly influence the diffusion behavior, increase in its concentration substantially elevated solute concentration in cartilage. Sufficient stirring attenuated the effects of the stagnant layer. Our findings could be used for efficient design of experimental protocols aimed at understanding the transport of molecules across articular cartilage. Copyright © 2016 Elsevier Ltd. All rights reserved.
International Nuclear Information System (INIS)
Mishra, S.; Chakraborty, S.; DebRoy, T.
2005-01-01
A transport phenomena-based mathematical model is developed to understand liquation cracking in weldments during fusion welding. Equations of conservation of mass, momentum, heat, and solute transport are numerically solved considering nonequilibrium solidification and filler metal addition to determine the solid and liquid phase fractions in the solidifying region and the solute distribution in the weld pool. An effective partition coefficient that considers the local interface velocity and the undercooling is used to simulate solidification during welding. The calculations show that convection plays a dominant role in the solute transport inside the weld pool. The predicted weld-metal solute content agreed well with the independent experimental observations. The liquation cracking susceptibility in Al-Cu alloy weldments could be reliably predicted by the model based on the computed solidifying weld-metal composition and solid fraction considering nonequilibrium solidification
Dam, van J.C.
2000-01-01
Water flow and solute transport in top soils are important elements in many environmental studies. The agro- and ecohydrological model SWAP (Soil-Water-Plant-Atmosphere) has been developed to simulate simultaneously water flow, solute transport, heat flow and crop growth at field scale
Warsta, L.; Karvonen, T.
2017-12-01
There are currently 25 shooting and training areas in Finland managed by The Finnish Defence Forces (FDF), where military activities can cause contamination of open waters and groundwater reservoirs. In the YMPYRÄ project, a computer software framework is being developed that combines existing open environmental data and proprietary information collected by FDF with computational models to investigate current and prevent future environmental problems. A data centric philosophy is followed in the development of the system, i.e. the models are updated and extended to handle available data from different areas. The results generated by the models are summarized as easily understandable flow and risk maps that can be opened in GIS programs and used in environmental assessments by experts. Substances investigated with the system include explosives and metals such as lead, and both surface and groundwater dominated areas can be simulated. The YMPYRÄ framework is composed of a three dimensional soil and groundwater flow model, several solute transport models and an uncertainty assessment system. Solute transport models in the framework include particle based, stream tube and finite volume based approaches. The models can be used to simulate solute dissolution from source area, transport in the unsaturated layers to groundwater and finally migration in groundwater to water extraction wells and springs. The models can be used to simulate advection, dispersion, equilibrium adsorption on soil particles, solubility and dissolution from solute phase and dendritic solute decay chains. Correct numerical solutions were confirmed by comparing results to analytical 1D and 2D solutions and by comparing the numerical solutions to each other. The particle based and stream tube type solute transport models were useful as they could complement the traditional finite volume based approach which in certain circumstances produced numerical dispersion due to piecewise solution of the
Atlabachew, Abunu; Shu, Longcang; Wu, Peipeng; Zhang, Yongjie; Xu, Yang
2018-03-01
This laboratory study improves the understanding of the impacts of horizontal hydraulic gradient, artificial recharge, and groundwater pumping on solute transport through aquifers. Nine experiments and numerical simulations were carried out using a sand tank. The variable-density groundwater flow and sodium chloride transport were simulated using the three-dimensional numerical model SEAWAT. Numerical modelling results successfully reproduced heads and concentrations observed in the sand tank. A higher horizontal hydraulic gradient enhanced the migration of sodium chloride, particularly in the groundwater flow direction. The application of constant artificial recharge increased the spread of the sodium chloride plume in both the longitudinal and lateral directions. In addition, groundwater pumping accelerated spreading of the sodium chloride plume towards the pumping well. Both higher hydraulic gradient and pumping rate generated oval-shaped plumes in the horizontal plane. However, the artificial recharge process produced stretched plumes. These effects of artificial recharge and groundwater pumping were greater under higher hydraulic gradient. The concentration breakthrough curves indicated that emerging solutions never attained the concentration of the originally injected solution. This is probably because of sorption of sodium chloride onto the silica sand and/or the exchange of sodium chloride between the mobile and immobile liquid domains. The fingering and protruding plume shapes in the numerical models constitute instability zones produced by buoyancy-driven flow. Overall, the results have substantiated the influences of hydraulic gradient, boundary condition, artificial recharge, pumping rate and density differences on solute transport through a homogeneous unconfined aquifer. The implications of these findings are important for managing liquid wastes.
Modeling the solute transport by particle-tracing method with variable weights
Jiang, J.
2016-12-01
Particle-tracing method is usually used to simulate the solute transport in fracture media. In this method, the concentration at one point is proportional to number of particles visiting this point. However, this method is rather inefficient at the points with small concentration. Few particles visit these points, which leads to violent oscillation or gives zero value of concentration. In this paper, we proposed a particle-tracing method with variable weights. The concentration at one point is proportional to the sum of the weights of the particles visiting it. It adjusts the weight factors during simulations according to the estimated probabilities of corresponding walks. If the weight W of a tracking particle is larger than the relative concentration C at the corresponding site, the tracking particle will be splitted into Int(W/C) copies and each copy will be simulated independently with the weight W/Int(W/C) . If the weight W of a tracking particle is less than the relative concentration C at the corresponding site, the tracking particle will be continually tracked with a probability W/C and the weight will be adjusted to be C. By adjusting weights, the number of visiting particles distributes evenly in the whole range. Through this variable weights scheme, we can eliminate the violent oscillation and increase the accuracy of orders of magnitudes.
Directory of Open Access Journals (Sweden)
Stanko Ružičić
2012-12-01
Full Text Available Conceptual model of flow and solute transport in unsaturated zone at Kosnica site, which is the basis for modeling pollution migration through the unsaturated zone to groundwater, is set up. The main characteristics of the unsaturated zone of the Kosnica site are described. Detailed description of investigated profile of unsaturated zone, with all necessary analytical results performed and used in building of conceptual models, is presented. Experiments that are in progress and processes which are modeled are stated. Monitoring of parameters necessary for calibration of models is presented. The ultimate goal of research is risk assessment of groundwater contamination at Kosnica site that has its source in or on unsaturated zone.
International Nuclear Information System (INIS)
Molinero, J.; Samper, J.
2003-01-01
Several countries around the world are considering the final disposal of high-level radioactive waste in deep repositories located in fractured granite formations. Evaluating the long term safety of such repositories requires sound conceptual and numerical models which must consider simultaneously groundwater flow, solute transport and chemical and radiological processes. These models are being developed from data and knowledge gained from in situ experiments carried out at deep underground laboratories such as that of Aspo, Sweden, constructed in fractured granite. The Redox Zone Experiment is one of such experiments performed at Aspo in order to evaluate the effects of the construction of the access tunnel on the hydrogeological and hydrochemical conditions of a fracture zone intersected by the tunnel. Previous authors interpreted hydrochemical and isotopic data of this experiment using a mass-balance approach based on a qualitative description of groundwater flow conditions. Such an interpretation, however, is subject to uncertainties related to an over-simplified conceptualization of groundwater flow. Here we present numerical models of groundwater flow and solute transport for this fracture zone. The first model is based on previously published conceptual model. It presents noticeable un consistencies and fails to match simultaneously observed draw downs and chloride breakthrough curves. To overcome its limitations, a revised flow and transport model is presented which relies directly on available hydrodynamic and transport parameters, is based on the identification of appropriate flow and transport boundary conditions and uses, when needed, solute data extrapolated from nearby fracture zones. A significant quantitative improvement is achieved with the revised model because its results match simultaneously drawdown and chloride data. Other improvements are qualitative and include: ensuring consistency of hydrodynamic and hydrochemical data and avoiding
Directory of Open Access Journals (Sweden)
Roman Cherniha
2016-06-01
Full Text Available The nonlinear mathematical model for solute and fluid transport induced by the osmotic pressure of glucose and albumin with the dependence of several parameters on the hydrostatic pressure is described. In particular, the fractional space available for macromolecules (albumin was used as a typical example and fractional fluid void volume were assumed to be different functions of hydrostatic pressure. In order to find non-uniform steady-state solutions analytically, some mathematical restrictions on the model parameters were applied. Exact formulae (involving hypergeometric functions for the density of fluid flux from blood to tissue and the fluid flux across tissues were constructed. In order to justify the applicability of the analytical results obtained, a wide range of numerical simulations were performed. It was found that the analytical formulae can describe with good approximation the fluid and solute transport (especially the rate of ultrafiltration for a wide range of values of the model parameters.
Directory of Open Access Journals (Sweden)
Xingwei Wang
2014-01-01
Full Text Available Due to the uneven distribution of pollutions and blur edge of pollutant area, there will exist uncertainty of source term shape in advective-diffusion equation model of contaminant transport. How to generalize those irregular source terms and deal with those uncertainties is very critical but rarely studied in previous research. In this study, the fate and transport of contaminant from rectangular and elliptic source geometry were simulated based on a three-dimensional analytical solute transport model, and the source geometry generalization guideline was developed by comparing the migration of contaminant. The result indicated that the variation of source area size had no effect on pollution plume migration when the plume migrated as far as five times of source side length. The migration of pollution plume became slower with the increase of aquifer thickness. The contaminant concentration was decreasing with scale factor rising, and the differences among various scale factors became smaller with the distance to field increasing.
International Nuclear Information System (INIS)
Guan, C.; Xie, H.J.; Wang, Y.Z.; Chen, Y.M.; Jiang, Y.S.; Tang, X.W.
2014-01-01
An analytical model for solute advection and dispersion in a two-layered liner consisting of a geosynthetic clay liner (GCL) and a soil liner (SL) considering the effect of biodegradation was proposed. The analytical solution was derived by Laplace transformation and was validated over a range of parameters using the finite-layer method based software Pollute v7.0. Results show that if the half-life of the solute in GCL is larger than 1 year, the degradation in GCL can be neglected for solute transport in GCL/SL. When the half-life of GCL is less than 1 year, neglecting the effect of degradation in GCL on solute migration will result in a large difference of relative base concentration of GCL/SL (e.g., 32% for the case with half-life of 0.01 year). The 100-year solute base concentration can be reduced by a factor of 2.2 when the hydraulic conductivity of the SL was reduced by an order of magnitude. The 100-year base concentration was reduced by a factor of 155 when the half life of the contaminant in the SL was reduced by an order of magnitude. The effect of degradation is more important in approving the groundwater protection level than the hydraulic conductivity. The analytical solution can be used for experimental data fitting, verification of complicated numerical models and preliminary design of landfill liner systems. - Highlights: •Degradation of contaminants was considered in modeling solute transport in GCL/SL. •Analytical solutions were derived for assessment of GCL/SL with degradation. •Degradation in GCL can be ignored as half-life is larger than 1 year. •Base concentration is more sensitive to half-life of SL than to permeability of SL
Energy Technology Data Exchange (ETDEWEB)
Guan, C. [Institute of Hydrology and Water Resources Engineering, Zhejiang University, Hangzhou 310058 (China); Xie, H.J., E-mail: xiehaijian@zju.edu.cn [Institute of Hydrology and Water Resources Engineering, Zhejiang University, Hangzhou 310058 (China); MOE Key Laboratory of Soft Soils and Geoenvironmental Engineering, Zhejiang University, Hangzhou 310058 (China); Wang, Y.Z.; Chen, Y.M.; Jiang, Y.S.; Tang, X.W. [MOE Key Laboratory of Soft Soils and Geoenvironmental Engineering, Zhejiang University, Hangzhou 310058 (China)
2014-01-01
An analytical model for solute advection and dispersion in a two-layered liner consisting of a geosynthetic clay liner (GCL) and a soil liner (SL) considering the effect of biodegradation was proposed. The analytical solution was derived by Laplace transformation and was validated over a range of parameters using the finite-layer method based software Pollute v7.0. Results show that if the half-life of the solute in GCL is larger than 1 year, the degradation in GCL can be neglected for solute transport in GCL/SL. When the half-life of GCL is less than 1 year, neglecting the effect of degradation in GCL on solute migration will result in a large difference of relative base concentration of GCL/SL (e.g., 32% for the case with half-life of 0.01 year). The 100-year solute base concentration can be reduced by a factor of 2.2 when the hydraulic conductivity of the SL was reduced by an order of magnitude. The 100-year base concentration was reduced by a factor of 155 when the half life of the contaminant in the SL was reduced by an order of magnitude. The effect of degradation is more important in approving the groundwater protection level than the hydraulic conductivity. The analytical solution can be used for experimental data fitting, verification of complicated numerical models and preliminary design of landfill liner systems. - Highlights: •Degradation of contaminants was considered in modeling solute transport in GCL/SL. •Analytical solutions were derived for assessment of GCL/SL with degradation. •Degradation in GCL can be ignored as half-life is larger than 1 year. •Base concentration is more sensitive to half-life of SL than to permeability of SL.
Cremer, Clemens; Neuweiler, Insa; Bechtold, Michel
2013-04-01
simulations differ in lateral scale reaching from 0.2 m to 1.5 m, while the height of the domain is kept constant to 1.5m. Strong material heterogeneity is realized through vertical layers of coarse and fine sand. Both materials remain permanently under liquid-flow-dominated ('stage1') evaporation conditions. Spatial moments as well as the dilution index (Kitanidis, 1994) are used for quantification of transport behaviour. Results show that, while all simulations led to anomalous transport, infiltration-evaporation cycles lead to faster solute leaching rates than solely infiltration at the same net-infiltration rate in both homogeneous and heterogeneous media. Flow and transport-paths significantly differed between infiltration and evaporation, resulting in lateral water fluxes and hence lateral solute transport. Variation of the width of the model domain shows faster leaching rates for domains with small horizontal extent.
The modelling of heat, mass and solute transport in solidification systems
Voller, V. R.; Brent, A. D.; Prakash, C.
1989-01-01
The aim of this paper is to explore the range of possible one-phase models of binary alloy solidification. Starting from a general two-phase description, based on the two-fluid model, three limiting cases are identified which result in one-phase models of binary systems. Each of these models can be readily implemented in standard single phase flow numerical codes. Differences between predictions from these models are examined. In particular, the effects of the models on the predicted macro-segregation patterns are evaluated.
A proposed strategy for the validation of ground-water flow and solute transport models
International Nuclear Information System (INIS)
Davis, P.A.; Goodrich, M.T.
1991-01-01
Ground-water flow and transport models can be thought of as a combination of conceptual and mathematical models and the data that characterize a given system. The judgment of the validity or invalidity of a model depends both on the adequacy of the data and the model structure (i.e., the conceptual and mathematical model). This report proposes a validation strategy for testing both components independently. The strategy is based on the philosophy that a model cannot be proven valid, only invalid or not invalid. In addition, the authors believe that a model should not be judged in absence of its intended purpose. Hence, a flow and transport model may be invalid for one purpose but not invalid for another. 9 refs
Underdown, C. G.; Boutt, D. F.; Hynek, S. A.; Munk, L. A.
2017-12-01
Importance of transience in managed groundwater systems is generally determined by timeframe of management decisions. Watersheds with management times shorter than the aquifer (watershed) response time, or the time it takes a watershed to recover from a change in hydrologic state, would not include the new state and are treated as steady-state. However, these watersheds will experience transient response between hydrologic states. Watershed response time is a function of length. Therefore flat, regional watersheds characteristic of the Great Basin have long response times. Defining watershed extents as the area in which the water budget is balanced means inputs equal outputs. Steady-state budgets in the Great Basin have been balanced by extending watershed boundaries to include more area for recharge; however, the length and age of requisite flow paths are poorly constrained and often unrealistic. Inclusion of stored water in hydrologic budget calculations permits water balance within smaller contributing areas. As groundwater flow path lengths, depths, and locations differ between steady-state and transient systems, so do solute transport mechanisms. To observe how transience affects response time and solute transport, a refined (transient) version of the USGS steady-state groundwater flow model of the Great Basin is evaluated. This model is used to assess transient changes in contributing area for Clayton Valley, a lithium-brine producing endorheic basin in southwestern Nevada. Model runs of various recharge, discharge and storage bounds are created from conceptual models based upon historical climate data. Comparing results of the refined model to USGS groundwater observations allows for model validation and comparison against the USGS steady-state model. The transient contributing area to Clayton Valley is 85% smaller than that calculated from the steady-state solution, however several long flow paths important to both water and solute budgets at Clayton Valley
Schuff, M M; Gore, J P; Nauman, E A
2013-05-01
In order to better understand the mechanisms governing transport of drugs, nanoparticle-based treatments, and therapeutic biomolecules, and the role of the various physiological parameters, a number of mathematical models have previously been proposed. The limitations of the existing transport models indicate the need for a comprehensive model that includes transport in the vessel lumen, the vessel wall, and the interstitial space and considers the effects of the solute concentration on fluid flow. In this study, a general model to describe the transient distribution of fluid and multiple solutes at the microvascular level was developed using mixture theory. The model captures the experimentally observed dependence of the hydraulic permeability coefficient of the capillary wall on the concentration of solutes present in the capillary wall and the surrounding tissue. Additionally, the model demonstrates that transport phenomena across the capillary wall and in the interstitium are related to the solute concentration as well as the hydrostatic pressure. The model is used in a companion paper to examine fluid and solute transport for the simplified case of an axisymmetric geometry with no solid deformation or interconversion of mass.
Energy Technology Data Exchange (ETDEWEB)
Gustafsson, Lars-Goeran; Sassner, Mona (DHI Sverige AB, Stockholm (Sweden)); Bosson, Emma (Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden))
2008-12-15
The Swedish Nuclear Fuel and Waste Management Company (SKB) is performing site investigations at two different locations in Sweden, referred to as the Forsmark and Laxemar areas, with the objective of siting a final repository for high-level radioactive waste. Data from the site investigations are used in a variety of modelling activities. This report presents model development and results of numerical transport modelling based on the numerical flow modelling of surface water and near-surface groundwater at the Forsmark site. The numerical modelling was performed using the modelling tool MIKE SHE and is based on the site data and conceptual model of the Forsmark areas. This report presents solute transport applications based on both particle tracking simulations and advection-dispersion calculations. The MIKE SHE model is the basis for the transport modelling presented in this report. Simulation cases relevant for the transport from a deep geological repository have been studied, but also the pattern of near surface recharge and discharge areas. When the main part of the modelling work presented in this report was carried out, the flow modelling of the Forsmark site was not finalised. Thus, the focus of this work is to describe the sensitivity to different transport parameters, and not to point out specific areas as discharge areas from a future repository (this is to be done later, within the framework of the safety assessment). In the last chapter, however, results based on simulations with the re-calibrated MIKE SHE flow model are presented. The results from the MIKE SHE water movement calculations were used by cycling the calculated transient flow field for a selected one-year period as many times as needed to achieve the desired simulation period. The solute source was located either in the bedrock or on top of the model. In total, 15 different transport simulation cases were studied. Five of the simulations were particle tracking simulations, whereas the rest
International Nuclear Information System (INIS)
Gustafsson, Lars-Goeran; Sassner, Mona; Bosson, Emma
2008-12-01
The Swedish Nuclear Fuel and Waste Management Company (SKB) is performing site investigations at two different locations in Sweden, referred to as the Forsmark and Laxemar areas, with the objective of siting a final repository for high-level radioactive waste. Data from the site investigations are used in a variety of modelling activities. This report presents model development and results of numerical transport modelling based on the numerical flow modelling of surface water and near-surface groundwater at the Forsmark site. The numerical modelling was performed using the modelling tool MIKE SHE and is based on the site data and conceptual model of the Forsmark areas. This report presents solute transport applications based on both particle tracking simulations and advection-dispersion calculations. The MIKE SHE model is the basis for the transport modelling presented in this report. Simulation cases relevant for the transport from a deep geological repository have been studied, but also the pattern of near surface recharge and discharge areas. When the main part of the modelling work presented in this report was carried out, the flow modelling of the Forsmark site was not finalised. Thus, the focus of this work is to describe the sensitivity to different transport parameters, and not to point out specific areas as discharge areas from a future repository (this is to be done later, within the framework of the safety assessment). In the last chapter, however, results based on simulations with the re-calibrated MIKE SHE flow model are presented. The results from the MIKE SHE water movement calculations were used by cycling the calculated transient flow field for a selected one-year period as many times as needed to achieve the desired simulation period. The solute source was located either in the bedrock or on top of the model. In total, 15 different transport simulation cases were studied. Five of the simulations were particle tracking simulations, whereas the rest
Modelling of groundwater flow and solute transport in Olkiluoto. Update 2008
International Nuclear Information System (INIS)
Loefman, J.; Pitkaenen, P.; Meszaros, F.; Keto, V.; Ahokas, H.
2009-10-01
Posiva Oy is preparing for the final disposal of spent nuclear fuel in the crystalline bedrock in Finland. Olkiluoto in Eurajoki has been selected as the primary site for the repository, subject to further detailed characterisation which is currently focused on the construction of an underground rock characterisation and research facility (the ONKALO). An essential part of the site investigation programme is analysis of the deep groundwater flow by means of numerical flow modelling. This study is the latest update concerning the site-scale flow modelling and is based on all the hydrogeological data gathered from field investigations by the end of 2007. The work is divided into two separate modelling tasks: 1) characterization of the baseline groundwater flow conditions before excavation of the ONKALO, and 2) a prediction/outcome (P/O) study of the potential hydrogeological disturbances due to the ONKALO. The flow model was calibrated by using all the available data that was appropriate for the applied, deterministic, equivalent porous medium (EPM) / dual-porosity (DP) approach. In the baseline modelling, calibration of the flow model focused on improving the agreement between the calculated results and the undisturbed observations. The calibration resulted in a satisfactory agreement with the measured pumping test responses, a very good overall agreement with the observed pressures in the deep drill holes and a fairly good agreement with the observed salinity. Some discrepancies still remained in a few single drill hole sections, because the fresh water infiltration in the model tends to dilute the groundwater too much at shallow depths. In the P/O calculations the flow model was further calibrated by using the monitoring data on the ONKALO disturbances. Having significantly more information on the inflows to the tunnel (compared with the previous study) allowed better calibration of the model, which allowed it to capture very well the observed inflow, the
Modelling of present and future hydrology and solute transport at Forsmark. SR-Site Biosphere
International Nuclear Information System (INIS)
Bosson, Emma; Sassner, Mona; Sabel, Ulrika; Gustafsson, Lars-Goeran
2010-10-01
Radioactive waste from nuclear power plants in Sweden is managed by the Swedish Nuclear Fuel and Waste Management Co, SKB. SKB has performed site investigations at two different locations in Sweden, referred to as the Forsmark and Laxemar-Simpevarp areas, with the objective of siting a final repository for high-level radioactive waste. In 2009 a decision was made to focus on the Forsmark site. This decision was based on a large amount of empirical evidence suggesting Forsmark to be more suitable for a geological repository /SKB 2010b/. This report presents model results of numerical flow and transport modelling of surface water and near-surface groundwater at the Forsmark site for present and future conditions. Both temperate and periglacial climates have been simulated. Also different locations of the shoreline have been applied to the model, as well as different models of vegetation and Quaternary deposits. The modelling was performed using the modelling tool MIKE SHE and was based on the SDM-Site Forsmark MIKE SHE model (presented by Bosson et al. in SKB report R-08-09). The present work is a part of the biosphere modelling performed for the SR-Site safety assessment. The Forsmark area has a flat, small-scale topography. The study area is almost entirely below 20 m.a.s.l. (metres above sea level). There is a strong correlation between the topography of the ground surface and the ground water level in the Quaternary deposits (QD); thus, the surface water divides and the groundwater divides for the QD can be assumed to coincide. No major water courses flow through the catchment. Small brooks, which often dry out in the summer, connect the different sub-catchments with each other. The main lakes in the area, Lake Bolundsfjaerden, Lake Fiskarfjaerden, Lake Gaellsbotraesket and Lake Eckarfjaerden, all have sizes of less than one km2. The lakes are in general shallow. Approximately 70% of the catchment areas are covered by forest. Agricultural land is only present in
Modelling of present and future hydrology and solute transport at Forsmark. SR-Site Biosphere
Energy Technology Data Exchange (ETDEWEB)
Bosson, Emma (Swedish Nuclear Fuel and Waste Management Co., Stocholm (Sweden)); Sassner, Mona; Sabel, Ulrika; Gustafsson, Lars-Goeran (DHI Sverige AB (Sweden))
2010-10-15
Radioactive waste from nuclear power plants in Sweden is managed by the Swedish Nuclear Fuel and Waste Management Co, SKB. SKB has performed site investigations at two different locations in Sweden, referred to as the Forsmark and Laxemar-Simpevarp areas, with the objective of siting a final repository for high-level radioactive waste. In 2009 a decision was made to focus on the Forsmark site. This decision was based on a large amount of empirical evidence suggesting Forsmark to be more suitable for a geological repository /SKB 2010b/. This report presents model results of numerical flow and transport modelling of surface water and near-surface groundwater at the Forsmark site for present and future conditions. Both temperate and periglacial climates have been simulated. Also different locations of the shoreline have been applied to the model, as well as different models of vegetation and Quaternary deposits. The modelling was performed using the modelling tool MIKE SHE and was based on the SDM-Site Forsmark MIKE SHE model (presented by Bosson et al. in SKB report R-08-09). The present work is a part of the biosphere modelling performed for the SR-Site safety assessment. The Forsmark area has a flat, small-scale topography. The study area is almost entirely below 20 m.a.s.l. (metres above sea level). There is a strong correlation between the topography of the ground surface and the ground water level in the Quaternary deposits (QD); thus, the surface water divides and the groundwater divides for the QD can be assumed to coincide. No major water courses flow through the catchment. Small brooks, which often dry out in the summer, connect the different sub-catchments with each other. The main lakes in the area, Lake Bolundsfjaerden, Lake Fiskarfjaerden, Lake Gaellsbotraesket and Lake Eckarfjaerden, all have sizes of less than one km2. The lakes are in general shallow. Approximately 70% of the catchment areas are covered by forest. Agricultural land is only present in
Modeling of water and solute transport under variably saturated conditions: state of the art
International Nuclear Information System (INIS)
Lappala, E.G.
1980-01-01
This paper reviews the equations used in deterministic models of mass and energy transport in variably saturated porous media. Analytic, quasi-analytic, and numerical solution methods to the nonlinear forms of transport equations are discussed with respect to their advantages and limitations. The factors that influence the selection of a modeling method are discussed in this paper; they include the following: (1) the degree of coupling required among the equations describing the transport of liquids, gases, solutes, and energy; (2) the inclusion of an advection term in the equations; (3) the existence of sharp fronts; (4) the degree of nonlinearity and hysteresis in the transport coefficients and boundary conditions; (5) the existence of complex boundaries; and (6) the availability and reliability of data required by the models
DEFF Research Database (Denmark)
Lee, Jonghyun; Rolle, Massimo; Kitanidis, Peter K.
2018-01-01
Most recent research on hydrodynamic dispersion in porous media has focused on whole-domain dispersion while other research is largely on laboratory-scale dispersion. This work focuses on the contribution of a single block in a numerical model to dispersion. Variability of fluid velocity and conc...
DEFF Research Database (Denmark)
Andersen, Theis Raaschou; Poulsen, Søren Erbs; Thomsen, Peter
the two field sites includes only lithological profiles from boreholes. In order to increase the density of the field data, the two areas were mapped with Electrical Resistivity Tomography (ERT). Based on the borehole information and the high-density geophysical data, detailed 3D geological models...
MaSTiS, microorganism and solute transport in streams, model documentation and user manual
In-stream fate and transport of solutes and microorganisms need to be understood to evaluate suitability of waters for agricultural, recreational, and household uses and eventually minimize surface water contamination. Concerns over safety of this water resulted in development of predictive models f...
Energy Technology Data Exchange (ETDEWEB)
Kim, Jaisoo; Sung, Kijune; Corapcioglu, M. Yavuz; Drew, Malcolm C
2004-09-01
A contaminant transport model was developed to simulate the fate and transport of organic compounds such as TNT (2,4,6-trinitrotoluene), using the single-root system. Onions were planted for this system with 50-ml plastic tubes. Mass in the soil, soil solution, root and leaf was monitored using {sup 14}C-TNT. Model parameters were acquired from the experiments in the single-root system and were used to simulate total TNT concentration in soil, providing the average concentrations in the rhizosphere and bulk soil as well as root and leaf compartments. Because the existing RCF (root concentration factor) and TSCF (transpiration stream concentration factor) equations based on log K{sub ow} (octanol-water partition coefficient) were not correlated to TNT uptake, a new term, root uptake rate (R{sub ur}), and a new T{sub scf} equation, based on the experimental data, were introduced in the proposed model. The results from both modeling and experimental studies showed higher concentrations of TNT in the rhizosphere than in the bulk soil, because mass transported from the surrounding soil into the rhizosphere was higher than that by root uptake.
Solute transport in crystalline rocks at Aspö--I: geological basis and model calibration.
Mazurek, Martin; Jakob, Andreas; Bossart, Paul
2003-03-01
Water-conducting faults and fractures were studied in the granite-hosted Aspö Hard Rock Laboratory (SE Sweden). On a scale of decametres and larger, steeply dipping faults dominate and contain a variety of different fault rocks (mylonites, cataclasites, fault gouges). On a smaller scale, somewhat less regular fracture patterns were found. Conceptual models of the fault and fracture geometries and of the properties of rock types adjacent to fractures were derived and used as input for the modelling of in situ dipole tracer tests that were conducted in the framework of the Tracer Retention Understanding Experiment (TRUE-1) on a scale of metres. After the identification of all relevant transport and retardation processes, blind predictions of the breakthroughs of conservative to moderately sorbing tracers were calculated and then compared with the experimental data. This paper provides the geological basis and model calibration, while the predictive and inverse modelling work is the topic of the companion paper [J. Contam. Hydrol. 61 (2003) 175]. The TRUE-1 experimental volume is highly fractured and contains the same types of fault rocks and alterations as on the decametric scale. The experimental flow field was modelled on the basis of a 2D-streamtube formalism with an underlying homogeneous and isotropic transmissivity field. Tracer transport was modelled using the dual porosity medium approach, which is linked to the flow model by the flow porosity. Given the substantial pumping rates in the extraction borehole, the transport domain has a maximum width of a few centimetres only. It is concluded that both the uncertainty with regard to the length of individual fractures and the detailed geometry of the network along the flowpath between injection and extraction boreholes are not critical because flow is largely one-dimensional, whether through a single fracture or a network. Process identification and model calibration were based on a single uranine breakthrough
Numerical modelling of coupled fluid, heat, and solute transport in deformable fractured rock
International Nuclear Information System (INIS)
Chan, T.; Reid, J.A.K.
1987-01-01
This paper reports on a three-dimensional (3D) finite-element code, MOTIF (model of transport in fractured/porous media), developed to model the coupled processes of groundwater flow, heat transport, brine transport, and one-species radionuclide transport in geological media. Three types of elements are available: a 3D continuum element, a planar fracture element that can be oriented in any arbitrary direction in 3D space or pipe flow in 3D space, and a line element for simulating fracture flow in 2D space or pipe flow in 3D space. As a quality-assurance measure, the MOTIF code was verified by comparison of its results with analytical solutions and other published numerical solutions
Minimum requirements for predictive pore-network modeling of solute transport in micromodels
Mehmani, Yashar; Tchelepi, Hamdi A.
2017-10-01
Pore-scale models are now an integral part of analyzing fluid dynamics in porous materials (e.g., rocks, soils, fuel cells). Pore network models (PNM) are particularly attractive due to their computational efficiency. However, quantitative predictions with PNM have not always been successful. We focus on single-phase transport of a passive tracer under advection-dominated regimes and compare PNM with high-fidelity direct numerical simulations (DNS) for a range of micromodel heterogeneities. We identify the minimum requirements for predictive PNM of transport. They are: (a) flow-based network extraction, i.e., discretizing the pore space based on the underlying velocity field, (b) a Lagrangian (particle tracking) simulation framework, and (c) accurate transfer of particles from one pore throat to the next. We develop novel network extraction and particle tracking PNM methods that meet these requirements. Moreover, we show that certain established PNM practices in the literature can result in first-order errors in modeling advection-dominated transport. They include: all Eulerian PNMs, networks extracted based on geometric metrics only, and flux-based nodal transfer probabilities. Preliminary results for a 3D sphere pack are also presented. The simulation inputs for this work are made public to serve as a benchmark for the research community.
Zee, van der S.E.A.T.M.; Leijnse, A.
2013-01-01
Solute transport is of importance in view of the movement of nutrient elements, e.g. towards the plant root system, and because of a broad range of pollutants. Pollution is not necessarily man induced, but may be due to geological or geohydrological causes, e.g. in the cases of pollution with
Davit, Y.
2012-07-26
In this work, we study the transient behavior of homogenized models for solute transport in two-region porous media. We focus on the following three models: (1) a time non-local, two-equation model (2eq-nlt). This model does not rely on time constraints and, therefore, is particularly useful in the short-time regime, when the timescale of interest (t) is smaller than the characteristic time (τ 1) for the relaxation of the effective macroscale parameters (i. e., when t ≤ τ 1); (2) a time local, two-equation model (2eq). This model can be adopted when (t) is significantly larger than (τ 1) (i.e., when t≫τ 1); and (3) a one-equation, time-asymptotic formulation (1eq ∞). This model can be adopted when (t) is significantly larger than the timescale (τ 2) associated with exchange processes between the two regions (i. e., when t≫τ 2). In order to obtain insight into this transient behavior, we combine a theoretical approach based on the analysis of spatial moments with numerical and analytical results in several simple cases. The main result of this paper is to show that there is only a weak asymptotic convergence of the solution of (2eq) towards the solution of (1eq ∞) in terms of standardized moments but, interestingly, not in terms of centered moments. The physical interpretation of this result is that deviations from the Fickian situation persist in the limit of long times but that the spreading of the solute is eventually dominating these higher order effects. © 2012 Springer Science+Business Media B.V.
Swanson, Ryan D; Binley, Andrew; Keating, Kristina; France, Samantha; Osterman, Gordon; Day-Lewis, Frederick D.; Singha, Kamini
2015-01-01
The advection-dispersion equation (ADE) fails to describe commonly observed non-Fickian solute transport in saturated porous media, necessitating the use of other models such as the dual-domain mass-transfer (DDMT) model. DDMT model parameters are commonly calibrated via curve fitting, providing little insight into the relation between effective parameters and physical properties of the medium. There is a clear need for material characterization techniques that can provide insight into the geometry and connectedness of pore spaces related to transport model parameters. Here, we consider proton nuclear magnetic resonance (NMR), direct-current (DC) resistivity, and complex conductivity (CC) measurements for this purpose, and assess these methods using glass beads as a control and two different samples of the zeolite clinoptilolite, a material that demonstrates non-Fickian transport due to intragranular porosity. We estimate DDMT parameters via calibration of a transport model to column-scale solute tracer tests, and compare NMR, DC resistivity, CC results, which reveal that grain size alone does not control transport properties and measured geophysical parameters; rather, volume and arrangement of the pore space play important roles. NMR cannot provide estimates of more-mobile and less-mobile pore volumes in the absence of tracer tests because these estimates depend critically on the selection of a material-dependent and flow-dependent cutoff time. Increased electrical connectedness from DC resistivity measurements are associated with greater mobile pore space determined from transport model calibration. CC was hypothesized to be related to length scales of mass transfer, but the CC response is unrelated to DDMT.
Walton-Day, Katherine; Runkel, Robert L.; Kimball, Briant A.
2012-01-01
Spatially detailed mass-loading studies and solute-transport modeling using OTIS (One-dimensional Transport with Inflow and Storage) demonstrate how natural attenuation and loading from distinct and diffuse sources control stream water quality and affect load reductions predicted in total maximum daily loads (TMDLs). Mass-loading data collected during low-flow from Cement Creek (a low-pH, metal-rich stream because of natural and mining sources, and subject to TMDL requirements) were used to calibrate OTIS and showed spatially variable effects of natural attenuation (instream reactions) and loading from diffuse (groundwater) and distinct sources. OTIS simulations of the possible effects of TMDL-recommended remediation of mine sites showed less improvement to dissolved zinc load and concentration (14% decrease) than did the TMDL (53-63% decrease). The TMDL (1) assumed conservative transport, (2) accounted for loads removed by remediation by subtracting them from total load at the stream mouth, and (3) did not include diffuse-source loads. In OTIS, loads were reduced near their source; the resulting concentration was decreased by natural attenuation and increased by diffuse-source loads during downstream transport. Thus, by not including natural attenuation and loading from diffuse sources, the TMDL overestimated remediation effects at low flow. Use of the techniques presented herein could improve TMDLs by incorporating these processes during TMDL development.
Jin, Byung-Ju; Smith, Alex J.
2016-01-01
A “glymphatic system,” which involves convective fluid transport from para-arterial to paravenous cerebrospinal fluid through brain extracellular space (ECS), has been proposed to account for solute clearance in brain, and aquaporin-4 water channels in astrocyte endfeet may have a role in this process. Here, we investigate the major predictions of the glymphatic mechanism by modeling diffusive and convective transport in brain ECS and by solving the Navier–Stokes and convection–diffusion equations, using realistic ECS geometry for short-range transport between para-arterial and paravenous spaces. Major model parameters include para-arterial and paravenous pressures, ECS volume fraction, solute diffusion coefficient, and astrocyte foot-process water permeability. The model predicts solute accumulation and clearance from the ECS after a step change in solute concentration in para-arterial fluid. The principal and robust conclusions of the model are as follows: (a) significant convective transport requires a sustained pressure difference of several mmHg between the para-arterial and paravenous fluid and is not affected by pulsatile pressure fluctuations; (b) astrocyte endfoot water permeability does not substantially alter the rate of convective transport in ECS as the resistance to flow across endfeet is far greater than in the gaps surrounding them; and (c) diffusion (without convection) in the ECS is adequate to account for experimental transport studies in brain parenchyma. Therefore, our modeling results do not support a physiologically important role for local parenchymal convective flow in solute transport through brain ECS. PMID:27836940
The methods described in the report can be used with the modified N.R.C. version of the U.S.G.S. Solute Transport Model to predict the concentration of chemical parameters in a contaminant plume. The two volume report contains program documentation and user's manual. The program ...
Directory of Open Access Journals (Sweden)
J. Moeys
2012-07-01
Full Text Available Estimating pesticide leaching risks at the regional scale requires the ability to completely parameterise a pesticide fate model using only survey data, such as soil and land-use maps. Such parameterisations usually rely on a set of lookup tables and (pedotransfer functions, relating elementary soil and site properties to model parameters. The aim of this paper is to describe and test a complete set of parameter estimation algorithms developed for the pesticide fate model MACRO, which accounts for preferential flow in soil macropores. We used tracer monitoring data from 16 lysimeter studies, carried out in three European countries, to evaluate the ability of MACRO and this "blind parameterisation" scheme to reproduce measured solute leaching at the base of each lysimeter. We focused on the prediction of early tracer breakthrough due to preferential flow, because this is critical for pesticide leaching. We then calibrated a selected number of parameters in order to assess to what extent the prediction of water and solute leaching could be improved.
Our results show that water flow was generally reasonably well predicted (median model efficiency, ME, of 0.42. Although the general pattern of solute leaching was reproduced well by the model, the overall model efficiency was low (median ME = −0.26 due to errors in the timing and magnitude of some peaks. Preferential solute leaching at early pore volumes was also systematically underestimated. Nonetheless, the ranking of soils according to solute loads at early pore volumes was reasonably well estimated (concordance correlation coefficient, CCC, between 0.54 and 0.72. Moreover, we also found that ignoring macropore flow leads to a significant deterioration in the ability of the model to reproduce the observed leaching pattern, and especially the early breakthrough in some soils. Finally, the calibration procedure showed that improving the estimation of solute transport parameters is
Moeys, J.; Larsbo, M.; Bergström, L.; Brown, C. D.; Coquet, Y.; Jarvis, N. J.
2012-07-01
Estimating pesticide leaching risks at the regional scale requires the ability to completely parameterise a pesticide fate model using only survey data, such as soil and land-use maps. Such parameterisations usually rely on a set of lookup tables and (pedo)transfer functions, relating elementary soil and site properties to model parameters. The aim of this paper is to describe and test a complete set of parameter estimation algorithms developed for the pesticide fate model MACRO, which accounts for preferential flow in soil macropores. We used tracer monitoring data from 16 lysimeter studies, carried out in three European countries, to evaluate the ability of MACRO and this "blind parameterisation" scheme to reproduce measured solute leaching at the base of each lysimeter. We focused on the prediction of early tracer breakthrough due to preferential flow, because this is critical for pesticide leaching. We then calibrated a selected number of parameters in order to assess to what extent the prediction of water and solute leaching could be improved. Our results show that water flow was generally reasonably well predicted (median model efficiency, ME, of 0.42). Although the general pattern of solute leaching was reproduced well by the model, the overall model efficiency was low (median ME = -0.26) due to errors in the timing and magnitude of some peaks. Preferential solute leaching at early pore volumes was also systematically underestimated. Nonetheless, the ranking of soils according to solute loads at early pore volumes was reasonably well estimated (concordance correlation coefficient, CCC, between 0.54 and 0.72). Moreover, we also found that ignoring macropore flow leads to a significant deterioration in the ability of the model to reproduce the observed leaching pattern, and especially the early breakthrough in some soils. Finally, the calibration procedure showed that improving the estimation of solute transport parameters is probably more important than the
International Nuclear Information System (INIS)
Gylling, B.
1997-01-01
The Channel Network model and its computer implementation, the code CHAN3D, for simulations of fluid flow and transport of solutes have been developed. The tool may be used for performance and safety assessments of deep lying repositories in fractured rocks for nuclear and other hazardous wastes, e.g. chemical wastes. It may also be used to simulate and interpret field experiments of flow and transport in large or small scale. Fluid flow and solute transport in fractured media are of interest in the performance assessment of a repository for hazardous waste, located at depth in crystalline rock, with potential release of solutes. Fluid flow in fractured rock is found to be very unevenly distributed due to the heterogeneity of the medium. The water will seek the easiest path, channels, under a prevailing pressure gradient. Solutes in the flowing water may be transported through preferential paths and migrate from the water in the fractures into the stagnant water in the rock matrix. There, sorbing solutes may be sorbed on the micro surfaces within the matrix. The diffusion into the matrix and the sorption process may significantly retard the transport of species and increase the time available for radionuclide decay. Channelling and matrix diffusion contribute to the dispersion of solutes in the water. Important for performance assessment is that channeling may cause a portion of the solutes to arrive much faster than the rest of the solutes. Simulations of field experiments at the Aespoe Hard Rock Laboratory using the Channel Network model have been performed. The application of the model to the site and the simulation results of the pumping and tracer tests are presented. The results show that the model is capable of describing the hydraulic gradient and of predicting flow rates and tracer transport obtained in the experiments. The data requirements for the Channel Network model have been investigated to determine which data are the most important for predictions
Energy Technology Data Exchange (ETDEWEB)
Samper, J.; Ajora, C. (Instituto de Ciencias de la Tierra, CSIC, Barcerlona (Spain))
1993-01-01
During subsurface transport, reactive solutes are subject to a variety of hydrodynamic and chemical processes. The major hydrodynamic processes include advection and convection, dispersion and diffusion. The key chemical processes are complexation including hydrolysis and acid-base reactions, dissolution-precipitation, reduction-oxidation, adsorption and ion exchange. The combined effects of all these processes on solute transport must satisfy the principle of conservation of mass. The statement of conservation of mass for N mobile species leads to N partial differential equations. Traditional solute transport models often incorporate the effects of hydrodynamic processes rigorously but oversimplify chemical interactions among aqueous species. Sophisticated chemical equilibrium models, on the other hand, incorporate a variety of chemical processes but generally assume no-flow systems. In the past decade, coupled models accounting for complex hydrological and chemical processes, with varying degrees of sophistication, have been developed. The existing models of reactive transport employ two basic sets of equations. The transport of solutes is described by a set of partial differential equations, and the chemical processes, under the assumption of equilibrium, are described by a set of nonlinear algebraic equations. An important consideration in any approach is the choice of primary dependent variables. Most existing models cannot account for the complete set of chemical processes, cannot be easily extended to include mixed chemical equilibria and kinetics, and cannot handle practical two and three dimensional problems. The difficulties arise mainly from improper selection of the primary variables in the transport equations. (Author) 38 refs.
Arbabi, Vahid; Pouran, Behdad; Weinans, Harrie; Zadpoor, Amir A
2016-06-14
Charged and uncharged solutes penetrate through cartilage to maintain the metabolic function of chondrocytes and to possibly restore or further breakdown the cartilage tissue in different stages of osteoarthritis. In this study the transport of charged solutes across the various zones of cartilage was quantified, taken into account the physicochemical interactions between the solute and the cartilage constituents. A multiphasic finite-bath finite element (FE) model was developed to simulate equine cartilage diffusion experiments that used a negatively charged contrast agent (ioxaglate) in combination with serial micro-computed tomography (micro-CT) to measure the diffusion. By comparing the FE model with the experimental data both the diffusion coefficient of ioxaglate and the fixed charge density (FCD) were obtained. In the multiphasic model, cartilage was divided into multiple (three) zones to help understand how diffusion coefficient and FCD vary across cartilage thickness. The direct effects of charged solute-FCD interaction on diffusion were investigated by comparing the diffusion coefficients derived from the multiphasic and biphasic-solute models. We found a relationship between the FCD obtained by the multiphasic model and ioxaglate partitioning obtained from micro-CT experiments. Using our multi-zone multiphasic model, diffusion coefficient of the superficial zone was up to ten-fold higher than that of the middle zone, while the FCD of the middle zone was up to almost two-fold higher than that of the superficial zone. In conclusion, the developed finite-bath multiphasic model provides us with a non-destructive method by which we could obtain both diffusion coefficient and FCD of different cartilage zones. The outcomes of the current work will also help understand how charge of the bath affects the diffusion of a charged molecule and also predict the diffusion behavior of a charged solute across articular cartilage. Copyright © 2016 Elsevier Ltd. All
International Nuclear Information System (INIS)
Gwo, J.P.; Jardine, P.M.; Yeh, G.T.; Wilson, G.V.
1995-04-01
Matrix diffusion, a diffusive mass transfer process,in the structured soils and geologic units at ORNL, is believe to be an important subsurface mass transfer mechanism; it may affect off-site movement of radioactive wastes and remediation of waste disposal sites by locally exchanging wastes between soil/rock matrix and macropores/fractures. Advective mass transfer also contributes to waste movement but is largely neglected by researchers. This report presents the first documented 2-D multiregion solute transport code (MURT) that incorporates not only diffusive but also advective mass transfer and can be applied to heterogeneous porous media under transient flow conditions. In this report, theoretical background is reviewed and the derivation of multiregion solute transport equations is presented. Similar to MURF (Gwo et al. 1994), a multiregion subsurface flow code, multiplepore domains as suggested by previous investigators (eg, Wilson and Luxmoore 1988) can be implemented in MURT. Transient or steady-state flow fields of the pore domains can be either calculated by MURF or by modelers. The mass transfer process is briefly discussed through a three-pore-region multiregion solute transport mechanism. Mass transfer equations that describe mass flux across pore region interfaces are also presented and parameters needed to calculate mass transfer coefficients detailed. Three applications of MURT (tracer injection problem, sensitivity analysis of advective and diffusive mass transfer, hillslope ponding infiltration and secondary source problem) were simulated and results discussed. Program structure of MURT and functions of MURT subroutiness are discussed so that users can adapt the code; guides for input data preparation are provided in appendices
DEFF Research Database (Denmark)
Bjerg, Poul Løgstrup; Ammentorp, Hans Christian; Christensen, Thomas Højlund
1993-01-01
A large-scale and long-term field experiment on cation exchange in a sandy aquifer has been modelled by a three-dimensional geochemical transport model. The geochemical model includes cation-exchange processes using a Gaines-Thomas expression, the closed carbonate system and the effects of ionic...... by batch experiments and by the composition of the cations on the exchange complex. Potassium showed a non-ideal exchange behaviour with K&z.sbnd;Ca selectivity coefficients indicating dependency on equivalent fraction and K+ concentration in the aqueous phase. The model simulations over a distance of 35 m...... and a period of 250 days described accurately the observed attenuation of Na and the expelled amounts of Ca and Mg. Also, model predictions of plateau zones, formed by interaction with the background groundwater, in general agreed satisfactorily with the observations. Transport of K was simulated over a period...
Energy Technology Data Exchange (ETDEWEB)
Samper, Javier; Molinero, Jorge; Changbing Yang; Guoxiang Zhang [Univ. Da Coruna (Spain)
2003-12-01
The Redox Zone Experiment was carried out at the Aespoe HRL in order to study the redox behaviour and the hydrochemistry of an isolated vertical fracture zone disturbed by the excavation of an access tunnel. Overall results and interpretation of the Redox Zone Project were reported by Banwart et al. Later, Banwart presented a summary of the hydrochemistry of the Redox Zone Experiment. Coupled groundwater flow and reactive transport models of this experiment were carried out by Molinero who proposed a revised conceptual model for the hydrogeology of the Redox Zone Experiment which could explain simultaneously measured drawdown and salinity data. The numerical model was found useful to understand the natural system. Several conclusions were drawn about the redox conditions of recharge waters, cation exchange capacity of the fracture zone and the role of mineral phases such as pyrite, calcite, hematite and goethite. This model could reproduce the measured trends of dissolved species, except for bicarbonate and sulphate which are affected by microbially-mediated processes. In order to explore the role of microbial processes, a coupled numerical model has been constructed which accounts for water flow, reactive transport and microbial processes. The results of this model is presented in this report. This model accounts for groundwater flow and reactive transport in a manner similar to that of Molinero and extends the preliminary microbial model of Zhang by accounting for microbially-driven organic matter fermentation and organic matter oxidation. This updated microbial model considers simultaneously the fermentation of particulate organic matter by yeast and the oxidation of dissolved organic matter, a product of fermentation. Dissolved organic matter is produced by yeast and serves also as a substrate for iron-reducing bacteria. Model results reproduce the observed increase in bicarbonate and sulfaphe concentration, thus adding additional evidence for the possibility
International Nuclear Information System (INIS)
Samper, Javier; Molinero, Jorge; Changbing Yang; Guoxiang Zhang
2003-12-01
The Redox Zone Experiment was carried out at the Aespoe HRL in order to study the redox behaviour and the hydrochemistry of an isolated vertical fracture zone disturbed by the excavation of an access tunnel. Overall results and interpretation of the Redox Zone Project were reported by Banwart et al. Later, Banwart presented a summary of the hydrochemistry of the Redox Zone Experiment. Coupled groundwater flow and reactive transport models of this experiment were carried out by Molinero who proposed a revised conceptual model for the hydrogeology of the Redox Zone Experiment which could explain simultaneously measured drawdown and salinity data. The numerical model was found useful to understand the natural system. Several conclusions were drawn about the redox conditions of recharge waters, cation exchange capacity of the fracture zone and the role of mineral phases such as pyrite, calcite, hematite and goethite. This model could reproduce the measured trends of dissolved species, except for bicarbonate and sulphate which are affected by microbially-mediated processes. In order to explore the role of microbial processes, a coupled numerical model has been constructed which accounts for water flow, reactive transport and microbial processes. The results of this model is presented in this report. This model accounts for groundwater flow and reactive transport in a manner similar to that of Molinero and extends the preliminary microbial model of Zhang by accounting for microbially-driven organic matter fermentation and organic matter oxidation. This updated microbial model considers simultaneously the fermentation of particulate organic matter by yeast and the oxidation of dissolved organic matter, a product of fermentation. Dissolved organic matter is produced by yeast and serves also as a substrate for iron-reducing bacteria. Model results reproduce the observed increase in bicarbonate and sulfaphe concentration, thus adding additional evidence for the possibility
Energy Technology Data Exchange (ETDEWEB)
Samper, Javier; Molinero, Jorg; Changbing, Yang; Zhang, Guoxiang
2003-12-01
The Redox Zone Experiment was carried out at the Aespoe HRL in order to study the redox behavior and the hydrochemistry of an isolated vertical fracture zone disturbed by the excavation of an access tunnel. Overall results and interpretation of the Redox Zone Project were reported by /Banwart et al, 1995/. Later, /Banwart et al, 1999/ presented a summary of the hydrochemistry of the Redox Zone Experiment. Coupled groundwater flow and reactive transport models of this experiment were carried out by /Molinero, 2000/ who proposed a revised conceptual model for the hydrogeology of the Redox Zone Experiment which could explain simultaneously measured drawdown and salinity data. The numerical model was found useful to understand the natural system. Several conclusions were drawn about the redox conditions of recharge waters, cation exchange capacity of the fracture zone and the role of mineral phases such as pyrite, calcite, hematite and goethite. This model could reproduce the measured trends of dissolved species, except for bicarbonate and sulfate which are affected by microbially-mediated processes. In order to explore the role of microbial processes, a coupled numerical model has been constructed which accounts for water flow, reactive transport and microbial processes. The results of this model is presented in this report. This model accounts for groundwater flow and reactive transport in a manner similar to that of /Molinero, 2000/ and extends the preliminary microbial model of /Zhang, 2001/ by accounting for microbially-driven organic matter fermentation and organic matter oxidation. This updated microbial model considers simultaneously the fermentation of particulate organic matter by yeast and the oxidation of dissolved organic matter, a product of fermentation. Dissolved organic matter is produced by yeast and serves also as a substrate for iron-reducing bacteria. Model results reproduce the observed increase in bicarbonate and sulfate concentration, thus
Lekakis, E. H.; Antonopoulos, V. Z.
2015-11-01
Simulation models can be important tools for analyzing and managing irrigation, soil salinization or crop production problems. In this study a mathematical model that describes the water movement and mass transport of individual ions (Ca2+, Mg2+ and Na+) and overall soil salinity by means of the soil solution electrical conductivity, is used. The mass transport equations of Ca2+, Mg2+ and Na+ have been incorporated as part of the integrated model WANISIM and the soil salinity was computed as the sum of individual ions. The model was calibrated and validated against field data, collected during a three year experiment in plots of maize, irrigated with three different irrigation water qualities, at Thessaloniki area in Northern Greece. The model was also used to evaluate salinization and sodification hazards by the use of irrigation water with increasing electrical conductivity of 0.8, 3.2 and 6.4 dS m-1, while maintaining a ratio of Ca2+:Mg2+:Na+ equal to 3:3:2. The qualitative and quantitative procedures for results evaluation showed that there was good agreement between the simulated and measured values of the water content, overall salinity and the concentration of individual soluble cations, at two soil layers (0-35 and 35-75 cm). Nutrient uptake was also taken into account. Locally available irrigation water (ECiw = 0.8 dS m-1) did not cause soil salinization or sodification. On the other hand, irrigation water with ECiw equal to 3.2 and 6.4 dS m-1 caused severe soil salinization, but not sodification. The rainfall water during the winter seasons was not sufficient to leach salts below the soil profile of 110 cm. The modified version of model WANISIM is able to predict the effects of irrigation with saline waters on soil and plant growth and it is suitable for irrigation management in areas with scarce and low quality water resources.
de Vries, Enno T.; Raoof, Amir; van Genuchten, Martinus Th.
2017-07-01
Many environmental and agricultural applications involve the transport of water and dissolved constituents through aggregated soil profiles, or porous media that are structured, fractured or macroporous in other ways. During the past several decades, various process-based macroscopic models have been used to simulate contaminant transport in such media. Many of these models consider advective-dispersive transport through relatively large inter-aggregate pore domains, while exchange with the smaller intra-aggregate pores is assumed to be controlled by diffusion. Exchange of solute between the two domains is often represented using a first-order mass transfer coefficient, which is commonly obtained by fitting to observed data. This study aims to understand and quantify the solute exchange term by applying a dual-porosity pore-scale network model to relatively large domains, and analysing the pore-scale results in terms of the classical dual-porosity (mobile-immobile) transport formulation. We examined the effects of key parameters (notably aggregate porosity and aggregate permeability) on the main dual-porosity model parameters, i.e., the mobile water fraction (ϕm) and the mass transfer coefficient (α). Results were obtained for a wide range of aggregate porosities (between 0.082 and 0.700). The effect of aggregate permeability was explored by varying pore throat sizes within the aggregates. Solute breakthrough curves (BTCs) obtained with the pore-scale network model at several locations along the domain were analysed using analytical solutions of the dual-porosity model to obtain estimates of ϕm and α. An increase in aggregate porosity was found to decrease ϕm and increase α, leading to considerable tailing in the BTCs. Changes in the aggregate pore throat size affected the relative flow velocity between the intra- and inter-aggregate domains. Higher flow velocities within the aggregates caused a change in the transport regime from diffusion dominated to more
Baveye, Philippe C.; Pot, Valérie; Garnier, Patricia
2017-12-01
In the last decade, X-ray computed tomography (CT) has become widely used to characterize the geometry and topology of the pore space of soils and natural porous media. Regardless of the resolution of CT images, a fundamental problem associated with their use, for example as a starting point in simulation efforts, is that sub-resolution pores are not detected. Over the last few years, a particular type of modeling method, known as ;Grey; or ;Partial Bounce Back; Lattice-Boltzmann (LB), has been adopted by increasing numbers of researchers to try to account for sub-resolution pores in the modeling of water and solute transport in natural porous media. In this short paper, we assess the extent to which Grey LB methods indeed offer a workable solution to the problem at hand. We conclude that, in spite of significant computational advances, a major experimental hurdle related to the evaluation of the penetrability of sub-resolution pores, is blocking the way ahead. This hurdle will need to be cleared before Grey LB can become a credible option in the microscale modeling of soils and sediments. A necessarily interdisciplinary effort, involving both modelers and experimentalists, is needed to clear the path forward.
Le, Tien Dung; Moyne, Christian; Murad, Marcio A.
2015-01-01
A new three-scale model is proposed to describe the movement of ionic species of different valences in swelling clays characterized by three separate length scales (nano, micro, and macro) and two levels of porosity (nano- and micropores). At the finest (nano) scale the medium is treated as charged clay particles saturated by aqueous electrolyte solution containing monovalent and divalent ions forming the electrical double layer. A new constitutive law is constructed for the disjoining pressure based on the numerical resolution of non-local problem at the nanoscale which, in contrast to the Poisson-Boltzmann theory for point charge ions, is capable of capturing the short-range interactions between the ions due to their finite size. At the intermediate scale (microscale), the two-phase homogenized particle/electrolyte solution system is represented by swollen clay clusters (or aggregates) with the nanoscale disjoining pressure incorporated in a modified form of Terzaghi's effective principle. At the macroscale, the electro-chemical-mechanical couplings within clay clusters is homogenized with the ion transport in the bulk fluid lying in the micro pores. The resultant macroscopic picture is governed by a three-scale model wherein ion transport takes place in the bulk solution strongly coupled with the mechanics of the clay clusters which play the role of sources/sinks of mass to the bulk fluid associated with ion adsorption/desorption in the electrical double layer at the nanoscale. Within the context of the quasi-steady version of the multiscale model, wherein the electrolyte solution in the nanopores is assumed at instantaneous thermodynamic equilibrium with the bulk fluid in the micropores, we build-up numerically the ion-adsorption isotherms along with the constitutive law of the retardation coefficients of monovalent and divalent ions. In addition, the constitutive law for the macroscopic swelling pressure is reconstructed numerically showing patterns of
Clothier, B. E.; van der Velde, M.; Green, S. R.; Gee, G. W.; Manu, V.; Menoniti, V.; Vanclooster, M.
2005-05-01
Intensification of agriculture on the raised coral atolls of the Tongan archipelago, notably through squash-pumpkin production, has lead to increased use of agrichemicals. Agrichemicals, both fertilisers and pesticides, pose a risk to these fragile environments. Sustainable land-management practices are needed for small-island developing states. On Tongatapu, solutes leaving the rootzone of the squash can rapidly find their way to the underlying freshwater lenses. These lenses are hydraulically linked to the internal lagoon, and the fringing reefs. We have used buried, non-suction fluxmeters to monitor both the quantity and quality of drainage leaving the rootzone of squash. Fertiliser is traditionally applied at planting. During establishment of the squash in 2003, some 350 mm of rain fell, with 70 % of this leaving the rootzone of this permeable soil as drainage. The concentration of nitrate-N in the drainage water was measured at around 50 mg-N/L. All of the initial fertiliser dressing had been lost, along with N mineralised from the plowed-in grass. Pesticides are needed in humid tropical environments to control weeds, pests and diseases. These chemicals can leach though the rootzone to contaminate receiving waters. We modeled the transport and fate of the presticides used in squash production, and we developed a Decision Support Tool (DST). Our DST can be used to select the best pesticides for local conditions, to tailor practices for minimising leaching losses below the rootzone, and to avoid the build-up of residues in the soil. This project, funded by the European Union and NZAID, took a multi-disciplinary approach through measurement and modeling protocols. Our DST enabled us to engage the wider community and stakeholders. There has been increased awareness of the impacts and risks associated with productive land management in the fragile hydrological environments of this small-island developing state.
Samper, J.; Font, I.; Yang, C.; Montenegro, L.
2004-12-01
The reference concept for a HLW repository in clay in Spain includes a 75 cm thick bentonite buffer which surrounds canisters. A concrete sustainment 20 cm thick is foreseen between the bentonite buffer and the clay formation. The long term geochemical evolution of the near field is affected by a high-pH hyperalkaline plume induced by concrete. Numerical models of multicomponent reactive transport have been developped in order to quantify the evolution of the system over 1 Ma. Water flow is negligible once the bentonite buffer is saturated after about 20 years. Therefore, solute transport occurs mainly by diffusion. Models account for aqueous complexation, acid-base and redox reactions, cation exchange, and mineral dissolution precipitation in the bentonite, the concrete and the clay formation. Numerical results obtained witth CORE2D indicate that the high-pH plume causes significant changes in porewater chemistry both in the bentonite buffer and the clay formation. Porosity changes caused by mineral dissolution/precipitation are extremely important. Therefore, coupled modes of diffusion and reactive transport accounting for changes in porosity caused by mineral precipitation are required in order to obtain realistic predictions.
Huan, Huan; Wang, Jinsheng; Lai, Desheng; Teng, Yanguo; Zhai, Yuanzheng
2015-05-01
Well vulnerability assessment is essential for groundwater source protection. A quantitative approach to assess well vulnerability in a well capture zone is presented, based on forward solute transport modeling. This method was applied to three groundwater source areas (Jiuzhan, Hadawan and Songyuanhada) in Jilin City, northeast China. The ratio of the maximum contaminant concentration at the well to the released concentration at the contamination source ( c max/ c 0) was determined as the well vulnerability indicator. The results indicated that well vulnerability was higher close to the pumping well. The well vulnerability in each groundwater source area was low. Compared with the other two source areas, the cone of depression at Jiuzhan resulted in higher spatial variability of c max/ c 0 and lower minimum c max/ c 0 by three orders of magnitude. Furthermore, a sensitivity analysis indicated that the denitrification rate in the aquifer was the most sensitive with respect to well vulnerability. A process to derive a NO3-N concentration at the pumping well is presented, based on determining the maximum nitrate loading limit to satisfy China's drinking-water quality standards. Finally, the advantages, disadvantages and prospects for improving the precision of this well vulnerability assessment approach are discussed.
Liu, Longcheng; Neretnieks, Ivars; Shahkarami, Pirouz; Meng, Shuo; Moreno, Luis
2018-02-01
A simple and robust solution is developed for the problem of solute transport along a single fracture in a porous rock. The solution is referred to as the solution to the single-flow-path model and takes the form of a convolution of two functions. The first function is the probability density function of residence-time distribution of a conservative solute in the fracture-only system as if the rock matrix is impermeable. The second function is the response of the fracture-matrix system to the input source when Fickian-type dispersion is completely neglected; thus, the effects of Fickian-type dispersion and matrix diffusion have been decoupled. It is also found that the solution can be understood in a way in line with the concept of velocity dispersion in fractured rocks. The solution is therefore extended into more general cases to also account for velocity variation between the channels. This leads to a development of the multi-channel model followed by detailed statistical descriptions of channel properties and sensitivity analysis of the model upon changes in the model key parameters. The simulation results obtained by the multi-channel model in this study fairly well agree with what is often observed in field experiments—i.e. the unchanged Peclet number with distance, which cannot be predicted by the classical advection-dispersion equation. In light of the findings from the aforementioned analysis, it is suggested that forced-gradient experiments can result in considerably different estimates of dispersivity compared to what can be found in natural-gradient systems for typical channel widths.
Energy Technology Data Exchange (ETDEWEB)
Molinero Huguet, J
2001-07-01
This work deals with numerical modeling of groundwater flow, solute transport and chemical reactions through fractured media. These models have been developed within the framework of research activities founded by ENRESA , the Spanish Company for Nuclear Waste Management. This project is the result of a collaborative agreement between ENRESA and his equivalent Swedish Company (SKB) through the research project Task Force 5 of the Aspo Underground Laboratory. One of the objectives of this project is to assess quantitatively th hydrogeological and hydrochemical impact produced by the construction of a Deep Geological Repository in fractured granites. This is important because the new conditions altered construction impact will constitute the initial conditions for the repository closure stage. A second goo l of this work deals with testing the ability of current numerical tools to cope simultaneously with the complex hydrogeological and hydrochemical settlings, which are expected to take place in actual nuclear waste underground repositories constructed in crystalline fractured bed racks. This study has been undertaken through the performance of numerical models, which have subsequently been applied to simulate the hydrogeological and hydrochemical behavior of a granite massif, at a kilo metrical scale, during construction of the Aspo Hard Rock Underground Laboratory (Sweden). The Aspo Hard Rock Laboratory is a prototype, full-scale underground facility launched and operated by SKB. The main aim of the laboratory is to provide an opportunity for research, development and demonstration in a realistic rock environment down to the depth planned for the future deep repository. The framework of this underground facility provides a unique opportunity to attempt the objectives of the present dissertation. (Author)
International Nuclear Information System (INIS)
Molinero Huguet, J.
2001-06-01
This work deals with numerical modeling of groundwater flow, solute transport and chemical reactions through fractured media. These models have been developed within the framework of research activities founded by ENRESA , the Spanish Company for Nuclear Waste Management. This project is the result of a collaborative agreement between ENRESA and his equivalent Swedish Company (SKB) through the research project Task Force 5 of the Aspo Underground Laboratory. One of the objectives of this project is to assess quantitatively th hydrogeological and hydrochemical impact produced by the construction of a Deep Geological Repository in fractured granites. This is important because the new conditions altered construction impact will constitute the initial conditions for the repository closure stage. A second goo l of this work deals with testing the ability of current numerical tools to cope simultaneously with the complex hydrogeological and hydrochemical settlings, which are expected to take place in actual nuclear waste underground repositories constructed in crystalline fractured bed racks. This study has been undertaken through the performance of numerical models, which have subsequently been applied to simulate the hydrogeological and hydrochemical behavior of a granite massif, at a kilo metrical scale, during construction of the Aspo Hard Rock Underground Laboratory (Sweden). The Aspo Hard Rock Laboratory is a prototype, full-scale underground facility launched and operated by SKB. The main aim of the laboratory is to provide an opportunity for research, development and demonstration in a realistic rock environment down to the depth planned for the future deep repository. The framework of this underground facility provides a unique opportunity to attempt the objectives of the present dissertation. (Author)
International Nuclear Information System (INIS)
Santandrea, Simone
2001-01-01
This research thesis addresses the resolution of the neutron transport equation inside reactor cells in non-structured grids and in general geometry by using the method of characteristics (MoC) and two acceleration methods developed during this research. The author introduces the MoC with a flat approximation of the neutron collision source within each computation area. This formulation leads to a linear approximation. The next part presents the mathematical framework for the use of the Lanczos iterative scheme. A new acceleration method is then introduced. The last part reports realistic cases with a high spatial and angular heterogeneity. Results obtained by using the Apollo2-TDT code are compared with those obtained with the Tripoli4 Monte-Carlo code [fr
Peritoneal solute transport and inflammation.
Davies, Simon J
2014-12-01
The speed with which small solutes cross the peritoneal membrane, termed peritoneal solute transport rate (PSTR), is a key measure of individual membrane performance. PSTR can be quantified easily by using the 4-hour dialysate to plasma creatinine ratio, which, although only an approximation to the diffusive characteristics of the membrane, has been well validated clinically in terms of its relationship to patient survival and changes in longitudinal membrane function. This has led to changes in peritoneal dialysis modality use and dialysis prescription. An important determinant of PSTR is intraperitoneal inflammation, as exemplified by local interleukin 6 production, which is largely independent of systemic inflammation and its relationship to comorbid conditions and increased mortality. There is no strong evidence to support the contention that the peritoneal membrane in some individuals with high PSTR is qualitatively different at the start of treatment; rather, it represents a spectrum that is determined in part by genetic factors. Both clinical and experimental evidence support the view that persistent intraperitoneal inflammation, detected as a continuously high or increasing PSTR, may predispose the membrane to progressive fibrosis. Copyright © 2014 National Kidney Foundation, Inc. Published by Elsevier Inc. All rights reserved.
Reactive solute transport in acidic streams
Broshears, R.E.
1996-01-01
Spatial and temporal profiles of Ph and concentrations of toxic metals in streams affected by acid mine drainage are the result of the interplay of physical and biogeochemical processes. This paper describes a reactive solute transport model that provides a physically and thermodynamically quantitative interpretation of these profiles. The model combines a transport module that includes advection-dispersion and transient storage with a geochemical speciation module based on MINTEQA2. Input to the model includes stream hydrologic properties derived from tracer-dilution experiments, headwater and lateral inflow concentrations analyzed in field samples, and a thermodynamic database. Simulations reproduced the general features of steady-state patterns of observed pH and concentrations of aluminum and sulfate in St. Kevin Gulch, an acid mine drainage stream near Leadville, Colorado. These patterns were altered temporarily by injection of sodium carbonate into the stream. A transient simulation reproduced the observed effects of the base injection.
dispersion equation parameters of solute transport in agricultural
African Journals Online (AJOL)
Jane
2011-08-31
Aug 31, 2011 ... fields for predicting soil quality property. Key words: ... The classical approach of modeling solute transport in porous media uses the deterministic ... concentration of the solution in the liquid phase, u0 is the mean velocity and ...
Solute transport in aggregated and layered porous media
International Nuclear Information System (INIS)
Koch, S.
1993-01-01
This work is a contribution to research in soil physics dealing with solute transport in porous media. The influence of structural inhomogeneities on solute transport is investigated. Detailed experiments at the laboratory scale are used to enlighten distinct processes which cannot be studied separately at field scale. Two main aspects are followed up: (i) to show the influence of aggregation of a porous medium on breakthrough time and spreading of an inert tracer and consequences on the estimation of parameter values of models describing solute transport in aggregated systems, (ii) to investigate the influences on the dispersion process when stratification is perpendicular to the direction of flow. Several concepts of modelling solute transport in soil are discussed. Models based on the convection-dispersion equation (CDE) are emphasized because they are used here to model solute transport experiments conducted with aggregated porous media. Stochastic concepts are introduced to show the limitations of the deterministic CDE approaches. Experiments are done in columns containing two kinds of solid phases and were saturated with water. The solid phases are porous and solid glass beads exhibiting a distinctly unimodal or bimodal pore size distribution. Experimental breakthrough curves (BTCs) are modelled with the CDE, a bicontinuum model with a phenomenological mass transfer rate and a bicontinuum spherical diffusion model. Experiments are also done in columns that are unsaturated containing porous materials that are layered. Flow is made at a steady rate. It is shown that layer boundaries have a severe influence on lateral mixing. They may force streamlines to converge or cause a lateral redistribution of solutes. (author) figs., tabs., 122 refs
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
Energy Technology Data Exchange (ETDEWEB)
Molinero, J.; Samper, J.
2003-07-01
Several countries around the world are considering the final disposal of high-level radioactive waste in deep repositories located in fractured granite formations. Evaluating the long term safety of such repositories requires sound conceptual and numerical models which must consider simultaneously groundwater flow, solute transport and chemical and radiological processes. These models are being developed from data and knowledge gained from in situ experiments carried out at deep underground laboratories such as that of Aspo, Sweden, constructed in fractured granite. The Redox Zone Experiment is one of such experiments performed at Aspo in order to evaluate the effects of the construction of the access tunnel on the hydrogeological and hydrochemical conditions of a fracture zone intersected by the tunnel. Previous authors interpreted hydrochemical and isotopic data of this experiment using a mass-balance approach based on a qualitative description of groundwater flow conditions. Such an interpretation, however, is subject to uncertainties related to an over-simplified conceptualization of groundwater flow. Here we present numerical models of groundwater flow and solute transport for this fracture zone. The first model is based on previously published conceptual model. It presents noticeable un consistencies and fails to match simultaneously observed draw downs and chloride breakthrough curves. To overcome its limitations, a revised flow and transport model is presented which relies directly on available hydrodynamic and transport parameters, is based on the identification of appropriate flow and transport boundary conditions and uses, when needed, solute data extrapolated from nearby fracture zones. A significant quantitative improvement is achieved with the revised model because its results match simultaneously drawdown and chloride data. Other improvements are qualitative and include: ensuring consistency of hydrodynamic and hydrochemical data and avoiding
Zehe, E.; Klaus, J.
2011-12-01
Rapid flow in connected preferential flow paths is crucial for fast transport of water and solutes through soils, especially at tile drained field sites. The present study tests whether an explicit treatment of worm burrows is feasible for modeling water flow, bromide and pesticide transport in structured heterogeneous soils with a 2-dimensional Richards based model. The essence is to represent worm burrows as morphologically connected paths of low flow resistance and low retention capacity in the spatially highly resolved model domain. The underlying extensive database to test this approach was collected during an irrigation experiment, which investigated transport of bromide and the herbicide Isoproturon at a 900 sqm tile drained field site. In a first step we investigated whether the inherent uncertainty in key data causes equifinality i.e. whether there are several spatial model setups that reproduce tile drain event discharge in an acceptable manner. We found a considerable equifinality in the spatial setup of the model, when key parameters such as the area density of worm burrows and the maximum volumetric water flows inside these macropores were varied within the ranges of either our measurement errors or measurements reported in the literature. Thirteen model runs yielded a Nash-Sutcliffe coefficient of more than 0.9. Also, the flow volumes were in good accordance and peak timing errors where less than or equal to 20 min. In the second step we investigated thus whether this "equifinality" in spatial model setups may be reduced when including the bromide tracer data into the model falsification process. We simulated transport of bromide for the 13 spatial model setups, which performed best with respect to reproduce tile drain event discharge, without any further calibration. Four of this 13 model setups allowed to model bromide transport within fixed limits of acceptability. Parameter uncertainty and equifinality could thus be reduced. Thirdly, we selected
International Nuclear Information System (INIS)
Frick, U.
1995-01-01
The safety assessment of radioactive waste repositories is to provide confidence that the predictive models utilized are applicable for the specific repository systems. Nagra has carried out radionuclide migration experiments at the Grimsel underground test site (Switzerland) for testing of currently used methodologies, data bases, conceptual approaches and codes for modeling radionuclide transport through fractured host rocks. Specific objectives included: identification of the relevant transport processes, to test the extrapolation of laboratory sorption data to field conditions, and to demonstrate the applicability of currently used methodology for conceptualizing or building realistic transport models. Field tests and transport modeling work are complemented by an extensive laboratory program. The field experimental activities focused predominantly on establishing appropriate conditions for identifying relevant transport mechanisms on the scale of a few meters, aiming at full recovery of injected tracers, simple geometry and long-term stability of induced dipole flow fields. A relatively simple homogeneous, dual-porosity advection/diffusion model was built with input from a state of the art petrographic characterisation of the water conducting feature. It was possible to calibrate the model from conservative tracer breakthrough curves. (J.S.). 21 refs., 14 figs., 4 tabs
Schuff, M M; Gore, J P; Nauman, E A
2013-12-01
The treatment of cancerous tumors is dependent upon the delivery of therapeutics through the blood by means of the microcirculation. Differences in the vasculature of normal and malignant tissues have been recognized, but it is not fully understood how these differences affect transport and the applicability of existing mathematical models has been questioned at the microscale due to the complex rheology of blood and fluid exchange with the tissue. In addition to determining an appropriate set of governing equations it is necessary to specify appropriate model parameters based on physiological data. To this end, a two stage sensitivity analysis is described which makes it possible to determine the set of parameters most important to the model's calibration. In the first stage, the fluid flow equations are examined and a sensitivity analysis is used to evaluate the importance of 11 different model parameters. Of these, only four substantially influence the intravascular axial flow providing a tractable set that could be calibrated using red blood cell velocity data from the literature. The second stage also utilizes a sensitivity analysis to evaluate the importance of 14 model parameters on extravascular flux. Of these, six exhibit high sensitivity and are integrated into the model calibration using a response surface methodology and experimental intra- and extravascular accumulation data from the literature (Dreher et al. in J Natl Cancer Inst 98(5):335-344, 2006). The model exhibits good agreement with the experimental results for both the mean extravascular concentration and the penetration depth as a function of time for inert dextran over a wide range of molecular weights.
Wang, W.; Oswald, S. E.; Munz, M.; Strasser, D.
2017-12-01
Bank filtration is widely used either as main- or pre-treatment process for water supply. The colmation of the river bottom as interface to groundwater plays a key role for hydraulic control of flow paths and location of several beneficial attenuation processes, such as pathogen filtration, mixing, biodegradation and sorption. Along the flow path, mixing happens between the `young' infiltrated water and ambient `old' groundwater. To clarify the mechanisms and their interaction, modelling is often used for analysing spatial and temporal distribution of the travelling time, quantifying mixing ratios, and estimating the biochemical reaction rates. As the most comprehensive tool, 2-D or 3-D spatially-explicit modelling is used in several studies, and for area with geological heterogeneity, the adaptation of different natural tracers could constrain the model in respect to model non-uniqueness and improve the interpretation of the flow field. In our study, we have evaluated the influence of a river excavation and bank reconstruction project on the groundwater-surface water exchange at a bank filtration site. With data from years of field site monitoring, we could include besides heads and temperature also the analysis of stable isotope data and ions to differentiate between infiltrated water and groundwater. Thus, we have set up a 3-D transient heat and mass transport groundwater model, taking the strong local geological heterogeneity into consideration, especially between river and water work wells. By transferring the effect of the river excavation into a changing hydraulic conductivity of the riverbed, model could be calibrated against both water head and temperature time-series observed. Finally, electrical conductivity dominated by river input was included as quasi-conservative tracer. The `triple' calibrated, transient model was then used to i) understand the flow field and quantify the long term changes in infiltration rate and distribution brought by the
Jakob, Andreas; Mazurek, Martin; Heer, Walter
2003-03-01
Based on the results from detailed structural and petrological characterisation and on up-scaled laboratory values for sorption and diffusion, blind predictions were made for the STT1 dipole tracer test performed in the Swedish Äspö Hard Rock Laboratory. The tracers used were nonsorbing, such as uranine and tritiated water, weakly sorbing 22Na +, 85Sr 2+, 47Ca 2+and more strongly sorbing 86Rb +, 133Ba 2+, 137Cs +. Our model consists of two parts: (1) a flow part based on a 2D-streamtube formalism accounting for the natural background flow field and with an underlying homogeneous and isotropic transmissivity field and (2) a transport part in terms of the dual porosity medium approach which is linked to the flow part by the flow porosity. The calibration of the model was done using the data from one single uranine breakthrough (PDT3). The study clearly showed that matrix diffusion into a highly porous material, fault gouge, had to be included in our model evidenced by the characteristic shape of the breakthrough curve and in line with geological observations. After the disclosure of the measurements, it turned out that, in spite of the simplicity of our model, the prediction for the nonsorbing and weakly sorbing tracers was fairly good. The blind prediction for the more strongly sorbing tracers was in general less accurate. The reason for the good predictions is deemed to be the result of the choice of a model structure strongly based on geological observation. The breakthrough curves were inversely modelled to determine in situ values for the transport parameters and to draw consequences on the model structure applied. For good fits, only one additional fracture family in contact with cataclasite had to be taken into account, but no new transport mechanisms had to be invoked. The in situ values for the effective diffusion coefficient for fault gouge are a factor of 2-15 larger than the laboratory data. For cataclasite, both data sets have values comparable to
Santos, Juliana; Künne, Annika; Kralisch, Sven; Fink, Manfred; Brenning, Alexander
2016-04-01
The Muriaé River basin in SE Brazil has been experiencing an increasing pressure on water resources, due to the population growth of the Rio de Janeiro urban area connected with the growth of the industrial and agricultural sector. This leads to water scarcity, riverine forest degradation, soil erosion and water quality problems among other impacts. Additionally the region has been suffering with seasonal precipitation variations leading to extreme events such as droughts, floods and landslides. Climate projections for the near future indicate a high inter-annual variability of rainfall with an increase in the frequency and intensity of heavy rainfall events combined with a statistically significant increase in the duration of dry periods and a reduced duration of wet periods. This may lead to increased soil erosion during the wet season, while the longer dry periods may reduce the vegetation cover, leaving the soil even more exposed and vulnerable to soil erosion. In consequence, it is crucial to understand how climate affects the interaction between the timing of extreme rainfall events, hydrological processes, vegetation growth, soil cover and soil erosion. In this context, physically-based hydrological modelling can contribute to a better understanding of spatial-temporal process dynamics in the Earth's system and support Integrated Water Resourses Management (IWRM) and adaptation strategies. The study area is the Muriaé river basin which has an area of approx. 8000 km² in Minas Gerais and Rio de Janeiro States. The basin is representative of a region of domain of hillslopes areas with the predominancy of pasture for livestock production. This study will present some of the relevant analyses which have been carried out on data (climate and streamflow) prior to using them for hydrological modelling, including consistency checks, homogeneity, pattern and statistical analyses, or annual and seasonal trends detection. Several inconsistencies on the raw data were
International Nuclear Information System (INIS)
McEwen, T.J.; Chapman, N.A.; Robinson, P.C.
1990-08-01
This report describes the data requirements for the codes that may be used in the modelling of groundwater flow and radionuclide transport during the assessment of a Nirex site for the deep disposal of low and intermediate level radioactive waste and also the site investigation methods that exist to supply the data for these codes. The data requirements for eight codes are reviewed, with most emphasis on three of the more significant codes, VANDAL, NAMMU and CHEMTARD. The largest part of the report describes and discusses the site investigation techniques and each technique is considered in terms of its ability to provide the data necessary to characterise the geological and hydrogeological environment around a potential repository. (author)
Control and optimization of solute transport in a thin porous tube
Griffiths, I. M.; Howell, P. D.; Shipley, R. J.
2013-01-01
differentials upon the dispersive solute behaviour are investigated. The model is used to explore the control of solute transport across the membrane walls via the membrane permeability, and a parametric expression for the permeability required to generate a
Modelling multicomponent solute transport in structured soils
Beinum, van G.W.
2007-01-01
The mobility of contaminants in soil is an important factor in determining their ability to spread into the wider environment. For non-volatile substances, transport within the soil is generally dominated by transport of dissolved fractions in the soil water phase, via either diffusion or
A single continuum approximation of the solute transport in fractured porous media
International Nuclear Information System (INIS)
Jeong, J.T.; Lee, K.J.
1992-01-01
Solute transport in fractured porous media is described by the single continuum model, i.e., equivalent porous medium model. In this model, one-dimensional solute transport in the fracture and two-dimensional solute transport in the porous rock matrix is considered. The network of fractures embedded in the porous rock matrix is idealized as two orthogonally intersecting families of equally spaced, parallel fractures directed at 45 o to the regional groundwater flow direction. Governing equations are solved by the finite element method, and an upstream weighting technique is used in order to prevent the oscillation of the solution in the case of highly advection dominated transport. Breakthrough curves, similar to those of the one-dimensional solute transport problem in ordinary porous media, are obtained as a function of time according to volume or flux averaging of the concentration profile across the width of the flow region. The equivalent parameters, i.e., porosity and overall coefficient of longitudinal dispersivity, are obtained by a trial-and-error method. Analyses for the non-sorbing solute transport case show that within the range of considered parameters, and except for the region very close to the source, application of the single continuum model in the idealized fracture system is sufficient for modeling solute transport in fractured porous media. This numerical scheme is shown to be applicable to a sorbing solute and radionuclide transport. (author)
Solute transport in fractured rock - applications to radionuclide waste repositories
International Nuclear Information System (INIS)
Neretnieks, I.
1990-12-01
Flow and solute transport in fractured rocks has been intensively studied in the last decade. The increased interest is mainly due to the plans in many countries to site repositories for high level nuclear waste in deep geologic formations. All investigated crystalline rocks have been found to be fractured and most of the water flows in the fractures and fracture zones. The water transports dissolved species and radionuclides. It is thus of interest to be able to understand and to do predictive modelling of the flowrate of water, the flowpaths and the residence times of the water and of the nuclides. The dissolved species including the nuclides will interact with the surrounding rock in different ways and will in many cases be strongly retarded relative to the water velocity. Ionic species may be ion exchanged or sorbed in the mineral surfaces. Charges and neutral species may diffuse into the stagnant waters in the rock matrix and thus be withdrawn from the mobile water. These effects will be strongly dependent on how much rock surface is in contact with the flowing water. It has been found in a set of field experiments and by other observations that not all fractures conduct water. Furthermore it is found that conductive fractures only conduct the water in a small part of the fracture in what is called channels or preferential flowpaths. This report summarizes the present concepts of water flow and solute transport in fractured rocks. The data needs for predictive modelling are discussed and both field and laboratory measurement which have been used to obtain data are described. Several large scale field experiments which have been specially designed to study flow and tracer transport in crystalline rocks are described. In many of the field experients new techniques have been developed and used. (81 refs.) (author)
One-dimensional spatially dependent solute transport in semi ...
African Journals Online (AJOL)
Initially porous domain is considered solute free and the input source condition is ... parameters for description of solute transport in porous media. ... flow assuming uniform initial concentration with first and third type boundary conditions. Aral.
Fluid and solute transport in a network of channels
International Nuclear Information System (INIS)
Moreno, L.; Neretnieks, I.
1991-09-01
A three-dimensional channel network model is presented. The fluid flow and solute transport are assumed to take place through a network of connected channels. The channels are generated assuming that the conductances are lognormally distributed. The flow is calculated resolving the pressure distribution and the sole transport is calculated by using a particle tracking technique. The model includes diffusion into the rock matrix and sorption within the matrix in addition to advection along the channel network. Different approaches are used to describe the channel volume and its relation to the conductivity. To quantify the diffusion into the rock matrix the size of the flow wetted surface (contact surface between the channel and the rock) is needed in addition to the diffusion properties and the sorption capacity of the rock. Two different geometries were simulated: regional parallel flow and convergent flow toward a tunnel. In the generation of the channel network, it is found that its connectivity is reduced when the standard deviation in conductances is increased. For large standard deviations, the water conducting channels are found to be few. Standard deviations for the distribution of the effluent channel flowrates were calculated. Comparisons were made with experimental data from drifts and tunnels as well as boreholes as a means to validate the model. (au) (31 refs.)
Effects of turbulent hyporheic mixing on reach-scale solute transport
Roche, K. R.; Li, A.; Packman, A. I.
2017-12-01
Turbulence rapidly mixes solutes and fine particles into coarse-grained streambeds. Both hyporheic exchange rates and spatial variability of hyporheic mixing are known to be controlled by turbulence, but it is unclear how turbulent mixing influences mass transport at the scale of stream reaches. We used a process-based particle-tracking model to simulate local- and reach-scale solute transport for a coarse-bed stream. Two vertical mixing profiles, one with a smooth transition from in-stream to hyporheic transport conditions and a second with enhanced turbulent transport at the sediment-water interface, were fit to steady-state subsurface concentration profiles observed in laboratory experiments. The mixing profile with enhanced interfacial transport better matched the observed concentration profiles and overall mass retention in the streambed. The best-fit mixing profiles were then used to simulate upscaled solute transport in a stream. Enhanced mixing coupled in-stream and hyporheic solute transport, causing solutes exchanged into the shallow subsurface to have travel times similar to the water column. This extended the exponential region of the in-stream solute breakthrough curve, and delayed the onset of the heavy power-law tailing induced by deeper and slower hyporheic porewater velocities. Slopes of observed power-law tails were greater than those predicted from stochastic transport theory, and also changed in time. In addition, rapid hyporheic transport velocities truncated the hyporheic residence time distribution by causing mass to exit the stream reach via subsurface advection, yielding strong exponential tempering in the in-stream breakthrough curves at the timescale of advective hyporheic transport through the reach. These results show that strong turbulent mixing across the sediment-water interface violates the conventional separation of surface and subsurface flows used in current models for solute transport in rivers. Instead, the full distribution of
Electrolyte solution transport in electropolar nanotubes
International Nuclear Information System (INIS)
Zhao Jianbing; Culligan, Patricia J; Chen Xi; Qiao Yu; Zhou Qulan; Li Yibing; Tak, Moonho; Park, Taehyo
2010-01-01
Electrolyte transport in nanochannels plays an important role in a number of emerging areas. Using non-equilibrium molecular dynamics (NEMD) simulations, the fundamental transport behavior of an electrolyte/water solution in a confined model nanoenvironment is systematically investigated by varying the nanochannel dimension, solid phase, electrolyte phase, ion concentration and transport rate. It is found that the shear resistance encountered by the nanofluid strongly depends on these material/system parameters; furthermore, several effects are coupled. The mechanisms of the nanofluidic transport characteristics are explained by considering the unique molecular/ion structure formed inside the nanochannel. The lower shear resistance observed in some of the systems studies could be beneficial for nanoconductors, while the higher shear resistance (or higher effective viscosity) observed in other systems might enhance the performance of energy dissipation devices.
Hydrogeochemistry and simulated solute transport, Piceance Basin, northwestern Colorado
Robson, S.G.; Saulnier, G.J.
1981-01-01
Oil-shale mining activities in Piceance basin in northwestern Colorado could adversely affect the ground- and surface-water quality in the basin. This study of the hydrology and geochemistry of the area used ground-water solute-transport-modeling techniques to investigate the possible impact of the mines on water quality. Maps of the extent and structure of the aquifer were prepared and show that a saturated thickness of 2,000 feet occurs in the northeast part of the basin. Ground-water recharge in the upland areas in the east, south, and west parts of the basin moves down into deeper zones in the aquifer and laterally to the discharge areas along Piceance and Yellow Creeks. The saline zone and the unsaturated zone provide the majority of the dissolved solids found in the ground water. Precipitation, ion-exchange, and oxidation-reduction reactions are also occuring in the aquifer. Model simulations of ground-water pumpage in tracts C-a and C-b indicate that the altered direction of ground-water movement near the pumped mines will cause an improvement in ground-water quality near the mines and a degradation of water quality downgradient from the tracts. Model simulations of mine leaching in tract C-a and C-b indicate that equal rates of mine leaching in the tracts will produce much different effects on the water quality in the basin. Tract C-a, by virtue of its remote location from perennial streams, will primarily degrade the ground-water quality over a large area to the northeast of the tract. Tract C-b, by contrast, will primarily degrade the surface-water quality in Piceance Creek, with only localized effects on the ground-water quality. (USGS)
International Nuclear Information System (INIS)
Rockhold, M.L.
1993-02-01
A field-scale, unsaturated flow and solute transport experiment at the Las Cruces trench site in New Mexico was simulated as part of a ''blind'' modeling exercise to demonstrate the ability or inability of uncalibrated models to predict unsaturated flow and solute transport in spatially variable porous media. Simulations were conducted using a recently developed multiphase flow and transport simulator. Uniform and heterogeneous soil models were tested, and data from a previous experiment at the site were used with an inverse procedure to estimate water retention parameters. A spatial moment analysis was used to provide a quantitative basis for comparing the mean observed and simulated flow and transport behavior. The results of this study suggest that defensible predictions of waste migration and fate at low-level waste sites will ultimately require site-specific data for model calibration
Scaling and predicting solute transport processes in streams
R. González-Pinzón; R. Haggerty; M. Dentz
2013-01-01
We investigated scaling of conservative solute transport using temporal moment analysis of 98 tracer experiments (384 breakthrough curves) conducted in 44 streams located on five continents. The experiments span 7 orders of magnitude in discharge (10-3 to 103 m3/s), span 5 orders of magnitude in...
VS2DRTI: Simulating Heat and Reactive Solute Transport in Variably Saturated Porous Media.
Healy, Richard W; Haile, Sosina S; Parkhurst, David L; Charlton, Scott R
2018-01-29
Variably saturated groundwater flow, heat transport, and solute transport are important processes in environmental phenomena, such as the natural evolution of water chemistry of aquifers and streams, the storage of radioactive waste in a geologic repository, the contamination of water resources from acid-rock drainage, and the geologic sequestration of carbon dioxide. Up to now, our ability to simulate these processes simultaneously with fully coupled reactive transport models has been limited to complex and often difficult-to-use models. To address the need for a simple and easy-to-use model, the VS2DRTI software package has been developed for simulating water flow, heat transport, and reactive solute transport through variably saturated porous media. The underlying numerical model, VS2DRT, was created by coupling the flow and transport capabilities of the VS2DT and VS2DH models with the equilibrium and kinetic reaction capabilities of PhreeqcRM. Flow capabilities include two-dimensional, constant-density, variably saturated flow; transport capabilities include both heat and multicomponent solute transport; and the reaction capabilities are a complete implementation of geochemical reactions of PHREEQC. The graphical user interface includes a preprocessor for building simulations and a postprocessor for visual display of simulation results. To demonstrate the simulation of multiple processes, the model is applied to a hypothetical example of injection of heated waste water to an aquifer with temperature-dependent cation exchange. VS2DRTI is freely available public domain software. © 2018, National Ground Water Association.
Limit Theorems and Their Relation to Solute Transport in Simulated Fractured Media
Reeves, D. M.; Benson, D. A.; Meerschaert, M. M.
2003-12-01
Solute particles that travel through fracture networks are subject to wide velocity variations along a restricted set of directions. This may result in super-Fickian dispersion along a few primary scaling directions. The fractional advection-dispersion equation (FADE), a modification of the original advection-dispersion equation in which a fractional derivative replaces the integer-order dispersion term, has the ability to model rapid, non-Gaussian solute transport. The FADE assumes that solute particle motions converge to either α -stable or operator stable densities, which are modeled by spatial fractional derivatives. In multiple dimensions, the multi-fractional dispersion derivative dictates the order and weight of differentiation in all directions, which correspond to the statistics of large particle motions in all directions. This study numerically investigates the presence of super- Fickian solute transport through simulated two-dimensional fracture networks. An ensemble of networks is gen
Implementation of Solute Transport in the Vadose Zone into the `HYDRUS Package for MODFLOW'
Simunek, J.; Beegum, S.; Szymkiewicz, A.; Sudheer, K. P.
2017-12-01
The 'HYDRUS package for MODFLOW' was developed by Seo et al. (2007) and Twarakavi et al. (2008) to simultaneously evaluate transient water flow in both unsaturated and saturated zones. The package, which is based on the HYDRUS-1D model (Šimůnek et al., 2016) simulating unsaturated water flow in the vadose zone, was incorporated into MODFLOW (Harbaugh et al., 2000) simulating saturated groundwater flow. The HYDRUS package in the coupled model can be used to represent the effects of various unsaturated zone processes, including infiltration, evaporation, root water uptake, capillary rise, and recharge in homogeneous or layered soil profiles. The coupled model is effective in addressing spatially-variable saturated-unsaturated hydrological processes at the regional scale, allowing for complex layering in the unsaturated zone, spatially and temporarily variable water fluxes at the soil surface and in the root zone, and with alternating recharge and discharge fluxes (Twarakavi et al., 2008). One of the major limitations of the coupled model was that it could not be used to simulate at the same time solute transport. However, solute transport is highly dependent on water table fluctuations due to temporal and spatial variations in groundwater recharge. This is an important concern when the coupled model is used for analyzing groundwater contamination due to transport through the unsaturated zone. The objective of this study is to integrate the solute transport model (the solute transport part of HYDRUS-1D for the unsaturated zone and MT3DMS (Zheng and Wang, 1999; Zheng, 2009) for the saturated zone) into an existing coupled water flow model. The unsaturated zone component of the coupled model can consider solute transport involving many biogeochemical processes and reactions, including first-order degradation, volatilization, linear or nonlinear sorption, one-site kinetic sorption, two-site sorption, and two-kinetic sites sorption (Šimůnek and van Genuchten, 2008
Den Buijs, Jorn Op; Dragomir-Daescu, Dan; Ritman, Erik L
2009-08-01
Nutrient supply and waste removal in porous tissue engineering scaffolds decrease from the periphery to the center, leading to limited depth of ingrowth of new tissue into the scaffold. However, as many tissues experience cyclic physiological strains, this may provide a mechanism to enhance solute transport in vivo before vascularization of the scaffold. The hypothesis of this study was that pore cross-sectional geometry and interconnectivity are of major importance for the effectiveness of cyclic deformation-induced solute transport. Transparent elastic polyurethane scaffolds, with computer-programmed design of pore networks in the form of interconnected channels, were fabricated using a 3D printing and injection molding technique. The scaffold pores were loaded with a colored tracer for optical contrast, cyclically compressed with deformations of 10 and 15% of the original undeformed height at 1.0 Hz. Digital imaging was used to quantify the spatial distribution of the tracer concentration within the pores. Numerical simulations of a fluid-structure interaction model of deformation-induced solute transport were compared to the experimental data. The results of experiments and modeling agreed well and showed that pore interconnectivity heavily influences deformation-induced solute transport. Pore cross-sectional geometry appears to be of less relative importance in interconnected pore networks. Validated computer models of solute transport can be used to design optimal scaffold pore geometries that will enhance the convective transport of nutrients inside the scaffold and the removal of waste, thus improving the cell survivability deep inside the scaffold.
Determination of chemical solute transport parameters effecting radiostrontium interbed sediments
International Nuclear Information System (INIS)
Hemming, C.; Bunde, R.L.; Rosentreter, J.J.
1993-01-01
The extent to which radionuclides migrate in an aquifer system is a function of various physical, chemical, and biological processes. A measure of this migration rate is of primary concern when locating suitable storage sites for such species. Parameters including water-rock interactions, infiltration rates, chemical phase modification, and biochemical reactions all affect solute transport. While these different types of chemical reactions can influence solute transport in subsurface waters, distribution coefficients (Kd) can be send to effectively summarize the net chemical factors which dictate transport efficiency. This coefficient describes the partitioning of the solute between the solution and solid phase. Methodology used in determining and interpreting the distribution coefficient for radiostrontium in well characterized sediments will be presented
Prolonged river water pollution due to variable-density flow and solute transport in the riverbed
Jin, Guangqiu; Tang, Hongwu; Li, Ling; Barry, D. A.
2015-04-01
A laboratory experiment and numerical modeling were used to examine effects of density gradients on hyporheic flow and solute transport under the condition of a solute pulse input to a river with regular bed forms. Relatively low-density gradients due to an initial salt pulse concentration of 1.55 kg m-3 applied in the experiment were found to modulate significantly the pore-water flow and solute transport in the riverbed. Such density gradients increased downward flow and solute transport in the riverbed by factors up to 1.6. This resulted in a 12.2% increase in the total salt transfer from the water column to the riverbed over the salt pulse period. As the solute pulse passed, the effect of the density gradients reversed, slowing down the release of the solute back to the river water by a factor of 3.7. Numerical modeling indicated that these density effects intensified as salt concentrations in the water column increased. Simulations further showed that the density gradients might even lead to unstable flow and result in solute fingers in the bed of large bed forms. The slow release of solute from the bed back to the river led to a long tail of solute concentration in the river water. These findings have implications for assessment of impact of pollution events on river systems, in particular, long-term effects on both the river water and riverbed due to the hyporheic exchange.
New numerical method for solving the solute transport equation
International Nuclear Information System (INIS)
Ross, B.; Koplik, C.M.
1978-01-01
The solute transport equation can be solved numerically by approximating the water flow field by a network of stream tubes and using a Green's function solution within each stream tube. Compared to previous methods, this approach permits greater computational efficiency and easier representation of small discontinuities, and the results are easier to interpret physically. The method has been used to study hypothetical sites for disposal of high-level radioactive waste
Solute transport across the articular surface of injured cartilage.
Chin, Hooi Chuan; Moeini, Mohammad; Quinn, Thomas M
2013-07-15
Solute transport through extracellular matrix (ECM) is important to physiology and contrast agent-based clinical imaging of articular cartilage. Mechanical injury is likely to have important effects on solute transport since it involves alteration of ECM structure. Therefore it is of interest to characterize effects of mechanical injury on solute transport in cartilage. Using cartilage explants injured by an established mechanical compression protocol, effective partition coefficients and diffusivities of solutes for transport across the articular surface were measured. A range of fluorescent solutes (fluorescein isothiocyanate, 4 and 40kDa dextrans, insulin, and chondroitin sulfate) and an X-ray contrast agent (sodium iodide) were used. Mechanical injury was associated with a significant increase in effective diffusivity versus uninjured explants for all solutes studied. On the other hand, mechanical injury had no effects on effective partition coefficients for most solutes tested, except for 40kDa dextran and chondroitin sulfate where small but significant changes in effective partition coefficient were observed in injured explants. Findings highlight enhanced diffusive transport across the articular surface of injured cartilage, which may have important implications for injury and repair situations. Results also support development of non-equilibrium methods for identification of focal cartilage lesions by contrast agent-based clinical imaging. Copyright © 2013 Elsevier Inc. All rights reserved.
Linear source approximation scheme for method of characteristics
International Nuclear Information System (INIS)
Tang Chuntao
2011-01-01
Method of characteristics (MOC) for solving neutron transport equation based on unstructured mesh has already become one of the fundamental methods for lattice calculation of nuclear design code system. However, most of MOC codes are developed with flat source approximation called step characteristics (SC) scheme, which is another basic assumption for MOC. A linear source (LS) characteristics scheme and its corresponding modification for negative source distribution were proposed. The OECD/NEA C5G7-MOX 2D benchmark and a self-defined BWR mini-core problem were employed to validate the new LS module of PEACH code. Numerical results indicate that the proposed LS scheme employs less memory and computational time compared with SC scheme at the same accuracy. (authors)
Energy Technology Data Exchange (ETDEWEB)
Geiger, S.; Cortis, A.; Birkholzer, J.T.
2010-04-01
Solute transport in fractured porous media is typically 'non-Fickian'; that is, it is characterized by early breakthrough and long tailing and by nonlinear growth of the Green function-centered second moment. This behavior is due to the effects of (1) multirate diffusion occurring between the highly permeable fracture network and the low-permeability rock matrix, (2) a wide range of advection rates in the fractures and, possibly, the matrix as well, and (3) a range of path lengths. As a consequence, prediction of solute transport processes at the macroscale represents a formidable challenge. Classical dual-porosity (or mobile-immobile) approaches in conjunction with an advection-dispersion equation and macroscopic dispersivity commonly fail to predict breakthrough of fractured porous media accurately. It was recently demonstrated that the continuous time random walk (CTRW) method can be used as a generalized upscaling approach. Here we extend this work and use results from high-resolution finite element-finite volume-based simulations of solute transport in an outcrop analogue of a naturally fractured reservoir to calibrate the CTRW method by extracting a distribution of retention times. This procedure allows us to predict breakthrough at other model locations accurately and to gain significant insight into the nature of the fracture-matrix interaction in naturally fractured porous reservoirs with geologically realistic fracture geometries.
Water flow and solute transport in floating fen root mats
Stofberg, Sija F.; EATM van der Zee, Sjoerd
2015-04-01
be very similar and likely functionally related. Our experimental field data were used for modelling water flow and solute transport in floating fens, using HYDRUS 2D. Fluctuations of surface water and root mat, as well as geometry and unsaturated zone parameters can have a major influence on groundwater fluctuations and the exchange between rain and surface water and the water in the root mats. In combination with the duration of salt pulses in surface water, and sensitivity of fen plants to salinity (Stofberg et al. 2014, submitted), risks for rare plants can be anticipated.
Soil properties and preferential solute transport at the field scale
DEFF Research Database (Denmark)
Koestel, J K; Minh, Luong Nhat; Nørgaard, Trine
An important fraction of water flow and solute transport through soil takes place through preferential flow paths. Although this had been already observed in the nineteenth century, it had been forgotten by the scientific community until it was rediscovered during the 1970s. The awareness...... of the relevance of preferential flow was broadly re-established in the community by the early 1990s. However, since then, the notion remains widespread among soil scientists that the occurrence and strength of preferential flow cannot be predicted from measurable proxy variables such as soil properties or land...
Convergence analysis of CMADR acceleration for the method of characteristics
International Nuclear Information System (INIS)
Park, Young Ryong; Cho, Nam Zin
2005-01-01
As the nuclear reactor core becomes more complex, heterogeneous, and geometrically irregular, the method of characteristics (MOC) is gaining its wide use in the neutron transport calculations. However, the long computer times require good acceleration methods. In our previous paper, the concept of coarse-mesh angular dependent rebalance (CMADR) acceleration was described and applied to the MOC calculations. The method is based on angular dependent rebalance factors defined on the coarse-mesh boundaries; a coarse-mesh consists of several fine meshes that may be (1) heterogeneous and (2) of mixed geometries with irregular or unstructured mesh shapes. In addition, (3) the coarse-mesh boundaries may not coincide with the structural interfaces of the problem and can be chosen artificially for convenience. The CMADR acceleration method on the MOC scheme that enables the very desirable features (1), (2), and (3) above is new in the neutron transport literature to the best of the authors knowledge. In this paper, we analyze the convergence of CMADR acceleration for MOC calculation in x-y-z (infinite) geometry by using Fourier analysis
Energy Technology Data Exchange (ETDEWEB)
Geier, Joel (Clearwater Hardrock Consulting, Corvallis, OR (US))
2008-03-15
Discrete-feature models were developed to represent the main classes of water-conducting features at the Laxemar and Forsmark candidate sites for a high-level radioactive waste repository. The models encompass features on scales ranging from individual fractures 2 m or larger in radius around deposition holes, or spalled zones around deposition holes and tunnels, to deformation zones on the scale of kilometres. Equivalent discontinuum features are used to represent the aggregate properties of fractures outside of the vicinity of deposition holes where an explicit representation is used. Deposition hole locations within the repository layout are conditioned to each stochastic realization of the discrete-fracture population, using a full-perimeter-intersection criterion to identify discriminating fractures that pose a seismic risk, and a simulated pilot-hole criterion to exclude deposition-hole locations with excessive flows. The utilization factors of 0.70 obtained here for the full repository at Forsmark and = 0.53 for the full repository at Laxemar are significantly lower than the corresponding values = 0.93 and 0.88 for the most nearly comparable case presented in the SR-Can Main Report. Further investigation is needed to discern whether this discrepancy is primarily due to possible nonconservative assumptions in SKB's analytical modelling approach, or due to artefacts of the simulation approach using finite domains, which could lead to overly conservative values in the present study. Flows through the discrete-feature model variants are calculated by finite-element simulation. Distributions of flows to deposition holes are presented for the Laxemar base case and for an initial suite of variants for Forsmark. Results for Forsmark indicate that the distribution of flow to deposition holes is robust with respect to the set of variants considered, and that a given single realization of the discrete-fracture network (DFN) submodel produces representative results
Directory of Open Access Journals (Sweden)
Marcus M. Corrêa
2006-03-01
Full Text Available As equações diferenciais do movimento de água e do transporte de soluto em solo não saturado, considerando-se a existência de extração pela planta, foram resolvidas utilizando a técnica diferenças finitas. Para a implementação do modelo desenvolveu-se um programa em linguagem Delphi, denominado SIMASS-C - SImulação do Movimento de Água e Soluto no Solo, considerando-se a presença de Cultura. O modelo fornece, em diferentes tempos, os valores de umidade, do potencial matricial, do fluxo da água e da concentração de soluto ao longo do perfil do solo. Obtém-se, ainda, como resultados de saída, o crescimento e a densidade das raízes, o índice de área foliar e a evapotranspiração da cultura. Para testar o modelo desenvolvido conduziu-se um experimento em casa de vegetação, onde 42 colunas de solo foram montadas em tubo de PVC rígido. Em cada coluna, a cultura do milho foi semeada e durante 30 dias após a germinação, a umidade do solo e o desenvolvimento da cultura foram monitorados. Os resultados experimentais mostraram, ao nível de probabilidade de 90%, que o modelo SIMASS-C foi preciso em simular o transporte de água no solo.The differential equations that govern the water flow and the solute transport in an unsaturated soil, considering the water extraction by plants were solved using the finite difference method. A computer model named SIMASS-C (Simulation of the water and solute transport in the soil considering water extraction was developed using Delphi language. The model allows to calculate the water content, matric potential, water flux and solute concentration through the soil profile. Besides that, the model output gives the growth and the density of the roots, the leaf area index and the crop evapotranspiration. To test the model, an experiment was conducted in a green house using 42 soil columns made of PVC tubes. In each column, corn was seeded and during 30 days after the emergence the soil water
Singha, Kamini; Li, Li; Day-Lewis, Frederick D.; Regberg, Aaron B.
2012-01-01
The concept of a nonreactive or conservative tracer, commonly invoked in investigations of solute transport, requires additional study in the context of electrical geophysical monitoring. Tracers that are commonly considered conservative may undergo reactive processes, such as ion exchange, thus changing the aqueous composition of the system. As a result, the measured electrical conductivity may reflect not only solute transport but also reactive processes. We have evaluated the impacts of ion exchange reactions, rate-limited mass transfer, and surface conduction on quantifying tracer mass, mean arrival time, and temporal variance in laboratory-scale column experiments. Numerical examples showed that (1) ion exchange can lead to resistivity-estimated tracer mass, velocity, and dispersivity that may be inaccurate; (2) mass transfer leads to an overestimate in the mobile tracer mass and an underestimate in velocity when using electrical methods; and (3) surface conductance does not notably affect estimated moments when high-concentration tracers are used, although this phenomenon may be important at low concentrations or in sediments with high and/or spatially variable cation-exchange capacity. In all cases, colocated groundwater concentration measurements are of high importance for interpreting geophysical data with respect to the controlling transport processes of interest.
The use of non-dimensional representation of the solute transport equations
International Nuclear Information System (INIS)
Laurens, J.-M.
1988-07-01
This report presents the results obtained in a pilot investigation into the use of non-dimensional representations of the solute transport equations, so as to improve the efficiency of the PRA codes used by the DoE and its contractors. A reduced set of parameters was obtained for a single layer transport model. As expected, the response was shown to be highly sensitive on the new parameters. A faster convergence of the system was observed when the sampling technique used was changed to take into account the properties of the new parameters, such that uniform coverage of the reduced parameter hyperspace was achieved. (author)
An Experimental Study on Solute Transport in One-Dimensional Clay Soil Columns
Directory of Open Access Journals (Sweden)
Muhammad Zaheer
2017-01-01
Full Text Available Solute transport in low-permeability media such as clay has not been studied carefully up to present, and we are often unclear what the proper governing law is for describing the transport process in such media. In this study, we composed and analyzed the breakthrough curve (BTC data and the development of leaching in one-dimensional solute transport experiments in low-permeability homogeneous and saturated media at small scale, to identify key parameters controlling the transport process. Sodium chloride (NaCl was chosen to be the tracer. A number of tracer tests were conducted to inspect the transport process under different conditions. The observed velocity-time behavior for different columns indicated the decline of soil permeability when switching from tracer introducing to tracer flushing. The modeling approaches considered were the Advection-Dispersion Equation (ADE, Two-Region Model (TRM, Continuous Time Random Walk (CTRW, and Fractional Advection-Dispersion Equation (FADE. It was found that all the models can fit the transport process very well; however, ADE and TRM were somewhat unable to characterize the transport behavior in leaching. The CTRW and FADE models were better in capturing the full evaluation of tracer-breakthrough curve and late-time tailing in leaching.
Effects of Pisha sandstone content on solute transport in a sandy soil.
Zhen, Qing; Zheng, Jiyong; He, Honghua; Han, Fengpeng; Zhang, Xingchang
2016-02-01
In sandy soil, water, nutrients and even pollutants are easily leaching to deeper layers. The objective of this study was to assess the effects of Pisha sandstone on soil solute transport in a sandy soil. The miscible displacement technique was used to obtain breakthrough curves (BTCs) of Br(-) as an inert non-adsorbed tracer and Na(+) as an adsorbed tracer. The incorporation of Pisha sandstone into sandy soil was able to prevent the early breakthrough of both tracers by decreasing the saturated hydraulic conductivity compared to the controlled sandy soil column, and the impeding effects increased with Pisha sandstone content. The BTCs of Br(-) were accurately described by both the convection-dispersion equation (CDE) and the two-region model (T-R), and the T-R model fitted the experimental data slightly better than the CDE. The two-site nonequilibrium model (T-S) accurately fit the Na(+) transport data. Pisha sandstone impeded the breakthrough of Na(+) not only by decreasing the saturated hydraulic conductivity but also by increasing the adsorption capacity of the soil. The measured CEC values of Pisha sandstone were up to 11 times larger than those of the sandy soil. The retardation factors (R) determined by the T-S model increased with increasing Pisha sandstone content, and the partition coefficient (K(d)) showed a similar trend to R. According to the results of this study, Pisha sandstone can successfully impede solute transport in a sandy soil column. Copyright © 2015 Elsevier Ltd. All rights reserved.
Water flow and solute transport using environmental isotopes and modeling
International Nuclear Information System (INIS)
Hussein, M.F.
2001-01-01
The deep unsaturated zone may be a useful hydrological archive in desert environments characterized by scant or sporadic rainfall and slow percolation of rainwater over decades or even centuries. This moisture archive provides a useful way to distinguish the net downward flow of recharge water, whereas the isotopic composition and concentration of the conservative solutes of the preserved moisture could be used to reconstruct the history of recharge under the prevailing deficient water balance. The major advantage of such coupled approach is to obtain independent estimates of groundwater recharge rates which are normally difficult to evaluate using the hydrological methods applied in the temperate zones. The study was conducted in the Shiekh-Zoweid/Raffa area in the northeastern coastal strip of Sinai Peninsula. Bore-holes were dry-drilled in a line perpendicular to the sea shoreline (using an 8-inch diameter hand-operated rotary rig) for the unsaturated sediment collection from successive 0.5m thick layers down to a depth of 20m. Samples were investigated for the moisture contents and the chemical and isotope composition of this moisture was determined. Physical parameters were also assessed including porosity and volumetric moisture content. Chloride mass-balance was used to calculate recharge rates through the unsaturated zone by predicting the position of the 1963-Tritium peak in the unsaturated column. Analysis of moisture, chloride and deuterium profiles showed three principle peaks (along with minor ones) in Karafin site indicating few major recharge events that have taken place during the last few decades. Adjustment of these episodes has also been attempted using two historical major rainfall events (known from nearby meteorological stations). Application of the methodology in water resources management in arid regions is discussed. (author)
Geological entropy and solute transport in heterogeneous porous media
Bianchi, Marco; Pedretti, Daniele
2017-06-01
We propose a novel approach to link solute transport behavior to the physical heterogeneity of the aquifer, which we fully characterize with two measurable parameters: the variance of the log K values (σY2), and a new indicator (HR) that integrates multiple properties of the K field into a global measure of spatial disorder or geological entropy. From the results of a detailed numerical experiment considering solute transport in K fields representing realistic distributions of hydrofacies in alluvial aquifers, we identify empirical relationship between the two parameters and the first three central moments of the distributions of arrival times of solute particles at a selected control plane. The analysis of experimental data indicates that the mean and the variance of the solutes arrival times tend to increase with spatial disorder (i.e., HR increasing), while highly skewed distributions are observed in more orderly structures (i.e., HR decreasing) or at higher σY2. We found that simple closed-form empirical expressions of the bivariate dependency of skewness on HR and σY2 can be used to predict the emergence of non-Fickian transport in K fields considering a range of structures and heterogeneity levels, some of which based on documented real aquifers. The accuracy of these predictions and in general the results from this study indicate that a description of the global variability and structure of the K field in terms of variance and geological entropy offers a valid and broadly applicable approach for the interpretation and prediction of transport in heterogeneous porous media.
Reactive solute transport in an asymmetrical fracture-rock matrix system
Zhou, Renjie; Zhan, Hongbin
2018-02-01
The understanding of reactive solute transport in a single fracture-rock matrix system is the foundation of studying transport behavior in the complex fractured porous media. When transport properties are asymmetrically distributed in the adjacent rock matrixes, reactive solute transport has to be considered as a coupled three-domain problem, which is more complex than the symmetric case with identical transport properties in the adjacent rock matrixes. This study deals with the transport problem in a single fracture-rock matrix system with asymmetrical distribution of transport properties in the rock matrixes. Mathematical models are developed for such a problem under the first-type and the third-type boundary conditions to analyze the spatio-temporal concentration and mass distribution in the fracture and rock matrix with the help of Laplace transform technique and de Hoog numerical inverse Laplace algorithm. The newly acquired solutions are then tested extensively against previous analytical and numerical solutions and are proven to be robust and accurate. Furthermore, a water flushing phase is imposed on the left boundary of system after a certain time. The diffusive mass exchange along the fracture/rock matrixes interfaces and the relative masses stored in each of three domains (fracture, upper rock matrix, and lower rock matrix) after the water flushing provide great insights of transport with asymmetric distribution of transport properties. This study has the following findings: 1) Asymmetric distribution of transport properties imposes greater controls on solute transport in the rock matrixes. However, transport in the fracture is mildly influenced. 2) The mass stored in the fracture responses quickly to water flushing, while the mass stored in the rock matrix is much less sensitive to the water flushing. 3) The diffusive mass exchange during the water flushing phase has similar patterns under symmetric and asymmetric cases. 4) The characteristic distance
Control and optimization of solute transport in a thin porous tube
Griffiths, I. M.
2013-03-01
Predicting the distribution of solutes or particles in flows within porous-walled tubes is essential to inform the design of devices that rely on cross-flow filtration, such as those used in water purification, irrigation devices, field-flow fractionation, and hollow-fibre bioreactors for tissue-engineering applications. Motivated by these applications, a radially averaged model for fluid and solute transport in a tube with thin porous walls is derived by developing the classical ideas of Taylor dispersion. The model includes solute diffusion and advection via both radial and axial flow components, and the advection, diffusion, and uptake coefficients in the averaged equation are explicitly derived. The effect of wall permeability, slip, and pressure differentials upon the dispersive solute behaviour are investigated. The model is used to explore the control of solute transport across the membrane walls via the membrane permeability, and a parametric expression for the permeability required to generate a given solute distribution is derived. The theory is applied to the specific example of a hollow-fibre membrane bioreactor, where a uniform delivery of nutrient across the membrane walls to the extra-capillary space is required to promote spatially uniform cell growth. © 2013 American Institute of Physics.
Study of reactive solutes transport and PAH migration in unsaturated soils
International Nuclear Information System (INIS)
Gujisaite, V.; Simonnot, M.O.; Gujisaite, V.; Morel, J.L.; Ouvrard, S.; Simonnot, M.O.; Gaudet, J.P.
2005-01-01
Experimental studies about solute transport in soil have most of the time been conducted under saturated conditions, whereas studies with unsaturated media are usually limited to hydrodynamic analysis. Those are mainly concerning the prediction of water flow, which is the main vector for the transport of contaminants in soil. Only a few studies have made the link between unsaturated flow and physical, chemical and biological interactions, which are controlling the availability of pollutants. However, the presence of a gaseous phase in soil can modify not only the movement of soil solution, but also chemical interactions and exchanges between soil aggregates and solution. Study of reactive solute transport in the vadose zone seems thus to be a necessary stage to predict contaminant fate in natural soils, for risk assessment as well as for the design of effective processes for the remediation of contaminated soils. This question is the main objective of the present work developed in the frame of our French Scientific Interest Group Industrial Wastelands called 'GISFI' (www.gisfi.prd.fr), based around a scientific and technological project dedicated to acquisition of knowledge for sustainable requalification of degraded sites polluted by past industrial activities. We will focus here on Polycyclic Aromatic Hydrocarbons (PAH), which are among the most widely discussed environmental contaminants because of their toxicity for human health and ecosystems. They are present in large quantities in soils polluted by former industrial activities, especially in relation to the coal extraction, exploitation and treatment. An experimental system has been specifically designed at the laboratory scale to carry out experiments under controlled conditions, with an unsaturated steady-state flow. The first experiments are performed on model soils, in order to investigate unsaturated steady-state flow in relation to interactions mechanisms. We have thus chosen to use a sandy
The OpenMOC method of characteristics neutral particle transport code
International Nuclear Information System (INIS)
Boyd, William; Shaner, Samuel; Li, Lulu; Forget, Benoit; Smith, Kord
2014-01-01
Highlights: • An open source method of characteristics neutron transport code has been developed. • OpenMOC shows nearly perfect scaling on CPUs and 30× speedup on GPUs. • Nonlinear acceleration techniques demonstrate a 40× reduction in source iterations. • OpenMOC uses modern software design principles within a C++ and Python framework. • Validation with respect to the C5G7 and LRA benchmarks is presented. - Abstract: The method of characteristics (MOC) is a numerical integration technique for partial differential equations, and has seen widespread use for reactor physics lattice calculations. The exponential growth in computing power has finally brought the possibility for high-fidelity full core MOC calculations within reach. The OpenMOC code is being developed at the Massachusetts Institute of Technology to investigate algorithmic acceleration techniques and parallel algorithms for MOC. OpenMOC is a free, open source code written using modern software languages such as C/C++ and CUDA with an emphasis on extensible design principles for code developers and an easy to use Python interface for code users. The present work describes the OpenMOC code and illustrates its ability to model large problems accurately and efficiently
Pathogen transport in groundwater systems: contrasts with traditional solute transport
Hunt, Randall J.; Johnson, William P.
2017-06-01
Water quality affects many aspects of water availability, from precluding use to societal perceptions of fit-for-purpose. Pathogen source and transport processes are drivers of water quality because they have been responsible for numerous outbreaks resulting in large economic losses due to illness and, in some cases, loss of life. Outbreaks result from very small exposure (e.g., less than 20 viruses) from very strong sources (e.g., trillions of viruses shed by a single infected individual). Thus, unlike solute contaminants, an acute exposure to a very small amount of contaminated water can cause immediate adverse health effects. Similarly, pathogens are larger than solutes. Thus, interactions with surfaces and settling become important even as processes important for solutes such as diffusion become less important. These differences are articulated in "Colloid Filtration Theory", a separate branch of pore-scale transport. Consequently, understanding pathogen processes requires changes in how groundwater systems are typically characterized, where the focus is on the leading edges of plumes and preferential flow paths, even if such features move only a very small fraction of the aquifer flow. Moreover, the relatively short survival times of pathogens in the subsurface require greater attention to very fast (solute transport mechanisms discussed here, a more encompassing view of water quality and source water protection is attained. With this more holistic view and theoretical understanding, better evaluations can be made regarding drinking water vulnerability and the relation between groundwater and human health.
Transport Visualization for Studying Mass Transfer and Solute Transport in Permeable Media
International Nuclear Information System (INIS)
Roy Haggerty
2004-01-01
Understanding and predicting mass transfer coupled with solute transport in permeable media is central to several energy-related programs at the US Department of Energy (e.g., CO 2 sequestration, nuclear waste disposal, hydrocarbon extraction, and groundwater remediation). Mass transfer is the set of processes that control movement of a chemical between mobile (advection-dominated) domains and immobile (diffusion- or sorption-dominated) domains within a permeable medium. Consequences of mass transfer on solute transport are numerous and may include (1) increased sequestration time within geologic formations; (2) reduction in average solute transport velocity by as much as several orders of magnitude; (3) long ''tails'' in concentration histories during removal of a solute from a permeable medium; (4) poor predictions of solute behavior over long time scales; and (5) changes in reaction rates due to mass transfer influences on pore-scale mixing of solutes. Our work produced four principle contributions: (1) the first comprehensive visualization of solute transport and mass transfer in heterogeneous porous media; (2) the beginnings of a theoretical framework that encompasses both macrodispersion and mass transfer within a single set of equations; (3) experimental and analytical tools necessary for understanding mixing and aqueous reaction in heterogeneous, granular porous media; (4) a clear experimental demonstration that reactive transport is often not accurately described by a simple coupling of the convection-dispersion equation with chemical reaction equations. The work shows that solute transport in heterogeneous media can be divided into 3 regimes--macrodispersion, advective mass transfer, and diffusive mass transfer--and that these regimes can be predicted quantitatively in binary media. We successfully predicted mass transfer in each of these regimes and verified the prediction by completing quantitative visualization experiments in each of the regimes, the
Directory of Open Access Journals (Sweden)
Luiz Fernando C. de Oliveira
2000-04-01
Full Text Available Desenvolveu-se um modelo matemático para simulação do transporte de soluto no solo e no escoamento superficial. As equações diferenciais que regem os processos de transporte são resolvidas numericamente, pelo método das diferenças finitas. Para se avaliar o desempenho do modelo proposto, montou-se um experimento em nível de campo, constituído de nove parcelas, nas quais foram aplicadas três lâminas de irrigação com diferentes intensidades de precipitação; antes e após a aplicação da irrigação foram retiradas amostras de solo, para a obtenção dos perfis de umidade e, no final da parcela, coletou-se a vazão escoada superficialmente, pelo método direto. Os resultados simulados pelo modelo foram comparados com os experimentais, através do erro relativo médio. O modelo desenvolvido mostrou-se adequado para se descrever os processos de movimento de água no solo e escoamento superficial, apresentando comportamento semelhante aos das observações experimentais, podendo ser utilizado para simular esses processos, desde que os parâmetros de entrada do modelo sejam representativos.A mathematical model was developed to simulate solute transport in both soil and in surface runoff. The differential equations that govern the transport processes are numerically solved through the finite difference method. For the evaluation of the proposed model a field experiment was planned with nine plots under three irrigation levels with different rainfall intensities. Soil was sampled before and after irrigation to obtain moisture content profiles. At the end of the plot runoff flow was collected by the direct method. The model-simulated results were compared with the experimental data through the mean relative error. The developed model was found to describe adequately water movement and surface runoff, showing a behavior similar to experimental observations, making possible the utilization of the model to simulate these processes, if the
Development of a CAD-based neutron transport code with the method of characteristics
International Nuclear Information System (INIS)
Chen Zhenping; Wang Dianxi; He Tao; Wang Guozhong; Zheng Huaqing
2012-01-01
The main problem determining whether the method of characteristics (MOC) can be used in complicated and highly heterogeneous geometry is how to combine an effective geometry processing method with MOC. In this study, a new idea making use of MCAM, which is a Mutlti-Calculation Automatic Modeling for Neutronics and Radiation Transport program developed by FDS Team, for geometry description and ray tracing of particle transport was brought forward to solve the geometry problem mentioned above. Based on the theory and approach as the foregoing statement, a two dimensional neutron transport code was developed which had been integrated into VisualBUS, developed by FDS Team. Several benchmarks were used to verify the validity of the code and the numerical results were coincident with the reference values very well, which indicated the accuracy and feasibility of the method and the MOC code. (authors)
International Nuclear Information System (INIS)
Liu, Zhouyu; Collins, Benjamin; Kochunas, Brendan; Downar, Thomas; Xu, Yunlin; Wu, Hongchun
2015-01-01
Highlights: • The CDP combines the benefits of the CPM’s efficiency and the MOC’s flexibility. • Boundary averaging reduces the computation effort with losing minor accuracy. • An analysis model is used to justify the choice of optimize averaging strategy. • Numerical results show the performance and accuracy. - Abstract: The method of characteristic direction probabilities (CDP) combines the benefits of the collision probability method (CPM) and the method of characteristics (MOC) for the solution of the integral form of the Botlzmann Transport Equation. By coupling only the fine regions traversed by the characteristic rays in a particular direction, the computational effort required to calculate the probability matrices and to solve the matrix system is considerably reduced compared to the CPM. Furthermore, boundary averaging is performed to reduce the storage and computation but the capability of dealing with complicated geometries is preserved since the same ray tracing information is used as in MOC. An analysis model for the outgoing angular flux is used to analyze a variety of outgoing angular flux averaging methods for the boundary and to justify the choice of optimize averaging strategy. The boundary average CDP method was then implemented in the Michigan PArallel Characteristic based Transport (MPACT) code to perform 2-D and 3-D transport calculations. The numerical results are given for different cases to show the effect of averaging on the outgoing angular flux, region scalar flux and the eigenvalue. Comparison of the results with the case with no averaging demonstrates that an angular dependent averaging strategy is possible for the CDP to improve its computational performance without compromising the achievable accuracy
Schot, P.P.
1991-01-01
This thesis deals with solute transport by groundwater flow and the way in which solute transport is affected by human activities. This in relation to wetland ecosystems. Wetlands in the eastern part of the Vecht river plain in The Netherlands are historically renown for their great variety of
Parallel 3-D method of characteristics in MPACT
International Nuclear Information System (INIS)
Kochunas, B.; Dovvnar, T. J.; Liu, Z.
2013-01-01
A new parallel 3-D MOC kernel has been developed and implemented in MPACT which makes use of the modular ray tracing technique to reduce computational requirements and to facilitate parallel decomposition. The parallel model makes use of both distributed and shared memory parallelism which are implemented with the MPI and OpenMP standards, respectively. The kernel is capable of parallel decomposition of problems in space, angle, and by characteristic rays up to 0(104) processors. Initial verification of the parallel 3-D MOC kernel was performed using the Takeda 3-D transport benchmark problems. The eigenvalues computed by MPACT are within the statistical uncertainty of the benchmark reference and agree well with the averages of other participants. The MPACT k eff differs from the benchmark results for rodded and un-rodded cases by 11 and -40 pcm, respectively. The calculations were performed for various numbers of processors and parallel decompositions up to 15625 processors; all producing the same result at convergence. The parallel efficiency of the worst case was 60%, while very good efficiency (>95%) was observed for cases using 500 processors. The overall run time for the 500 processor case was 231 seconds and 19 seconds for the case with 15625 processors. Ongoing work is focused on developing theoretical performance models and the implementation of acceleration techniques to minimize the number of iterations to converge. (authors)
CFEST Coupled Flow, Energy & Solute Transport Version CFEST005 User’s Guide
Energy Technology Data Exchange (ETDEWEB)
Freedman, Vicky L.; Chen, Yousu; Gilca, Alex; Cole, Charles R.; Gupta, Sumant K.
2006-07-20
The CFEST (Coupled Flow, Energy, and Solute Transport) simulator described in this User’s Guide is a three-dimensional finite-element model used to evaluate groundwater flow and solute mass transport. Confined and unconfined aquifer systems, as well as constant and variable density fluid flows can be represented with CFEST. For unconfined aquifers, the model uses a moving boundary for the water table, deforming the numerical mesh so that the uppermost nodes are always at the water table. For solute transport, changes in concentra¬tion of a single dissolved chemical constituent are computed for advective and hydrodynamic transport, linear sorption represented by a retardation factor, and radioactive decay. Although several thermal parameters described in this User’s Guide are required inputs, thermal transport has not yet been fully implemented in the simulator. Once fully implemented, transport of thermal energy in the groundwater and solid matrix of the aquifer can also be used to model aquifer thermal regimes. The CFEST simulator is written in the FORTRAN 77 language, following American National Standards Institute (ANSI) standards. Execution of the CFEST simulator is controlled through three required text input files. These input file use a structured format of associated groups of input data. Example input data lines are presented for each file type, as well as a description of the structured FORTRAN data format. Detailed descriptions of all input requirements, output options, and program structure and execution are provided in this User’s Guide. Required inputs for auxillary CFEST utilities that aide in post-processing data are also described. Global variables are defined for those with access to the source code. Although CFEST is a proprietary code (CFEST, Inc., Irvine, CA), the Pacific Northwest National Laboratory retains permission to maintain its own source, and to distribute executables to Hanford subcontractors.
Effects of coal gangue content on water movement and solute transport in a China loess plateau soil
Energy Technology Data Exchange (ETDEWEB)
Beibei, Zhou; Quanjiu, Wang [Institute of Water Resources and Hydro-electric Engineering, Xi' an University of Technology, Xi' an (China); State Key Laboratory of Soil Erosion and Dryland Farming on the Loess Plateau, Institute of Soil and Water Conservation, Northwest A and F University, Yangling, Shaanxi (China); Ming' an, Shao; Mingxia, Wen [State Key Laboratory of Soil Erosion and Dryland Farming on the Loess Plateau, Institute of Soil and Water Conservation, Northwest A and F University, Yangling, Shaanxi (China); College of Resources and Environment, Northwest A and F University, Yangling, Shaanxi (China); Horton, Robert [Department of Agronomy, Iowa State University, Ames, Iowa (United States)
2010-11-15
The mining industry has grown strongly in China in recent decades, resulting in large amounts of coal gangues, which cause water and soil pollution, soil erosion, and various other environmental problems. They are often used in reclamation projects in attempts to restore land damaged by mining, hence they are frequently present (in widely varying proportions) in the topsoil in areas around mines. Their presence can strongly affect key soil variables, including its bulk density, structure, water retention, water movement, and solute transport rates. In the study presented here, the effects of gangue contents on infiltration, saturated hydraulic conductivity, and solute transport parameters of a Chinese Loess plateau soil were examined. The results show that infiltration rates and saturated hydraulic conductivity decreased with increasing gangue content. The Peck-Watson equation modeled these relationships well, but Bouwer-Rice equations provided poorer matches with the acquired data. Cumulative infiltration over time was described well by both the Philip equation and Kostiakov equation. Both the simplified convection-dispersion equation and a two-region model described the solute transport processes well. In addition, the dispersion increased, while both the Peclet number and mobile water fraction decreased, with increases in gangue contents. (Copyright copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Hyporheic less-mobile porosity and solute transport in porous media
MahmoodPoorDehkordy, F.; Briggs, M. A.; Day-Lewis, F. D.; Scruggs, C.; Singha, K.; Zarnetske, J. P.; Lane, J. W., Jr.; Bagtzoglou, A. C.
2017-12-01
Solute transport and reactive processes are strongly influenced by hydrodynamic exchange with the hyporheic zone. Contaminant transport and redox zonation in the hyporheic zone and near-stream aquifer can be impacted by the exchange between mobile and less-mobile porosity zones in heterogeneous porous media. Less-mobile porosity zones can be created by fine materials with tight pore throats (e.g. clay, organics) and in larger, well-connected pores down gradient of flow obstructions (e.g. sand behind cobbles). Whereas fluid sampling is primarily responsive to the more-mobile domain, tracking solute tracer dynamics by geoelectrical methods provides direct information about both more- and less-mobile zones. During tracer injection through porous media of varied pore connectivity, a lag between fluid and bulk electrical conductivity is observed, creating a hysteresis loop when plotted in conductivity space. Thus, the combination of simultaneous fluid and bulk electrical conductivity measurements enables a much improved quantification of less-mobile solute dynamics compared to traditional fluid-only sampling approaches. We have demonstrated the less-mobile porosity exchange in laboratory-scale column experiments verified by simulation models. The experimental approach has also been applied to streambed sediments in column and reach-scale field experiments and verified using numerical simulation. Properties of the resultant hysteresis loops can be used to estimate exchange parameters of less-mobile porosity. Our integrated approach combining field experiments, laboratory experiments, and numerical modeling provides new insights into the effect of less-mobile porosity on solute transport in the hyporheic zone.
Fiori, A.; Zarlenga, A.; Jankovic, I.; Dagan, G.
2017-12-01
Natural gradient steady flow of mean velocity U takes place in heterogeneous aquifers of random logconductivity Y = lnK , characterized by the normal univariate PDF f(Y) and autocorrelation ρY, of variance σY2 and horizontal integral scale I. Solute transport is quantified by the Breakthrough Curve (BTC) M at planes at distance x from the injection plane. The study builds on the extensive 3D numerical simulations of flow and transport of Jankovic et al. (2017) for different conductivity structures. The present study further explores the predictive capabilities of the Advection Dispersion Equation (ADE), with macrodispersivity αL given by the First Order Approximation (FOA), by checking in a quantitative manner its applicability. After a discussion on the suitable boundary conditions for ADE, we find that the ADE-FOA solution is a sufficiently accurate predictor for applications, the many other sources of uncertainty prevailing in practice notwithstanding. We checked by least squares and by comparison of travel time of quantiles of M that indeed the analytical Inverse Gaussian M with αL =σY2 I , is able to fit well the bulk of the simulated BTCs. It tends to underestimate the late arrival time of the thin and persistent tail. The tail is better reproduced by the semi-analytical MIMSCA model, which also allows for a physical explanation of the success of the Inverse Gaussian solution. Examination of the pertinent longitudinal mass distribution shows that it is different from the commonly used Gaussian one in the analysis of field experiments, and it captures the main features of the plume measurements of the MADE experiment. The results strengthen the confidence in the applicability of the ADE and the FOA to predicting longitudinal spreading in solute transport through heterogeneous aquifers of stationary random structure.
Synergism of the method of characteristics and CAD technology for neutron transport calculation
International Nuclear Information System (INIS)
Chen, Z.; Wang, D.; He, T.; Wang, G.; Zheng, H.
2013-01-01
The method of characteristics (MOC) is a very popular methodology in neutron transport calculation and numerical simulation in recent decades for its unique advantages. One of the key problems determining whether the MOC can be applied in complicated and highly heterogeneous geometry is how to combine an effective geometry processing method with MOC. Most of the existing MOC codes describe the geometry by lines and arcs with extensive input data, such as circles, ellipses, regular polygons and combination of them. Thus they have difficulty in geometry modeling, background meshing and ray tracing for complicated geometry domains. In this study, a new idea making use of a CAD solid modeler MCAM which is a CAD/Image-based Automatic Modeling Program for Neutronics and Radiation Transport developed by FDS Team in China was introduced for geometry modeling and ray tracing of particle transport to remove these geometrical limitations mentioned above. The diamond-difference scheme was applied to MOC to reduce the spatial discretization error of the flat flux approximation in theory. Based on MCAM and MOC, a new MOC code was developed and integrated into SuperMC system, which is a Super Multi-function Computational system for neutronics and radiation simulation. The numerical testing results demonstrated the feasibility and effectiveness of the new idea for geometry treatment in SuperMC. (authors)
Parkhurst, David L.; Kipp, Kenneth L.; Charlton, Scott R.
2010-01-01
The computer program PHAST (PHREEQC And HST3D) simulates multicomponent, reactive solute transport in three-dimensional saturated groundwater flow systems. PHAST is a versatile groundwater flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. Major enhancements in PHAST Version 2 allow spatial data to be defined in a combination of map and grid coordinate systems, independent of a specific model grid (without node-by-node input). At run time, aquifer properties are interpolated from the spatial data to the model grid; regridding requires only redefinition of the grid without modification of the spatial data. PHAST is applicable to the study of natural and contaminated groundwater systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock/water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, or density-dependent flow. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux (specified-flux), and leaky (head-dependent) conditions, as well as the special cases of rivers, drains, and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association or Pitzer specific interaction thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, ion exchange sites, surface complexation sites, solid solutions, and gases; and
Solute transport with periodic input point source in one-dimensional ...
African Journals Online (AJOL)
JOY
groundwater flow velocity is considered proportional to multiple of temporal function and ζ th ... One-dimensional solute transport through porous media with or without .... solute free. ... the periodic concentration at source of the boundary i.e.,. 0.
One-dimensional transient unequal velocity two-phase flow by the method of characteristics
International Nuclear Information System (INIS)
Rasouli, F.
1981-01-01
An understanding of two-phase flow is important when one is analyzing the accidental loss of coolant or when analyzing industrial processes. If a pipe in the steam generator of a nuclear reactor breaks, the flow will remain critical (or choked) for almost the entire blowdown. For this reason the knowledge of the two-phase maximum (critical) flow rate is important. A six-equation model--consisting of two continuity equations, two energy equations, a mixture momentum equation, and a constitutive relative velocity equation--is solved numerically by the method of characteristics for one-dimensional, transient, two-phase flow systems. The analysis is also extended to the special case of transient critical flow. The six-equation model is used to study the flow of a nonequilibrium sodium-argon system in a horizontal tube in which the nonequilibrium sodium-argon system in a horizontal tube in which the critical flow condition is at the entrance. A four-equation model is used to study the pressure-pulse propagation rate in an isothermal air-water system, and the results that are found are compared with the experimental data. Proper initial and boundary conditions are obtained for the blowdown problem. The energy and mass exchange relations are evaluated by comparing the model predictions with results of void-fraction and heat-transfer experiments. A simplified two-equation model is obtained for the special case of two incompressible phases. This model is used in the preliminary analysis of batch sedimentation. It is also used to predict the shock formation in the gas-solid fluidized bed
Pore-scale and Continuum Simulations of Solute Transport Micromodel Benchmark Experiments
Energy Technology Data Exchange (ETDEWEB)
Oostrom, Martinus; Mehmani, Yashar; Romero Gomez, Pedro DJ; Tang, Y.; Liu, H.; Yoon, Hongkyu; Kang, Qinjun; Joekar Niasar, Vahid; Balhoff, Matthew; Dewers, T.; Tartakovsky, Guzel D.; Leist, Emily AE; Hess, Nancy J.; Perkins, William A.; Rakowski, Cynthia L.; Richmond, Marshall C.; Serkowski, John A.; Werth, Charles J.; Valocchi, Albert J.; Wietsma, Thomas W.; Zhang, Changyong
2016-08-01
Four sets of micromodel nonreactive solute transport experiments were conducted with flow velocity, grain diameter, pore-aspect ratio, and flow focusing heterogeneity as the variables. The data sets were offered to pore-scale modeling groups to test their simulators. Each set consisted of two learning experiments, for which all results was made available, and a challenge experiment, for which only the experimental description and base input parameters were provided. The experimental results showed a nonlinear dependence of the dispersion coefficient on the Peclet number, a negligible effect of the pore-aspect ratio on transverse mixing, and considerably enhanced mixing due to flow focusing. Five pore-scale models and one continuum-scale model were used to simulate the experiments. Of the pore-scale models, two used a pore-network (PN) method, two others are based on a lattice-Boltzmann (LB) approach, and one employed a computational fluid dynamics (CFD) technique. The learning experiments were used by the PN models to modify the standard perfect mixing approach in pore bodies into approaches to simulate the observed incomplete mixing. The LB and CFD models used these experiments to appropriately discretize the grid representations. The continuum model use published non-linear relations between transverse dispersion coefficients and Peclet numbers to compute the required dispersivity input values. Comparisons between experimental and numerical results for the four challenge experiments show that all pore-scale models were all able to satisfactorily simulate the experiments. The continuum model underestimated the required dispersivity values and, resulting in less dispersion. The PN models were able to complete the simulations in a few minutes, whereas the direct models needed up to several days on supercomputers to resolve the more complex problems.
International Nuclear Information System (INIS)
Hoffman, Adam J.; Lee, John C.
2016-01-01
A new time-dependent Method of Characteristics (MOC) formulation for nuclear reactor kinetics was developed utilizing angular flux time-derivative propagation. This method avoids the requirement of storing the angular flux at previous points in time to represent a discretized time derivative; instead, an equation for the angular flux time derivative along 1D spatial characteristics is derived and solved concurrently with the 1D transport characteristic equation. This approach allows the angular flux time derivative to be recast principally in terms of the neutron source time derivatives, which are approximated to high-order accuracy using the backward differentiation formula (BDF). This approach, called Source Derivative Propagation (SDP), drastically reduces the memory requirements of time-dependent MOC relative to methods that require storing the angular flux. An SDP method was developed for 2D and 3D applications and implemented in the computer code DeCART in 2D. DeCART was used to model two reactor transient benchmarks: a modified TWIGL problem and a C5G7 transient. The SDP method accurately and efficiently replicated the solution of the conventional time-dependent MOC method using two orders of magnitude less memory.
Energy Technology Data Exchange (ETDEWEB)
Hoffman, Adam J., E-mail: adamhoff@umich.edu; Lee, John C., E-mail: jcl@umich.edu
2016-02-15
A new time-dependent Method of Characteristics (MOC) formulation for nuclear reactor kinetics was developed utilizing angular flux time-derivative propagation. This method avoids the requirement of storing the angular flux at previous points in time to represent a discretized time derivative; instead, an equation for the angular flux time derivative along 1D spatial characteristics is derived and solved concurrently with the 1D transport characteristic equation. This approach allows the angular flux time derivative to be recast principally in terms of the neutron source time derivatives, which are approximated to high-order accuracy using the backward differentiation formula (BDF). This approach, called Source Derivative Propagation (SDP), drastically reduces the memory requirements of time-dependent MOC relative to methods that require storing the angular flux. An SDP method was developed for 2D and 3D applications and implemented in the computer code DeCART in 2D. DeCART was used to model two reactor transient benchmarks: a modified TWIGL problem and a C5G7 transient. The SDP method accurately and efficiently replicated the solution of the conventional time-dependent MOC method using two orders of magnitude less memory.
Hydro-dynamic Solute Transport under Two-Phase Flow Conditions.
Karadimitriou, Nikolaos K; Joekar-Niasar, Vahid; Brizuela, Omar Godinez
2017-07-26
There are abundant examples of natural, engineering and industrial applications, in which "solute transport" and "mixing" in porous media occur under multiphase flow conditions. Current state-of-the-art understanding and modelling of such processes are established based on flawed and non-representative models. Moreover, there is no direct experimental result to show the true hydrodynamics of transport and mixing under multiphase flow conditions while the saturation topology is being kept constant for a number of flow rates. With the use of a custom-made microscope, and under well-controlled flow boundary conditions, we visualized directly the transport of a tracer in a Reservoir-on-Chip (RoC) micromodel filled with two immiscible fluids. This study provides novel insights into the saturation-dependency of transport and mixing in porous media. To our knowledge, this is the first reported pore-scale experiment in which the saturation topology, relative permeability, and tortuosity were kept constant and transport was studied under different dynamic conditions in a wide range of saturation. The critical role of two-phase hydrodynamic properties on non-Fickian transport and saturation-dependency of dispersion are discussed, which highlight the major flaws in parametrization of existing models.
Continuous time random walk analysis of solute transport in fractured porous media
Energy Technology Data Exchange (ETDEWEB)
Cortis, Andrea; Cortis, Andrea; Birkholzer, Jens
2008-06-01
The objective of this work is to discuss solute transport phenomena in fractured porous media, where the macroscopic transport of contaminants in the highly permeable interconnected fractures can be strongly affected by solute exchange with the porous rock matrix. We are interested in a wide range of rock types, with matrix hydraulic conductivities varying from almost impermeable (e.g., granites) to somewhat permeable (e.g., porous sandstones). In the first case, molecular diffusion is the only transport process causing the transfer of contaminants between the fractures and the matrix blocks. In the second case, additional solute transfer occurs as a result of a combination of advective and dispersive transport mechanisms, with considerable impact on the macroscopic transport behavior. We start our study by conducting numerical tracer experiments employing a discrete (microscopic) representation of fractures and matrix. Using the discrete simulations as a surrogate for the 'correct' transport behavior, we then evaluate the accuracy of macroscopic (continuum) approaches in comparison with the discrete results. However, instead of using dual-continuum models, which are quite often used to account for this type of heterogeneity, we develop a macroscopic model based on the Continuous Time Random Walk (CTRW) framework, which characterizes the interaction between the fractured and porous rock domains by using a probability distribution function of residence times. A parametric study of how CTRW parameters evolve is presented, describing transport as a function of the hydraulic conductivity ratio between fractured and porous domains.
Cremer, Clemens; Neuweiler, Insa; Bechtold, Michel; Vanderborght, Jan
2016-04-01
Quantification of flow and solute transport in the shallow subsurface adjacent to the atmosphere is decisive to prevent groundwater pollution and conserve groundwater quality, to develop successful remediation strategies and to understand nutrient cycling. In nature, due to erratic precipitation-evaporation patterns, soil moisture content and related hydraulic conductivity in the vadose zone are not only variable in space but also in time. Flow directions and flow paths locally change between precipitation and evaporation periods. This makes the identification and description of solute transport processes in the vadose zone a complex problem. Recent studies (Lehmann and Or, 2009; Bechtold et al., 2011a) focused on the investigation of upward transport of solutes during evaporation in heterogeneous soil columns, where heterogeneity was introduced by a sharp vertical material interface between two types of sand. Lateral solute transport through the interface in both (lateral) directions was observed at different depths of the investigated soil columns. Following recent approaches, we conduct two-dimensional numerical simulations in a similar setup which is composed of two sands with a sharp vertical material interface. The investigation is broadened from the sole evaporation to combined precipitation-evaporation cycles in order to quantify transport processes resulting from the combined effects of heterogeneous soil structure and dynamic flow conditions. Simulations are performed with a coupled finite volume and random walk particle tracking algorithm (Ippisch et al., 2006; Bechtold et al., 2011b). By comparing scenarios with cyclic boundary conditions and stationary counterparts with the same net flow rate, we found that duration and intensity of precipitation and evaporation periods potentially have an influence on lateral redistribution of solutes and thus leaching rates. Whether or not dynamic boundary conditions lead to significant deviations in the transport
Fibrin structural and diffusional analysis suggests that fibers are permeable to solute transport.
Leonidakis, Kimon Alexandros; Bhattacharya, Pinaki; Patterson, Jennifer; Vos, Bart E; Koenderink, Gijsje H; Vermant, Jan; Lambrechts, Dennis; Roeffaers, Maarten; Van Oosterwyck, Hans
2017-01-01
Fibrin hydrogels are promising carrier materials in tissue engineering. They are biocompatible and easy to prepare, they can bind growth factors and they can be prepared from a patient's own blood. While fibrin structure and mechanics have been extensively studied, not much is known about the relation between structure and diffusivity of solutes within the network. This is particularly relevant for solutes with a size similar to that of growth factors. A novel methodological approach has been used in this study to retrieve quantitative structural characteristics of fibrin hydrogels, by combining two complementary techniques, namely confocal fluorescence microscopy with a fiber extraction algorithm and turbidity measurements. Bulk rheological measurements were conducted to determine the impact of fibrin hydrogel structure on mechanical properties. From these measurements it can be concluded that variations in the fibrin hydrogel structure have a large impact on the rheological response of the hydrogels (up to two orders of magnitude difference in storage modulus) but only a moderate influence on the diffusivity of dextran solutes (up to 25% difference). By analyzing the diffusivity measurements by means of the Ogston diffusion model we further provide evidence that individual fibrin fibers can be semi-permeable to solute transport, depending on the average distance between individual protofibrils. This can be important for reducing mass transport limitations, for modulating fibrinolysis and for growth factor binding, which are all relevant for tissue engineering. Fibrin is a natural biopolymer that has drawn much interest as a biomimetic carrier in tissue engineering applications. We hereby use a novel combined approach for the structural characterization of fibrin networks based on optical microscopy and light scattering methods that can also be applied to other fibrillar hydrogels, like collagen. Furthermore, our findings on the relation between solute transport
Ranathunge, Kosala; Kim, Yangmin X; Wassmann, Friedrich; Kreszies, Tino; Zeisler, Viktoria; Schreiber, Lukas
2017-03-01
Roots have complex anatomical structures, and certain localized cell layers develop suberized apoplastic barriers. The size and tightness of these barriers depend on the growth conditions and on the age of the root. Such complex anatomical structures result in a composite water and solute transport in roots. Development of apoplastic barriers along barley seminal roots was detected using various staining methods, and the suberin amounts in the apical and basal zones were analysed using gas chromatography-mass spectometry (GC-MS). The hydraulic conductivity of roots ( Lp r ) and of cortical cells ( Lp c ) was measured using root and cell pressure probes. When grown in hydroponics, barley roots did not form an exodermis, even at their basal zones. However, they developed an endodermis. Endodermal Casparian bands first appeared as 'dots' as early as at 20 mm from the apex, whereas a patchy suberin lamellae appeared at 60 mm. The endodermal suberin accounted for the total suberin of the roots. The absolute amount in the basal zone was significantly higher than in the apical zone, which was inversely proportional to the Lp r . Comparison of Lp r and Lp c suggested that cell to cell pathways dominate for water transport in roots. However, the calculation of Lp r from Lp c showed that at least 26 % of water transport occurs through the apoplast. Roots had different solute permeabilities ( P sr ) and reflection coefficients ( σ sr ) for the solutes used. The σ sr was below unity for the solutes, which have virtually zero permeability for semi-permeable membranes. Suberized endodermis significantly reduces Lp r of seminal roots. The water and solute transport across barley roots is composite in nature and they do not behave like ideal osmometers. The composite transport model should be extended by adding components arranged in series (cortex, endodermis) in addition to the currently included components arranged in parallel (apoplastic, cell to cell pathways). © The
Analysis of a MOX-UO2 interface by the method of characteristics
International Nuclear Information System (INIS)
Chetaine, A.; Erradi, L.; Sanchez, R.; Zmijarevic, I.; Aniel-Buchheit, S.
2005-01-01
In the last few years many studies have been done to improve the ability of core reactors (PWR and BWR) to burn Plutonium fuel, either in mixed UO 2 /MOX pattern or full MOX pattern. The analysis of a MOX-UO 2 interface with the method of characteristics has been carried out. Comparisons with Monte Carlo and collision-probability calculations show that our results are in good agreement with those obtained by reference methods and qualify the method of characteristic as a reliable technique for such calculations. (authors)
Energy Technology Data Exchange (ETDEWEB)
Nakka, B W; Chan, T
1994-12-01
A deterministic particle-tracking code (TRACK3D) has been developed to compute convective flow paths of conservative (nonreactive) contaminants through porous geological media. TRACK3D requires the groundwater velocity distribution, which, in our applications, results from flow simulations using AECL`s MOTIF code. The MOTIF finite-element code solves the transient and steady-state coupled equations of groundwater flow, solute transport and heat transport in fractured/porous media. With few modifications, TRACK3D can be used to analyse the velocity distributions calculated by other finite-element or finite-difference flow codes. This report describes the assumptions, limitations, organization, operation and applications of the TRACK3D code, and provides a comprehensive user`s manual.
Weathering of plagioclase across variable flow and solute transport regimes
Pacheco, F.A.L.; Weijden, C.H. van der
2012-01-01
The study area is situated in a fault zone with fractured granites and metasediments. In a conceptual model, infiltrating water first passes the bedrock cover of soil and saprolite and then partly enters the fractures. Weathering reactions of minerals occur in small pores and fissures in the bedrock
Influence of pore structure on solute transport in degraded and undegraded fen peat soils
Directory of Open Access Journals (Sweden)
C. Kleimeier
2017-10-01
Full Text Available In peat soils, decomposition and degradation reduce the proportion of large pores by breaking down plant debris into smaller fragments and infilling inter-particle pore spaces. This affects water flow and solute migration which, in turn, influence reactive transport processes and biogeochemical functions. In this study we conducted flow-through reactor experiments to investigate the interplay between pore structure and solute transport in samples of undegraded and degraded peat collected in Canada and Germany, respectively. The pore size distributions and transport parameters were characterised using the breakthrough curve and two-region non-equilibrium transport model analyses for a non-reactive solute. The results of transport characterisation showed a higher fraction of immobile pores in the degraded peat with higher diffusive exchanges of solutes between the mobile and immobile pores associated with the dual-porosity structure. The rates of steady-state potential nitrate reduction were compared with pore fractions and exchange coefficients to investigate the influence of pore structure on the rates of nitrate reduction. The results indicated that the degraded peat has potential to provide the necessary boundary conditions to support nitrate removal and serves as a favourable substrate for denitrification, due to the nature of its pore structure and its lower organic carbon content compared to undegraded peat.
Chen, Kewei; Zhan, Hongbin
2018-06-01
The reactive solute transport in a single fracture bounded by upper and lower matrixes is a classical problem that captures the dominant factors affecting transport behavior beyond pore scale. A parallel fracture-matrix system which considers the interaction among multiple paralleled fractures is an extension to a single fracture-matrix system. The existing analytical or semi-analytical solution for solute transport in a parallel fracture-matrix simplifies the problem to various degrees, such as neglecting the transverse dispersion in the fracture and/or the longitudinal diffusion in the matrix. The difficulty of solving the full two-dimensional (2-D) problem lies in the calculation of the mass exchange between the fracture and matrix. In this study, we propose an innovative Green's function approach to address the 2-D reactive solute transport in a parallel fracture-matrix system. The flux at the interface is calculated numerically. It is found that the transverse dispersion in the fracture can be safely neglected due to the small scale of fracture aperture. However, neglecting the longitudinal matrix diffusion would overestimate the concentration profile near the solute entrance face and underestimate the concentration profile at the far side. The error caused by neglecting the longitudinal matrix diffusion decreases with increasing Peclet number. The longitudinal matrix diffusion does not have obvious influence on the concentration profile in long-term. The developed model is applied to a non-aqueous-phase-liquid (DNAPL) contamination field case in New Haven Arkose of Connecticut in USA to estimate the Trichloroethylene (TCE) behavior over 40 years. The ratio of TCE mass stored in the matrix and the injected TCE mass increases above 90% in less than 10 years.
Water flow and solute transport through fractured rock
International Nuclear Information System (INIS)
Bourke, P.J.; Kingdon, R.D.; Bolt, J.E.; Pascoe, D.M.; Watkins, V.M.B.
1991-01-01
In densely fractured slate at the Nirex research site in Cornwall, the positions, orientations and hydraulic conductivities of the 380 fractures intersecting a drill hole between 9 and 50 m depths have been individually measured. These data have been used: - to determine the dimensions of statistically representative volumes of the sheetwork of fractures; - to predict; using discrete flowpath modelling and the NAPSAC code; the total flows into the fractures when large numbers are simultaneously pressurised along various lengths of the hole; Corresponding measurements, which proved the modelling and validated the code to factor of two accuracy, are reported. Possibilities accounting for this factor are noted for experimental investigation, and continuing, more extensive inter-hole flow and transport measurements are outlined. The application of this experimental and theoretical approach for calculating radionuclide transport in less densely fractured rock suitable for waste disposal is discussed. 7 figs., 9 refs
One-dimensional calculation of flow branching using the method of characteristics
International Nuclear Information System (INIS)
Meier, R.W.; Gido, R.G.
1978-05-01
In one-dimensional flow systems, the flow often branches, such as at a tee or manifold. The study develops a formulation for calculating the flow through branch points with one-dimensional method of characteristics equations. The resultant equations were verified by comparison with experimental measurements
Pore connectivity effects on solute transport in rocks
International Nuclear Information System (INIS)
Hu, Qinhong; Ewing, Robert P.
2001-01-01
Retardation of nuclear contaminants in rock matrices can lead to long retention times, allowing substantial radionuclide decay prior to eventual release. Imbibition and diffusion into the rock matrix can move contaminants away from an active fracture, thereby contributing to their retardation. However, diffusive transport in some rocks may behave anomalously because of their sparsely connected porespace, in contrast to diffusion in rocks with denser pore connections. We examined imbibition of weakly sorbing tracers into welded tuff and Indiana sandstone, and water imbibition into metagraywacke and Berea sandstone. Tuff samples were initially equilibrated to 12% and 76% water (v/v) within controlled humidity chambers, while the other rocks were air-dried. For imbibition, one face was exposed to water, with or without tracer, and uptake was measured over time. Following imbibition, tracer concentration measurements were made at fine (1 mm) increments. Three anomalous results were observed: (1) Indiana sandstone and metagraywacke showed mass of imbibed water scaling as time 0.26 , while tuff and Berea sandstone showed the more classical scaling with time 0.5 ; (2) tracer movement into dry (2% initial saturation) Indiana sandstone showed a dispersion pattern similar to that expected during tracer movement into moist (76% initial saturation) tuff; and (3) tracer concentrations at the inlet face of the tuff sample were approximately twice those deeper inside the sample. The experiment was then modeled using random walk methods on a 3-D lattice with different values of pore coordination. Network model simulations that used a pore coordination of 1.49 for Indiana sandstone and 1.56 for metagraywacke showed similar temporal scaling, a result of their porespace being close to the percolation threshold. Tracer concentration profiles in Indiana sandstone and tuff were closely matched by simulations that used pore coordinations of 1.49 and 1.68, respectively, because of how low
Pore Connectivity Effects on Solute Transport in Rocks
International Nuclear Information System (INIS)
Oinhong Hu
2001-01-01
Retardation of nuclear contaminants in rock matrices can lead to long retention times, allowing substantial radionuclide decay prior to eventual release. Imbibition and diffusion into the rock matrix can move contaminants away from an active fracture, thereby contributing to their retardation. However, diffusive transport in some rocks may behave anomalously because of their sparsely connected porespace, in contrast to diffusion in rocks with denser pore connections. We examined imbibition of weakly sorbing tracers into welded tuff and Indiana sandstone, and water imbibition into metagraywacke and Berea sandstone. Tuff samples were initially equilibrated to 12% and 76% water (v/v) within controlled humidity chambers, while the other rocks were air-dried. For imbibition, one face was exposed to water, with or without tracer, and uptake was measured over time. Following imbibition, tracer concentration measurements were made at fine (1 mm) increments. Three anomalous results were observed: (1) Indiana sandstone and metagraywacke showed mass of imbibed water scaling as time 0.26 , while tuff and Berea sandstone showed the more classical scaling with time 0.05 ; (2) tracer movement into dry (2% initial saturation) Indiana sandstone showed a dispersion pattern similar to that expected during tracer movement into moist (76% initial saturation) tuft and (3) tracer concentrations at the inlet face of the tuff sample were approximately twice those deeper inside the sample. The experiment was then modeled using random walk methods on a 3-D lattice with different values of pore coordination. Network model simulations that used a pore coordination of 1.49 for Indiana sandstone and 1.56 for metagraywacke showed similar temporal scaling, a result of their porespace being close to the percolation threshold. Tracer concentration profiles in Indiana sandstone and tuff were closely matched by simulations that used pore coordinations of 1.49 and 1.68, respectively, because of how low
CMFD and GPU acceleration on method of characteristics for hexagonal cores
International Nuclear Information System (INIS)
Han, Yu; Jiang, Xiaofeng; Wang, Dezhong
2014-01-01
Highlights: • A merged hex-mesh CMFD method solved via tri-diagonal matrix inversion. • Alternative hardware acceleration of using inexpensive GPU. • A hex-core benchmark with solution to confirm two acceleration methods. - Abstract: Coarse Mesh Finite Difference (CMFD) has been widely adopted as an effective way to accelerate the source iteration of transport calculation. However in a core with hexagonal assemblies there are non-hexagonal meshes around the edges of assemblies, causing a problem for CMFD if the CMFD equations are still to be solved via tri-diagonal matrix inversion by simply scanning the whole core meshes in different directions. To solve this problem, we propose an unequal mesh CMFD formulation that combines the non-hexagonal cells on the boundary of neighboring assemblies into non-regular hexagonal cells. We also investigated the alternative hardware acceleration of using graphics processing units (GPU) with graphics card in a personal computer. The tool CUDA is employed, which is a parallel computing platform and programming model invented by the company NVIDIA for harnessing the power of GPU. To investigate and implement these two acceleration methods, a 2-D hexagonal core transport code using the method of characteristics (MOC) is developed. A hexagonal mini-core benchmark problem is established to confirm the accuracy of the MOC code and to assess the effectiveness of CMFD and GPU parallel acceleration. For this benchmark problem, the CMFD acceleration increases the speed 16 times while the GPU acceleration speeds it up 25 times. When used simultaneously, they provide a speed gain of 292 times
CMFD and GPU acceleration on method of characteristics for hexagonal cores
Energy Technology Data Exchange (ETDEWEB)
Han, Yu, E-mail: hanyu1203@gmail.com [School of Nuclear Science and Engineering, Shanghai Jiaotong University, Shanghai 200240 (China); Jiang, Xiaofeng [Shanghai NuStar Nuclear Power Technology Co., Ltd., No. 81 South Qinzhou Road, XuJiaHui District, Shanghai 200000 (China); Wang, Dezhong [School of Nuclear Science and Engineering, Shanghai Jiaotong University, Shanghai 200240 (China)
2014-12-15
Highlights: • A merged hex-mesh CMFD method solved via tri-diagonal matrix inversion. • Alternative hardware acceleration of using inexpensive GPU. • A hex-core benchmark with solution to confirm two acceleration methods. - Abstract: Coarse Mesh Finite Difference (CMFD) has been widely adopted as an effective way to accelerate the source iteration of transport calculation. However in a core with hexagonal assemblies there are non-hexagonal meshes around the edges of assemblies, causing a problem for CMFD if the CMFD equations are still to be solved via tri-diagonal matrix inversion by simply scanning the whole core meshes in different directions. To solve this problem, we propose an unequal mesh CMFD formulation that combines the non-hexagonal cells on the boundary of neighboring assemblies into non-regular hexagonal cells. We also investigated the alternative hardware acceleration of using graphics processing units (GPU) with graphics card in a personal computer. The tool CUDA is employed, which is a parallel computing platform and programming model invented by the company NVIDIA for harnessing the power of GPU. To investigate and implement these two acceleration methods, a 2-D hexagonal core transport code using the method of characteristics (MOC) is developed. A hexagonal mini-core benchmark problem is established to confirm the accuracy of the MOC code and to assess the effectiveness of CMFD and GPU parallel acceleration. For this benchmark problem, the CMFD acceleration increases the speed 16 times while the GPU acceleration speeds it up 25 times. When used simultaneously, they provide a speed gain of 292 times.
Water flow and solute transport through fractured rock
International Nuclear Information System (INIS)
Bolt, J.E.; Bourke, P.J.; Pascoe, D.M.; Watkins, V.M.B.; Kingdon, R.D.
1990-09-01
In densely fractured slate at the Nirex research site in Cornwall, the positions, orientations and hydraulic conductivities of the 380 fractures intersecting a drill hole between 9 and 50 m depth have been individually measured. These data have been used: to determine the dimensions of statistically representative volumes of the network of fractures and to predict, using discrete flow path modelling and the NAPSAC code, the total flows into the fractures when large numbers are simultaneously pressurised along various lengths of the hole. Corresponding measurements, which validated the NAPSAC code to factor of two accuracy for the Cornish site, are reported. Possibilities accounting for this factor are noted for experimental investigation, and continuing, more extensive, inter hole flow and transport measurements are outlined. The application of this experimental and theoretical approach for calculating radionuclide transport in less densely fractured rock suitable for waste disposal is discussed. (Author)
Energy Technology Data Exchange (ETDEWEB)
Himmelsbach, T. [Ruhr-Univ., Bochum (Germany). Dept. of Applied Geology; Hoetzl, H. [Univ. of Karlsruhe (Germany). Dept. of Applied Geology; Maloszewski, P. [GSF-Inst. for Hydrology, Munich-Neuherberg (Germany)
1998-09-01
The results of field tracer experiments performed in the Lindau fractured rock test site (southern Black Forest, Germany) and subsequent modeling are presented. A vertical, hydrothermally mineralized fault zone, with a permeability much greater than the surrounding granite mass, lies beneath a planned dam site. A dense network of boreholes and tunnels were used to investigate scaling effects of solute transport processes in fractured rock. A series of tracer experiments using deuterium and dye tracers were performed over varying distances and under different testing procedures, resulting in different flow field conditions. Large-scale tracer experiments were performed under natural flow field conditions, while small-scale tracer experiments were performed under artificially induced radial-convergent and injection-withdrawal flow fields. The tracer concentration curves observed in all experiments were strongly influenced by the matrix diffusion. The curves were evaluated with the one-dimensional single fissure dispersion model (SFDM) adjusted for the different flow field conditions. The fitting model parameters found determined the fracture aperture, and matrix and fissure porosities. The determined fracture aperture varied between the sections having different hydraulic conductivity. The determined values of matrix porosity seemed to be independent of the scale of the experiment. The modeled matrix porosities agreed well with values determined in independent laboratory investigations of drill cores using mercury porosimetry. In situ fissure porosity, determined only in small-scale experiments, was independent of the applied geometry of the artificially induced flow fields. The dispersivities were found to be independent of the scale of experiment but dependent on the flow conditions. The values found in forced gradient tests lie between 0.2 and 0.3 m, while values in experiments performed under natural flow conditions were one order of magnitude higher.
Directory of Open Access Journals (Sweden)
Jacek Waniewski
2016-01-01
Full Text Available During peritoneal dialysis (PD, the peritoneal membrane undergoes ageing processes that affect its function. Here we analyzed associations of patient age and dialysis vintage with parameters of peritoneal transport of fluid and solutes, directly measured and estimated based on the pore model, for individual patients. Thirty-three patients (15 females; age 60 (21–87 years; median time on PD 19 (3–100 months underwent sequential peritoneal equilibration test. Dialysis vintage and patient age did not correlate. Estimation of parameters of the two-pore model of peritoneal transport was performed. The estimated fluid transport parameters, including hydraulic permeability (LpS, fraction of ultrasmall pores (αu, osmotic conductance for glucose (OCG, and peritoneal absorption, were generally independent of solute transport parameters (diffusive mass transport parameters. Fluid transport parameters correlated whereas transport parameters for small solutes and proteins did not correlate with dialysis vintage and patient age. Although LpS and OCG were lower for older patients and those with long dialysis vintage, αu was higher. Thus, fluid transport parameters—rather than solute transport parameters—are linked to dialysis vintage and patient age and should therefore be included when monitoring processes linked to ageing of the peritoneal membrane.
Waniewski, Jacek; Antosiewicz, Stefan; Baczynski, Daniel; Poleszczuk, Jan; Pietribiasi, Mauro; Lindholm, Bengt; Wankowicz, Zofia
2016-01-01
During peritoneal dialysis (PD), the peritoneal membrane undergoes ageing processes that affect its function. Here we analyzed associations of patient age and dialysis vintage with parameters of peritoneal transport of fluid and solutes, directly measured and estimated based on the pore model, for individual patients. Thirty-three patients (15 females; age 60 (21–87) years; median time on PD 19 (3–100) months) underwent sequential peritoneal equilibration test. Dialysis vintage and patient age did not correlate. Estimation of parameters of the two-pore model of peritoneal transport was performed. The estimated fluid transport parameters, including hydraulic permeability (LpS), fraction of ultrasmall pores (α u), osmotic conductance for glucose (OCG), and peritoneal absorption, were generally independent of solute transport parameters (diffusive mass transport parameters). Fluid transport parameters correlated whereas transport parameters for small solutes and proteins did not correlate with dialysis vintage and patient age. Although LpS and OCG were lower for older patients and those with long dialysis vintage, αu was higher. Thus, fluid transport parameters—rather than solute transport parameters—are linked to dialysis vintage and patient age and should therefore be included when monitoring processes linked to ageing of the peritoneal membrane. PMID:26989432
Water and solute transport across the peritoneal membrane.
Morelle, Johann; Devuyst, Olivier
2015-09-01
We review the molecular mechanisms of peritoneal transport and discuss how a better understanding of these mechanisms is relevant for dialysis therapy. Peritoneal dialysis involves diffusion and osmosis through the highly vascularized peritoneal membrane. Computer simulations, expression studies and functional analyses in Aqp1 knockout mice demonstrated the critical role of the water channel aquaporin-1 (AQP1) in water removal during peritoneal dialysis. Pharmacologic regulation of AQP1, either through increased expression or gating, is associated with increased water transport in rodent models of peritoneal dialysis. Water transport is impaired during acute peritonitis, despite unchanged expression of AQP1, resulting from the increased microvascular area that dissipates the osmotic gradient across the membrane. In long-term peritoneal dialysis patients, the fibrotic interstitium also impairs water transport, resulting in ultrafiltration failure. Recent data suggest that stroke and drug intoxications might benefit from peritoneal dialysis and could represent novel applications of peritoneal transport in the future. A better understanding of the regulation of osmotic water transport across the peritoneum offers novel insights into the role of water channels in microvascular endothelia, the functional importance of structural changes in the peritoneal interstitium and the transport of water and solutes across biological membranes in general.
Hydrophilic solute transport across the rat blood-brain barrier
International Nuclear Information System (INIS)
Lucchesi, K.J.
1987-01-01
Brain capillary permeability-surface area products (PS) of hydrophilic solutes ranging in size from 180 to 5,500 Daltons were measured in rats according to the method of Ohno, Pettigrew and Rapoport. The distribution volume of 70 KD dextran at 10 minutes after i.v. injection was also measured to determine the residual volume of blood in brain tissue at the time of sacrifice. Small test solutes were injected in pairs in order to elucidate whether their transfer into the brain proceeds by diffusion through water- or lipid-filled channels or by vesicular transport. This issue was examined in rats whose blood-brain barrier (BBB) was presumed to be intact (untreated) and in rats that received intracarotid infusions to open the BBB (isosmotic salt (ISS) and hyperosmolar arabinose). Ohno PS values of 3 H-inulin and 14 C-L-glucose in untreated rats were found to decrease as the labelling time was lengthened. This was evidence that a rapidly equilibrating compartment exists between blood and brain that renders the Ohno two-compartment model inadequate for computing true transfer rate constants. When the data were reanalyzed using a multi-compartment graphical analysis, solutes with different molecular radii were found to enter the brain at approximately equal rates. Furthermore, unidirectional transport is likely to be initiated by solute adsorption to a glycocalyx coat on the luminal surface of brain capillary endothelium. Apparently, more inulin than L-glucose was adsorbed, which may account for its slightly faster transfer across the BBB. After rats were treated with intracarotid infusions of ISS or hyperosmolar arabinose, solute PS values were significantly increased, but the ratio of PS for each of the solute pairs approached that of their free-diffusion coefficients
Predictability of solute transport in diffusion-controlled hydrogeologic regimes
International Nuclear Information System (INIS)
Gillham, R.W.; Cherry, J.A.
1983-01-01
Hydrogeologic regimes that are favourable for the subsurface management of low-level radioactive wastes must have transport properties that will limit the migration velocity of contaminants to some acceptably low value. Of equal importance, for the purpose of impact assessment and licensing, is the need to be able to predict, with a reasonable degree of certainty and over long time periods, what the migration velocity of the various contaminants of interest will be. This paper presents arguments to show that in addition to having favourable velocity characteristics, transport in saturated, diffusion-controlled hydrogeologic regimes is considerably more predictable than in the most common alternatives. The classical transport models for unsaturated, saturated-advection-controlled and saturated-diffusion-controlled environments are compared, with particular consideration being given to the difficulties associated with the characterization of the respective transport parameters. Results are presented which show that the diffusion of non-reactive solutes and solutes that react according to a constant partitioning ratio (K/sub d/) are highly predictable under laboratory conditions and that the diffusion coefficients for the reactive solutes can be determined with a reasonable degree of accuracy from independent measurements of bulk density, porosity, distribution coefficient and tortuosity. Field evidence is presented which shows that the distribution of environmental isotopes and chloride in thick clayey deposits is consistent with a diffusion-type transport process in these media. These results are particularly important in that they not only demonstrate the occurrence of diffusion-controlled hydrogeologic regimes, but they also demonstrate the predictability of the migration characteristics over very long time periods
Cui, Yi-an; Liu, Lanbo; Zhu, Xiaoxiong
2017-08-01
Monitoring the extent and evolution of contaminant plumes in local and regional groundwater systems from existing landfills is critical in contamination control and remediation. The self-potential survey is an efficient and economical nondestructive geophysical technique that can be used to investigate underground contaminant plumes. Based on the unscented transform, we have built a Kalman filtering cycle to conduct time-lapse data assimilation for monitoring the transport of solute based on the solute transport experiment using a bench-scale physical model. The data assimilation was formed by modeling the evolution based on the random walk model and observation correcting based on the self-potential forward. Thus, monitoring self-potential data can be inverted by the data assimilation technique. As a result, we can reconstruct the dynamic process of the contaminant plume instead of using traditional frame-to-frame static inversion, which may cause inversion artifacts. The data assimilation inversion algorithm was evaluated through noise-added synthetic time-lapse self-potential data. The result of the numerical experiment shows validity, accuracy and tolerance to the noise of the dynamic inversion. To validate the proposed algorithm, we conducted a scaled-down sandbox self-potential observation experiment to generate time-lapse data that closely mimics the real-world contaminant monitoring setup. The results of physical experiments support the idea that the data assimilation method is a potentially useful approach for characterizing the transport of contamination plumes using the unscented Kalman filter (UKF) data assimilation technique applied to field time-lapse self-potential data.
Parkhurst, David L.; Kipp, Kenneth L.; Engesgaard, Peter; Charlton, Scott R.
2004-01-01
The computer program PHAST simulates multi-component, reactive solute transport in three-dimensional saturated ground-water flow systems. PHAST is a versatile ground-water flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. PHAST is applicable to the study of natural and contaminated ground-water systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock-water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, density-dependent flow, or waters with high ionic strengths. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux, and leaky conditions, as well as the special cases of rivers and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, gases, surface complexation sites, ion exchange sites, and solid solutions; and (3) kinetic reactions with rates that are a function of solution composition. The aqueous model (elements, chemical reactions, and equilibrium constants), minerals, gases, exchangers, surfaces, and rate expressions may be defined or modified by the user. A number of options are available to save results of simulations to output files. The data may be saved in three formats: a format suitable for viewing with a text editor; a
Energy Technology Data Exchange (ETDEWEB)
Jarsjoe, Jerker; Destouni, Georgia; Persson, Klas; Prieto, Carmen (Dept. of Physical Geography, Quaternary Geology, Stockholm Univ., Stockholm (Sweden))
2007-12-15
We formulate a general theoretical conceptualisation of solute transport from inland sources to downstream recipients, considering main recipient load contributions from all different nutrient and pollutant sources that may exist within any catchment. Since the conceptualisation is model independent, its main hydrological factors and mass delivery factors can be quantified on the basis of inputs to and outputs from any considered analytical or numerical model. Some of the conceptually considered source contribution and transport pathway combinations are however commonly neglected in catchment-scale solute transport and attenuation modelling, in particular those related to subsurface sources, diffuse sources at the land surface and direct groundwater transport into the recipient. The conceptual framework provides a possible tool for clarification of underlying and often implicit model assumptions, which can be useful for e.g. inter-model comparisons. In order to further clarify and explain research questions that may be of particular importance for transport pathways from deep groundwater surrounding a repository, we concretise and interpret some selected transport scenarios for model conditions in the Forsmark area. Possible uncertainties in coastal discharge predictions, related to uncertain spatial variation of evapotranspiration within the catchment, were shown to be small for the relatively large, focused surface water discharges from land to sea, because local differences were averaged out along the length of the main water flow paths. In contrast, local flux values within the diffuse groundwater flow field from land to sea are more uncertain, although estimates of mean values and total sums of submarine groundwater discharge (SGD) along some considerable coastline length may be robust. The present results show that 80% to 90% of the total coastal discharge of Forsmark occurred through focused flows in visible streams, whereas the remaining 10% to 20% was
International Nuclear Information System (INIS)
Jarsjoe, Jerker; Destouni, Georgia; Persson, Klas; Prieto, Carmen
2007-12-01
We formulate a general theoretical conceptualisation of solute transport from inland sources to downstream recipients, considering main recipient load contributions from all different nutrient and pollutant sources that may exist within any catchment. Since the conceptualisation is model independent, its main hydrological factors and mass delivery factors can be quantified on the basis of inputs to and outputs from any considered analytical or numerical model. Some of the conceptually considered source contribution and transport pathway combinations are however commonly neglected in catchment-scale solute transport and attenuation modelling, in particular those related to subsurface sources, diffuse sources at the land surface and direct groundwater transport into the recipient. The conceptual framework provides a possible tool for clarification of underlying and often implicit model assumptions, which can be useful for e.g. inter-model comparisons. In order to further clarify and explain research questions that may be of particular importance for transport pathways from deep groundwater surrounding a repository, we concretise and interpret some selected transport scenarios for model conditions in the Forsmark area. Possible uncertainties in coastal discharge predictions, related to uncertain spatial variation of evapotranspiration within the catchment, were shown to be small for the relatively large, focused surface water discharges from land to sea, because local differences were averaged out along the length of the main water flow paths. In contrast, local flux values within the diffuse groundwater flow field from land to sea are more uncertain, although estimates of mean values and total sums of submarine groundwater discharge (SGD) along some considerable coastline length may be robust. The present results show that 80% to 90% of the total coastal discharge of Forsmark occurred through focused flows in visible streams, whereas the remaining 10% to 20% was
Investigating the effect of compression on solute transport through degrading municipal solid waste
Energy Technology Data Exchange (ETDEWEB)
Woodman, N.D., E-mail: n.d.woodman@soton.ac.uk; Rees-White, T.C.; Stringfellow, A.M.; Beaven, R.P.; Hudson, A.P.
2014-11-15
Highlights: • The influence of compression on MSW flushing was evaluated using 13 tracer tests. • Compression has little effect on solute diffusion times in MSW. • Lithium tracer was conservative in non-degrading waste but not in degrading waste. • Bromide tracer was conservative, but deuterium was not. - Abstract: The effect of applied compression on the nature of liquid flow and hence the movement of contaminants within municipal solid waste was examined by means of thirteen tracer tests conducted on five separate waste samples. The conservative nature of bromide, lithium and deuterium tracers was evaluated and linked to the presence of degradation in the sample. Lithium and deuterium tracers were non-conservative in the presence of degradation, whereas the bromide remained effectively conservative under all conditions. Solute diffusion times into and out of less mobile blocks of waste were compared for each test under the assumption of dominantly dual-porosity flow. Despite the fact that hydraulic conductivity changed strongly with applied stress, the block diffusion times were found to be much less sensitive to compression. A simple conceptual model, whereby flow is dominated by sub-parallel low permeability obstructions which define predominantly horizontally aligned less mobile zones, is able to explain this result. Compression tends to narrow the gap between the obstructions, but not significantly alter the horizontal length scale. Irrespective of knowledge of the true flow pattern, these results show that simple models of solute flushing from landfill which do not include depth dependent changes in solute transport parameters are justified.
Capillary-Driven Solute Transport and Precipitation in Porous Media during Dry-Out
Ott, Holger; Andrew, Matthew; Blunt, Martin; Snippe, Jeroen
2014-05-01
The injection of dry or under-saturated gases or supercritical (SC) fluids into water bearing formations might lead to a formation dry-out in the vicinity of the injection well. The dry-out is caused by the evaporation/dissolution of formation water into the injected fluid and the subsequent transport of dissolved water in the injected fluid away from the injection well. Dry-out results in precipitation from solutes of the formation brine and consequently leads to a reduction of the rock's pore space (porosity) and eventually to a reduction of permeability near the injection well, or even to the loss of injectivity. Recently evidence has been found that the complexity of the pore space and the respective capillary driven solute transport plays a key role. While no effective-permeability (Keff) reduction was observed in a single-porosity sandstone, multi porosity carbonate rocks responded to precipitation with a strong reduction of Keff. The reason for the different response of Keff to salt precipitation is suspected to be in the exact location of the precipitate (solid salt) in the pore space. In this study, we investigate dry-out and salt precipitation due to supercritical CO2 injection in single and multi-porosity systems under near well-bore conditions. We image fluid saturation changes by means of μCT scanning during desaturation. We are able to observe capillary driven transport of the brine phase and the respective transport of solutes on the rock's pore scale. Finally we have access to the precipitated solid-salt phase and their distribution. The results can proof the thought models behind permeability porosity relationships K(φ) for injectivity modeling. The topic and the mechanisms we show are of general interest for drying processes in porous material such as soils and paper.
International Nuclear Information System (INIS)
Le Tellier, R.; Hebert, A.
2004-01-01
The method of characteristics is well known for its slow convergence; consequently, as it is often done for SN methods, the Generalized Minimal Residual approach (GMRES) has been investigated for its practical implementation and its high reliability. GMRES is one of the most effective Krylov iterative methods to solve large linear systems. Moreover, the system has been 'left preconditioned' with the Algebraic Collapsing Acceleration (ACA) a variant of the Diffusion Synthetic Acceleration (DSA) based on I. Suslov's former works. This paper presents the first numerical results of these methods in 2D geometries with material discontinuities. Indeed, previous investigations have shown a degraded effectiveness of Diffusion Synthetic Accelerations with this kind of geometries. Results are presented for 9 x 9 Cartesian assemblies in terms of the speed of convergence of the inner iterations (fixed source) of the method of characteristics. It shows a significant improvement on the convergence rate. (authors)
Hamamoto, S.; Arihara, M.; Kawamoto, K.; Nishimura, T.; Komatsu, T.; Moldrup, P.
2014-12-01
Subsurface warming driven by global warming, urban heat islands, and increasing use of shallow geothermal heating and cooling systems such as the ground source heat pump, potentially causes changes in subsurface mass transport. Therefore, understanding temperature dependency of the solute transport characteristics is essential to accurately assess environmental risks due to increased subsurface temperature. In this study, one-dimensional solute transport experiments were conducted in soil columns under temperature control to investigate effects of temperature on solute transport parameters, such as solute dispersion and diffusion coefficients, hydraulic conductivity, and retardation factor. Toyoura sand, Kaolin clay, and intact loamy soils were used in the experiments. Intact loamy soils were taken during a deep well boring at the Arakawa Lowland in Saitama Prefecture, Japan. In the transport experiments, the core sample with 5-cm diameter and 4-cm height was first isotropically consolidated, whereafter 0.01M KCl solution was injected to the sample from the bottom. The concentrations of K+ and Cl- in the effluents were analyzed by an ion chromatograph to obtain solute breakthrough curves. The solute transport parameters were calculated from the breakthrough curves. The experiments were conducted under different temperature conditions (15, 25, and 40 oC). The retardation factor for the intact loamy soils decreased with increasing temperature, while water permeability increased due to reduced viscosity of water at higher temperature. Opposite, the effect of temperature on solute dispersivity for the intact loamy soils was insignificant. The effects of soil texture on the temperature dependency of the solute transport characteristics will be further investigated from comparison of results from differently-textured samples.
Bodin, Jacques
2015-03-01
In this study, new multi-dimensional time-domain random walk (TDRW) algorithms are derived from approximate one-dimensional (1-D), two-dimensional (2-D), and three-dimensional (3-D) analytical solutions of the advection-dispersion equation and from exact 1-D, 2-D, and 3-D analytical solutions of the pure-diffusion equation. These algorithms enable the calculation of both the time required for a particle to travel a specified distance in a homogeneous medium and the mass recovery at the observation point, which may be incomplete due to 2-D or 3-D transverse dispersion or diffusion. The method is extended to heterogeneous media, represented as a piecewise collection of homogeneous media. The particle motion is then decomposed along a series of intermediate checkpoints located on the medium interface boundaries. The accuracy of the multi-dimensional TDRW method is verified against (i) exact analytical solutions of solute transport in homogeneous media and (ii) finite-difference simulations in a synthetic 2-D heterogeneous medium of simple geometry. The results demonstrate that the method is ideally suited to purely diffusive transport and to advection-dispersion transport problems dominated by advection. Conversely, the method is not recommended for highly dispersive transport problems because the accuracy of the advection-dispersion TDRW algorithms degrades rapidly for a low Péclet number, consistent with the accuracy limit of the approximate analytical solutions. The proposed approach provides a unified methodology for deriving multi-dimensional time-domain particle equations and may be applicable to other mathematical transport models, provided that appropriate analytical solutions are available.
da Silva, Dirceu R; Figueiredo, Ana E; Antonello, Ivan C; Poli de Figueiredo, Carlos E; d'Avila, Domingos O
2008-01-01
Differences in small solutes transport rate (SSTR) during peritoneal dialysis (PD) may affect water and solutes removal. Patients with high SSTR must rely on shorter dwell times and increased dialysate glucose concentrations to keep fluid balance. Glucose absorption during peritoneal dialysis (PD), besides affecting glucose and insulin metabolism, may induce weight gain. The study aimed at examining acute glucose and insulin serum level changes and other potential relationships in PD patients with diverse SSTR. This cross-sectional study used a modified peritoneal equilibration test (PET) that enrolled 34 prevalent PD patients. Zero, 15, 30, 60, 120, 180, and 240-minute glucose and insulin serum levels were measured. Insulin resistance index was assessed by the homeostasis model assessment (HOMA-IR) formula. SSTR categories were classified by quartiles of the four-hour dialysate/serum creatinine ratio (D(4)/P(Cr)). Demographic and clinical variables were evaluated, and the body mass index (BMI) was estimated. Correlations among variables of interest and categories of SSTR were explored. Glucose serum levels were significantly different at 15, 30, and 60 minutes between high and low SSTR categories (p = 0.014, 0.009, and 0.022). Increased BMI (25.5 +/- 5.1) and insulin resistance [HOMA-IR = 2.60 (1.40-4.23)] were evidenced overall. Very strong to moderate correlations between insulin levels along the PET and HOMA-IR (r = 0.973, 0.834, 0.766, 0.728, 0.843, 0.857, 0.882) and BMI (r = 0.562, 0.459, 0.417, 0.370, 0.508, 0.514, 0.483) were disclosed. CONCLUSIONS; Early glucose serum levels were associated with SSTR during a PET. Overweight or obesity and insulin resistance were prevalent. An association between insulin serum levels and BMI was demonstrated.
International Nuclear Information System (INIS)
Tang, Yi.
1991-01-01
A computational procedure was developed in this study to provide flexibility needed in the application of three-dimensional groundwater flow and dissolved multicomponent solute transport simulations. In the first part of this study, analytical solutions were proposed for the dissolved single-component solute transport problem. These closed form solutions were developed for homogeneous but stratified porous media. This analytical model took into account two-dimensional diffusion-advection in the main aquifer layer and one-dimensional diffusion-advection in the adjacent aquitards, as well as first order radioactive decay and linear adsorption isotherm in both aquifer and aquitards. The associated analytical solutions for solute concentration distributions in the aquifer and aquitards were obtained using Laplace Transformation and Method of Separation of Variables techniques. Next, in order to analyze the problem numerically, a quasi-three-dimensional finite element algorithm was developed based on the multilayer aquifer concept. In this phase, advection, dispersion, adsorption and first order multi-species chemical reaction terms were included to the analysis. Employing this model, without restriction on groundwater flow pattern in the multilayer aquifer system, one may analyze the complex behavior of the groundwater flow and solute movement pattern in the system. These numerical models may be utilized as calibration tools in site characterization studies, or as predictive models during the initial stages of a typical site investigation study. Through application to several test and field problems, the usefulness, accuracy and efficiency of the proposed models were demonstrated. Comparison of results with analytical solution, experimental data and other numerical methods were also discussed
Core2D. A code for non-isothermal water flow and reactive solute transport. Users manual version 2
International Nuclear Information System (INIS)
Samper, J.; Juncosa, R.; Delgado, J.; Montenegro, L.
2000-01-01
Understanding natural groundwater quality patterns, quantifying groundwater pollution and assessing the effects of waste disposal, require modeling tools accounting for water flow, and transport of heat and dissolved species as well as their complex interactions with solid and gases phases. This report contains the users manual of CORE ''2D Version V.2.0, a COde for modeling water flow (saturated and unsaturated), heat transport and multicomponent Reactive solute transport under both local chemical equilibrium and kinetic conditions. it is an updated and improved version of CORE-LE-2D V0 (Samper et al., 1988) which in turns is an extended version of TRANQUI, a previous reactive transport code (ENRESA, 1995). All these codes were developed within the context of Research Projects funded by ENRESA and the European Commission. (Author)
Core 2D. A code for non-isothermal water flow and reactive solute transport. Users manual version 2
Energy Technology Data Exchange (ETDEWEB)
Samper, J; Juncosa, R; Delgado, J; Montenegro, L [Universidad de A Coruna (Spain)
2000-07-01
Understanding natural groundwater quality patterns, quantifying groundwater pollution and assessing the effects of waste disposal, require modeling tools accounting for water flow, and transport of heat and dissolved species as well as their complex interactions with solid and gases phases. This report contains the users manual of CORE ''2D Version V.2.0, a COde for modeling water flow (saturated and unsaturated), heat transport and multicomponent Reactive solute transport under both local chemical equilibrium and kinetic conditions. it is an updated and improved version of CORE-LE-2D V0 (Samper et al., 1988) which in turns is an extended version of TRANQUI, a previous reactive transport code (ENRESA, 1995). All these codes were developed within the context of Research Projects funded by ENRESA and the European Commission. (Author)
Core 2D. A code for non-isothermal water flow and reactive solute transport. Users manual version 2
Energy Technology Data Exchange (ETDEWEB)
Samper, J.; Juncosa, R.; Delgado, J.; Montenegro, L. [Universidad de A Coruna (Spain)
2000-07-01
Understanding natural groundwater quality patterns, quantifying groundwater pollution and assessing the effects of waste disposal, require modeling tools accounting for water flow, and transport of heat and dissolved species as well as their complex interactions with solid and gases phases. This report contains the users manual of CORE ''2D Version V.2.0, a COde for modeling water flow (saturated and unsaturated), heat transport and multicomponent Reactive solute transport under both local chemical equilibrium and kinetic conditions. it is an updated and improved version of CORE-LE-2D V0 (Samper et al., 1988) which in turns is an extended version of TRANQUI, a previous reactive transport code (ENRESA, 1995). All these codes were developed within the context of Research Projects funded by ENRESA and the European Commission. (Author)
International Nuclear Information System (INIS)
Hendry, M. Jim; Novakowski, Kent; Smith, Laura; Koehler, Geoff; Wassenaar, L.I.
2012-01-01
Document available in abstract form only. The hydrogeologic evolution of sedimentary basins is generally determined from hydraulic and chemical data collected from aquifers. Hydraulic and chemical data from aquitards, which constitute a much greater volume of basins than aquifers and provide important controls on water and solute transport in the basins, are generally not collected nor studied. In this study we characterized the paleo-groundwater flow and solute transport controls through a vertical section of Cretaceous sediments in the Williston Basin, Canada located near Esterhazy, Saskatchewan. It consists of 384 m of thick argillaceous sediment (aquitard) overlying 93 m of heterogeneous calcareous silt, shale and sandstone (Mannville Fm.; aquifer). Paleo-hydrologic conditions were determined by interpreting high-resolution depth profiles of natural tracers of water isotopes (δ 18 O and (δ 2 H) and Cl- measured on (1) continuous core samples through the aquitard, upper aquifer, and thin Quaternary sediments, (2) water samples collected from monitoring wells installed in the aquifer and the Quaternary sediments, and (3) water samples collected from mine shaft inflows to 900 m below ground. 1D numerical transport modeling reproduced the measured profiles and yielded valuable information on the large-scale and long-term transport behavior in both the Cretaceous aquitard and the Basin. In the modeling, the shapes of the tracer profiles was explained by diffusion with paleo-events identified from the modeling including the introduction of fresher water into the aquifer possibly from the onset of glaciation (activation of the lower boundary) about 1 Ma ago and the impact of the most recent deglaciation about 10 ka ago (activation of the upper boundary). These findings show that the hydrogeologic conditions in deep, extensive basins, such as the Williston Basin, cannot be assumed to be static over geologic time. (authors)
Energy Technology Data Exchange (ETDEWEB)
Joe, Justin H. [BNF Consulting (United States); Kim, Seung Jun, E-mail: skim@lanl.gov [Mechanical and Thermal Engineering Group (AET-1), Los Alamos National Laboratory (United States); Jones, Barclay G. [Department of Nuclear Plasma Radiological Engineering, University of Illinois Urbana-Champaign (United States)
2016-04-15
Highlights: • We model a 3-D numerical solute transport within crud deposit on PWR fuel pin. • Source term effect from radiolysis yield and recombination is minimal. • Lower crud porosity leads substantially higher concentration of solutes. • Thicker crud deposit generates substantially higher concentration of solutes. • High concentration of radiolysis species (H{sub 2}, O{sub 2}, and H{sub 2}O{sub 2}) can be directly related to corrosion issues on fuel cladding. - Abstract: This research examines the concentration of radiolysis species (H{sub 2}, O{sub 2}, and H{sub 2}O{sub 2}) over the porous crud layer using a three dimensional time dependent solute transport model. A Monte Carlo random walk technique is adopted to simulate the transport behavior of the different species with various parametric studies of source term, crud thickness, and crud porosity. Particularly, this model employs a system of coupled mass transport and chemical interactions as the source term, which makes the problem non-linear. It is demonstrated that a negligible effect on radiolysis species concentrations change due to the consideration of source term. The crud thickness and porosity effect on the concentration distributions are notably observed. In general, higher concentration starts from the intersection of the heating surface with the chimney wall from the beginning and it reaches the equilibrium state within tens of seconds. The concentration profiles of the radiolysis species H{sub 2}, O{sub 2}, and H{sub 2}O{sub 2} can be directly related to corrosion issues. The direct application of this study to nuclear engineering research is to aid in the design of reactors with higher performance without experiencing an Axial Offset Anomaly (AOA), an unexpected measured shift in axial power distribution from predicted values.
International Nuclear Information System (INIS)
Joe, Justin H.; Kim, Seung Jun; Jones, Barclay G.
2016-01-01
Highlights: • We model a 3-D numerical solute transport within crud deposit on PWR fuel pin. • Source term effect from radiolysis yield and recombination is minimal. • Lower crud porosity leads substantially higher concentration of solutes. • Thicker crud deposit generates substantially higher concentration of solutes. • High concentration of radiolysis species (H 2 , O 2 , and H 2 O 2 ) can be directly related to corrosion issues on fuel cladding. - Abstract: This research examines the concentration of radiolysis species (H 2 , O 2 , and H 2 O 2 ) over the porous crud layer using a three dimensional time dependent solute transport model. A Monte Carlo random walk technique is adopted to simulate the transport behavior of the different species with various parametric studies of source term, crud thickness, and crud porosity. Particularly, this model employs a system of coupled mass transport and chemical interactions as the source term, which makes the problem non-linear. It is demonstrated that a negligible effect on radiolysis species concentrations change due to the consideration of source term. The crud thickness and porosity effect on the concentration distributions are notably observed. In general, higher concentration starts from the intersection of the heating surface with the chimney wall from the beginning and it reaches the equilibrium state within tens of seconds. The concentration profiles of the radiolysis species H 2 , O 2 , and H 2 O 2 can be directly related to corrosion issues. The direct application of this study to nuclear engineering research is to aid in the design of reactors with higher performance without experiencing an Axial Offset Anomaly (AOA), an unexpected measured shift in axial power distribution from predicted values.
Directory of Open Access Journals (Sweden)
Kyong Oh Baek
2018-04-01
Full Text Available There are a number of methods for observing and estimating the transverse dispersion coefficient in an analysis of the solute transport in open channel flow. It may be difficult to select an optimal method to calculate dispersion coefficients from tracer data among numerous methodologies. A flowchart was proposed in this study to select an appropriate method under the transport situation of either time-variant or steady condition. When making the flowchart, the strengths and limitations of the methods were evaluated based on its derivation procedure which was conducted under specific assumptions. Additionally, application examples of these methods on experimental data were illustrated using previous works. Furthermore, the observed dispersion coefficients in a laboratory channel were validated by using transport numerical modeling, and the simulation results were compared with the experimental results from tracer tests. This flowchart may assist in choosing the better methods for determining the transverse dispersion coefficient in various river mixing situations.
DEFF Research Database (Denmark)
Paradelo Pérez, Marcos; Katuwal, Sheela; Møldrup, Per
2016-01-01
-derived parameters by using a best subsets regression analysis. The regression coefficients improved using CTmatrix, limiting macroporosity, and genus density, while the best model for t0.05 used CTmatrix only. The scanning resolution and the time for soil structure development after mechanical activities could......The characterization of soil pore space geometry is important for explaining fluxes of air, water, and solutes through soil and understanding soil hydrogeochemical functions. X-ray computed tomography (CT) can be applied for this characterization, and in this study CT-derived parameters were used...... to explain water, air, and solute transport through soil. Forty-five soil columns (20 by 20 cm) were collected from an agricultural field in Estrup, Denmark, and subsequently scanned using a medical CT scanner. Nonreactive tracer leaching experiments were performed in the laboratory along with measurements...
Proteus-MOC: A 3D deterministic solver incorporating 2D method of characteristics
International Nuclear Information System (INIS)
Marin-Lafleche, A.; Smith, M. A.; Lee, C.
2013-01-01
A new transport solution methodology was developed by combining the two-dimensional method of characteristics with the discontinuous Galerkin method for the treatment of the axial variable. The method, which can be applied to arbitrary extruded geometries, was implemented in PROTEUS-MOC and includes parallelization in group, angle, plane, and space using a top level GMRES linear algebra solver. Verification tests were performed to show accuracy and stability of the method with the increased number of angular directions and mesh elements. Good scalability with parallelism in angle and axial planes is displayed. (authors)
Study on method of characteristics based on cell modular ray tracing
International Nuclear Information System (INIS)
Tang Chuntao; Zhang Shaohong
2009-01-01
To address the issue of accurately solving neutron transport problem in complex geometry, method of characteristics (MOC) is studied in this paper, and a quite effective and memory saving cell modular ray tracing (CMRT) method is developed and related angle discretization and boundary condition handling issues are discussed. A CMRT based MOC code-PEACH is developed and tested against C5G7 MOX benchmark problem. Numerical results demonstrate that PEACH can give excellent accuracy for both k eff and pin power distribution for neutron transport problem. (authors)
Proteus-MOC: A 3D deterministic solver incorporating 2D method of characteristics
Energy Technology Data Exchange (ETDEWEB)
Marin-Lafleche, A.; Smith, M. A.; Lee, C. [Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, IL 60439 (United States)
2013-07-01
A new transport solution methodology was developed by combining the two-dimensional method of characteristics with the discontinuous Galerkin method for the treatment of the axial variable. The method, which can be applied to arbitrary extruded geometries, was implemented in PROTEUS-MOC and includes parallelization in group, angle, plane, and space using a top level GMRES linear algebra solver. Verification tests were performed to show accuracy and stability of the method with the increased number of angular directions and mesh elements. Good scalability with parallelism in angle and axial planes is displayed. (authors)
Explicit evaluation of discontinuities in 2-D unsteady flows solved by the method of characteristics
Osnaghi, C.
When shock waves appear in the numerical solution of flows, a choice is necessary between shock capturing techniques, possible when equations are written in conservative form, and shock fitting techniques. If the second one is preferred, e.g. in order to obtain better definition and more physical description of the shock evolution in time, the method of characteristics is advantageous in the vicinity of the shock and it seems natural to use this method everywhere. This choice requires to improve the efficiency of the numerical scheme in order to produce competitive codes, preserving accuracy and flexibility, which are intrinsic features of the method: this is the goal of the present work.
Solute transport and storage mechanisms in wetlands of the Everglades, south Florida
Harvey, Judson W.; Saiers, James E.; Newlin, Jessica T.
2005-01-01
Solute transport and storage processes in wetlands play an important role in biogeochemical cycling and in wetland water quality functions. In the wetlands of the Everglades, there are few data or guidelines to characterize transport through the heterogeneous flow environment. Our goal was to conduct a tracer study to help quantify solute exchange between the relatively fast flowing water in the open part of the water column and much more slowly moving water in thick floating vegetation and in the pore water of the underlying peat. We performed a tracer experiment that consisted of a constant‐rate injection of a sodium bromide (NaBr) solution for 22 hours into a 3 m wide, open‐ended flume channel in Everglades National Park. Arrival of the bromide tracer was monitored at an array of surface water and subsurface samplers for 48 hours at a distance of 6.8 m downstream of the injection. A one‐dimensional transport model was used in combination with an optimization code to identify the values of transport parameters that best explained the tracer observations. Parameters included dimensions and mass transfer coefficients describing exchange with both short (hours) and longer (tens of hours) storage zones as well as the average rates of advection and longitudinal dispersion in the open part of the water column (referred to as the “main flow zone”). Comparison with a more detailed set of tracer measurements tested how well the model's storage zones approximated the average characteristics of tracer movement into and out of the layer of thick floating vegetation and the pore water in the underlying peat. The rate at which the relatively fast moving water in the open water column was exchanged with slowly moving water in the layer of floating vegetation and in sediment pore water amounted to 50 and 3% h−1, respectively. Storage processes decreased the depth‐averaged velocity of surface water by 50% relative to the water velocity in the open part of the water
Development of a particle method of characteristics (PMOC) for one-dimensional shock waves
Hwang, Y.-H.
2018-03-01
In the present study, a particle method of characteristics is put forward to simulate the evolution of one-dimensional shock waves in barotropic gaseous, closed-conduit, open-channel, and two-phase flows. All these flow phenomena can be described with the same set of governing equations. The proposed scheme is established based on the characteristic equations and formulated by assigning the computational particles to move along the characteristic curves. Both the right- and left-running characteristics are traced and represented by their associated computational particles. It inherits the computational merits from the conventional method of characteristics (MOC) and moving particle method, but without their individual deficiencies. In addition, special particles with dual states deduced to the enforcement of the Rankine-Hugoniot relation are deliberately imposed to emulate the shock structure. Numerical tests are carried out by solving some benchmark problems, and the computational results are compared with available analytical solutions. From the derivation procedure and obtained computational results, it is concluded that the proposed PMOC will be a useful tool to replicate one-dimensional shock waves.
International Nuclear Information System (INIS)
Yang Xue; Satvat, Nader
2012-01-01
Highlight: ► A two-dimensional numerical code based on the method of characteristics is developed. ► The complex arbitrary geometries are represented by constructive solid geometry and decomposed by unstructured meshing. ► Excellent agreement between Monte Carlo and the developed code is observed. ► High efficiency is achieved by parallel computing. - Abstract: A transport theory code MOCUM based on the method of characteristics as the flux solver with an advanced general geometry processor has been developed for two-dimensional rectangular and hexagonal lattice and full core neutronics modeling. In the code, the core structure is represented by the constructive solid geometry that uses regularized Boolean operations to build complex geometries from simple polygons. Arbitrary-precision arithmetic is also used in the process of building geometry objects to eliminate the round-off error from the commonly used double precision numbers. Then, the constructed core frame will be decomposed and refined into a Conforming Delaunay Triangulation to ensure the quality of the meshes. The code is fully parallelized using OpenMP and is verified and validated by various benchmarks representing rectangular, hexagonal, plate type and CANDU reactor geometries. Compared with Monte Carlo and deterministic reference solution, MOCUM results are highly accurate. The mentioned characteristics of the MOCUM make it a perfect tool for high fidelity full core calculation for current and GenIV reactor core designs. The detailed representation of reactor physics parameters can enhance the safety margins with acceptable confidence levels, which lead to more economically optimized designs.
Coupled Spatio-Temporal Patterns of Solute Transport, Metabolism and Nutrient Uptake in Streams
Kurz, M. J.; Schmidt, C.
2017-12-01
Slower flow velocities and longer residence times within stream transient storage (TS) zones facilitate interaction between solutes and microbial communities, potentially increasing local rates of metabolic activity. Multiple factors, including channel morphology and substrate, variable hydrology, and seasonal changes in biological and physical parameters, result in changes in the solute transport dynamics and reactivity of TS zones over time and space. These changes would be expected to, in turn, influence rates of whole-stream ecosystem functions such as metabolism and nutrient uptake. However, the linkages between solute transport and ecosystem functioning within TS zones, and the contribution of TS zones to whole-stream functioning, are not always so straight forward. This may be due, in part, to methodological challenges. In this study we investigated the influence of stream channel hydro-morphology and substrate type on reach (103 m) and sub-reach (102 m) scale TS and ecosystem functioning. Patterns in solute transport, metabolism and nitrate uptake were tracked from April through October in two contrasting upland streams using several methods. The two streams, located in the Harz Mountains, Germany, are characterized by differing size (0.02 vs. 0.3 m3/s), dominant stream channel substrate (bedrock vs. alluvium) and sub-reach morphology (predominance of pools, riffles and glides). Solute transport parameters and respiration rates at the reach and sub-reach scale were estimated monthly from coupled pulse injections of the reactive tracer resazurin (Raz) and conservative tracers uranine and salt. Raz, a weakly fluorescent dye, irreversibly transforms to resorufin (Rru) under mildly reducing conditions, providing a proxy for aerobic respiration. Daily rates of primary productivity, respiration and nitrate retention at the reach scale were estimated using the diel cycles in dissolved oxygen and nitrate concentrations measured by in-situ sensors. Preliminary
Acceleration of step and linear discontinuous schemes for the method of characteristics in DRAGON5
Directory of Open Access Journals (Sweden)
Alain Hébert
2017-09-01
Full Text Available The applicability of the algebraic collapsing acceleration (ACA technique to the method of characteristics (MOC in cases with scattering anisotropy and/or linear sources was investigated. Previously, the ACA was proven successful in cases with isotropic scattering and uniform (step sources. A presentation is first made of the MOC implementation, available in the DRAGON5 code. Two categories of schemes are available for integrating the propagation equations: (1 the first category is based on exact integration and leads to the classical step characteristics (SC and linear discontinuous characteristics (LDC schemes and (2 the second category leads to diamond differencing schemes of various orders in space. The acceleration of these MOC schemes using a combination of the generalized minimal residual [GMRES(m] method preconditioned with the ACA technique was focused on. Numerical results are provided for a two-dimensional (2D eight-symmetry pressurized water reactor (PWR assembly mockup in the context of the DRAGON5 code.
High order spatial expansion for the method of characteristics applied to 3-D geometries
International Nuclear Information System (INIS)
Naymeh, L.; Masiello, E.; Sanchez, R.
2013-01-01
The method of characteristics is an efficient and flexible technique to solve the neutron transport equation and has been extensively used in two-dimensional calculations because it permits to deal with complex geometries. However, because of a very fast increase in storage requirements and number of floating operations, its direct application to three-dimensional routine transport calculations it is not still possible. In this work we introduce and analyze several modifications aimed to reduce memory requirements and to diminish the computing burden. We explore high-order spatial approximation, the use of intermediary trajectory-dependent flux expansions and the possibility of dynamic trajectory reconstruction from local tracking for typed subdomains. (authors)
Realization of method of characteristics based on customization of AutoCAD
International Nuclear Information System (INIS)
Chen Qichang; Wu Hongchun; Cao Liangzhi
2009-01-01
The method of characteristics (MOC) solves the neutron transport equation along each characteristics line. Theoretically, it is independent of the geometry shape of boundary and region. However, the geometry should be described, and ray tracing should be carried out firstly. In most of the existing MOC codes, the geometry description and ray tracing still have more or less limitation. To wipe off these geometry limitations for using MOC in more complex fuel assembly calculation, a new MOC code AutoMOC based on the customization of AutoCAD was developed. The numerical results show that AutoMOC not only has high flexibility in geometry but also gives accurate solutions in comparison with state-of-the-art methodologies. (authors)
LOO: a low-order nonlinear transport scheme for acceleration of method of characteristics
International Nuclear Information System (INIS)
Li, Lulu; Smith, Kord; Forget, Benoit; Ferrer, Rodolfo
2015-01-01
This paper presents a new physics-based multi-grid nonlinear acceleration method: the low-order operator method, or LOO. LOO uses a coarse space-angle multi-group method of characteristics (MOC) neutron transport calculation to accelerate the fine space-angle MOC calculation. LOO is designed to capture more angular effects than diffusion-based acceleration methods through a transport-based low-order solver. LOO differs from existing transport-based acceleration schemes in that it emphasizes simplified coarse space-angle characteristics and preserves physics in quadrant phase-space. The details of the method, including the restriction step, the low-order iterative solver and the prolongation step are discussed in this work. LOO shows comparable convergence behavior to coarse mesh finite difference on several two-dimensional benchmark problems while not requiring any under-relaxation, making it a robust acceleration scheme. (author)
A Review of Darcy's Law: Limitations and Alternatives for Predicting Solute Transport
Steenhuis, Tammo; Kung, K.-J. Sam; Jaynes, Dan; Helling, Charles S.; Gish, Tim; Kladivko, Eileen
2016-04-01
Darcy's Law that was derived originally empirically 160 years ago, has been used successfully in calculating the (Darcy) flux in porous media throughout the world. However, field and laboratory experiments have demonstrated that the Darcy flux employed in the convective disperse equation could only successfully predict solute transport under two conditions: (1) uniformly or densely packed porous media; and (2) field soils under relatively dry condition. Employing the Darcy flux for solute transport in porous media with preferential flow pathways was problematic. In this paper we examine the theoretical background behind these field and laboratory observations and then provide an alternative to predict solute movement. By examining the characteristics of the momentum conservation principles on which Darcy's law is based, we show under what conditions Darcy flux can predict solute transport in porous media of various complexity. We find that, based on several case studies with capillary pores, Darcy's Law inherently merges momentum and in that way erases information on pore-scale velocities. For that reason the Darcy flux cannot predict flow in media with preferential flow conduits where individual pore velocities are essential in predicting the shape of the breakthrough curve and especially "the early arrival" of solutes. To overcome the limitations of the assumption in Darcy's law, we use Jury's conceptualization and employ the measured chemical breakthrough curve as input to characterize the impact of individual preferential flow pathways on chemical transport. Specifically, we discuss how best to take advantage of Jury's conceptualization to extract the pore-scale flow velocity to accurately predict chemical transport through soils with preferential flow pathways.
Cremer, Clemens; Neuweiler, Insa
2016-04-01
Flow and solute transport in the shallow subsurface is strongly governed by atmospheric boundary conditions. Erratically varying infiltration and evaporation cycles lead to alternating upward and downward flow, as well as spatially and temporally varying water contents and associated hydraulic conductivity of the prevailing materials. Thus presenting a highly complicated, dynamic system. Knowledge of subsurface solute transport processes is vital to assess e.g. the entry of, potentially hazardous, solutes to the groundwater and nutrient uptake by plant roots and can be gained in many ways. Besides field measurements and numerical simulations, physical laboratory experiments represent a way to establish process understanding and furthermore validate numerical schemes. With the aim to gain a better understanding and to quantify solute transport in the unsaturated shallow subsurface under natural precipitation conditions in heterogeneous media, we conduct physical laboratory experiments in a 22 cm x 8 cm x 1 cm flow cell that is filled with two types of sand and apply cyclic infiltration-evaporation phases at the soil surface. Pressure at the bottom of the domain is kept constant. Following recent studies (Lehmann and Or, 2009; Bechtold et al., 2011a), heterogeneity is introduced by a sharp vertical interface between coarse and fine sand. Fluorescent tracers are used to i) qualitatively visualize transport paths within the domain and ii) quantify solute leaching at the bottom of the domain. Temporal and spatial variations in water content during the experiment are derived from x-ray radiographic images. Monitored water contents between infiltration and evaporation considerably changed in the coarse sand while the fine sand remained saturated throughout the experiments. Lateral solute transport through the interface in both directions at different depths of the investigated soil columns were observed. This depended on the flow rate applied at the soil surface and
The simulation of solute transport: An approach free of numerical dispersion
International Nuclear Information System (INIS)
Carrera, J.; Melloni, G.
1987-01-01
The applicability of most algorithms for simulation of solute transport is limited either by instability or by numerical dispersion, as seen by a review of existing methods. A new approach is proposed that is free of these two problems. The method is based on the mixed Eulerian-Lagrangian formulation of the mass-transport problem, thus ensuring stability. Advection is simulated by a variation of reverse-particle tracking that avoids the accumulation of interpolation errors, thus preventing numerical dispersion. The algorithm has been implemented in a one-dimensional code. Excellent results are obtained, in comparison with an analytical solution. 36 refs., 14 figs., 1 tab
Finite element simulation of moisture movement and solute transport in a large caisson
International Nuclear Information System (INIS)
Huyakorn, P.S.; Jones, B.G.; Parker, J.C.; Wadsworth, T.D.; White, H.O. Jr.
1987-01-01
The results of the solute transport experiments performed on compacted, crushed Bandelier Tuff in caisson B of the experimental cluster described by DePoorter (1981) are simulated. Both one- and three-dimensional simulations of solute transport have been performed using two selected finite element codes. Results of bromide and iodide tracer experiments conducted during near-steady flow conditions have been analyzed for pulse additions made on December 6, 1984, and followed over a period of up to 60 days. In addition, a pulse addition of nonconservative strontium tracer on September 28, 1984, during questionably steady flow conditions has been analyzed over a period of 240 days. One-dimensional finite element flow and transport simulations were carried out assuming the porous medium to be homogeneous and the injection source uniformly distributed. To evaluate effects of the nonuniform source distribution and also to investigate effects of inhomogeneous porous medium properties, three dimensional finite element analyses of transport were carried out. Implications of the three-dimensional effects for the design and analysis of future tracer studies are discussed
Simulation of ground-water flow and solute transport in the Glen Canyon aquifer, East-Central Utah
Freethey, Geoffrey W.; Stolp, Bernard J.
2010-01-01
The extraction of methane from coal beds in the Ferron coal trend in central Utah started in the mid-1980s. Beginning in 1994, water from the extraction process was pressure injected into the Glen Canyon aquifer. The lateral extent of the aquifer that could be affected by injection is about 7,600 square miles. To address regional-scale effects of injection over a decadal time frame, a conceptual model of ground-water movement and transport of dissolved solids was formulated. A numerical model that incorporates aquifer concepts was then constructed and used to simulate injection.The Glen Canyon aquifer within the study area is conceptualized in two parts—an active area of ground-water flow and solute transport that exists between recharge areas in the San Rafael Swell and Desert, Waterpocket Fold, and Henry Mountains and discharge locations along the Muddy, Dirty Devil, San Rafael, and Green Rivers. An area of little or negligible ground-water flow exists north of Price, Utah, and beneath the Wasatch Plateau. Pressurized injection of coal-bed methane production water occurs in this area where dissolved-solids concentrations can be more than 100,000 milligrams per liter. Injection has the potential to increase hydrologic interaction with the active flow area, where dissolved-solids concentrations are generally less than 3,000 milligrams per liter.Pressurized injection of coal-bed methane production water in 1994 initiated a net addition of flow and mass of solutes into the Glen Canyon aquifer. To better understand the regional scale hydrologic interaction between the two areas of the Glen Canyon aquifer, pressurized injection was numerically simulated. Data constraints precluded development of a fully calibrated simulation; instead, an uncalibrated model was constructed that is a plausible representation of the conceptual flow and solute-transport processes. The amount of injected water over the 36-year simulation period is about 25,000 acre-feet. As a result
Solute transport in a well under slow-purge and no-purge conditions
Plummer, M. A.; Britt, S. L.; Martin-Hayden, J. M.
2010-12-01
Non-purge sampling techniques, such as diffusion bags and in-situ sealed samplers, offer reliable and cost-effective groundwater monitoring methods that are a step closer to the goal of real-time monitoring without pumping or sample collection. Non-purge methods are, however, not yet completely accepted because questions remain about how solute concentrations in an unpurged well relate to concentrations in the adjacent formation. To answer questions about how undisturbed well water samples compare to formation concentrations, and to provide the information necessary to interpret results from non-purge monitoring systems, we have conducted a variety of physical experiments and numerical simulations of flow and transport in and through monitoring wells under low-flow and ambient flow conditions. Previous studies of flow and transport in wells used a Darcy’s law - based continuity equation for flow, which is often justified under the strong, forced-convection flow caused by pumping or large vertical hydraulic potential gradients. In our study, we focus on systems with weakly forced convection, where density-driven free convection may be of similar strength. We therefore solved Darcy’s law for porous media domains and the Navier Stokes equations for flow in the well, and coupled solution of the flow equations to that of solute transport. To illustrate expected in-well transport behavior under low-flow conditions, we present results of three particular studies: (1) time-dependent effluent concentrations from a well purged at low-flow pumping rates, (2) solute-driven density effects in a well under ambient horizontal flow and (3) temperature-driven mixing in a shallow well subject to seasonal temperature variations. Results of the first study illustrate that assumptions about the nature of in-well flow have a significant impact on effluent concentration curves even during pumping, with Poiseuille-type flow producing more rapid removal of concentration differences
Mahmoudzadeh, Batoul; Liu, Longcheng; Moreno, Luis; Neretnieks, Ivars
2014-08-01
A model is developed to describe solute transport and retention in fractured rocks. It accounts for advection along the fracture, molecular diffusion from the fracture to the rock matrix composed of several geological layers, adsorption on the fracture surface, adsorption in the rock matrix layers and radioactive decay-chains. The analytical solution, obtained for the Laplace-transformed concentration at the outlet of the flowing channel, can conveniently be transformed back to the time domain by the use of the de Hoog algorithm. This allows one to readily include it into a fracture network model or a channel network model to predict nuclide transport through channels in heterogeneous fractured media consisting of an arbitrary number of rock units with piecewise constant properties. More importantly, the simulations made in this study recommend that it is necessary to account for decay-chains and also rock matrix comprising at least two different geological layers, if justified, in safety and performance assessment of the repositories for spent nuclear fuel. Copyright © 2014 Elsevier B.V. All rights reserved.
Cremer, Clemens; Neuweiler, Insa; Bechtold, Michel; Vanderborght, Jan
2014-05-01
To acquire knowledge of solute transport through the unsaturated zone in the shallow subsurface is decisive to assess groundwater quality, nutrient cycling or to plan remediation strategies. The shallow subsurface is characterized by structural heterogeneity and strongly influenced by atmospheric conditions. This leads to changing flow directions, strong temporal changes in saturation and heterogeneous water fluxes during infiltration and evaporation events. Recent studies (e.g. Lehmann and Or, 2009; Bechtold et al.,2011) demonstrated the importance of lateral flow and solute transport during evaporation conditions (upward flux). The heterogeneous structure in these studies was constructed using two types of sand with strong material contrasts and arranged in parallel with a vertical orientation. Lateral transport and redistribution of solute from coarse to fine media was observed deeper in the soil column and from fine to coarse close to the soil surface. However, if boundary conditions are reversed due to precipitation, the flow field is not necessarily reversed in the same manner, resulting in entirely different transport patterns for downward and upward flow. Therefore, considering net-flow rates alone is misleading when describing transport under those conditions. In this contribution we analyze transport of a solute in the shallow subsurface to assess effects resulting from the temporal change of heterogeneous soil structures due to dynamic flow conditions. Two-dimensional numerical simulations of unsaturated flow and transport are conducted using a coupled finite volume and random walk particle tracking algorithm to quantify solute transport and leaching rates. Following previous studies (Lehmann and Or, 2009; Bechtold et al., 2011), the chosen domain is composed of two materials, coarse and fine sand, arranged in parallel with a vertical orientation. Hence, one sharp interface of strong material heterogeneity is induced. During evaporation both sands are
Benson, Thomas J.
2014-01-01
The Method of Characteristics (MOC) is a classic technique for designing supersonic nozzles. An interactive computer program using MOC has been developed to allow engineers to design and analyze supersonic nozzle flow fields. The program calculates the internal flow for many classic designs, such as a supersonic wind tunnel nozzle, an ideal 2D or axisymmetric nozzle, or a variety of plug nozzles. The program also calculates the plume flow produced by the nozzle and the external flow leading to the nozzle exit. The program can be used to assess the interactions between the internal, external and plume flows. By proper design and operation of the nozzle, it may be possible to lessen the strength of the sonic boom produced at the rear of supersonic aircraft. The program can also calculate non-ideal nozzles, such as simple cone flows, to determine flow divergence and nonuniformities at the exit, and its effect on the plume shape. The computer program is written in Java and is provided as free-ware from the NASA Glenn central software server.
International Nuclear Information System (INIS)
Young, Ryong Park; Nam, Zin Cho
2005-01-01
As the nuclear reactor core becomes more complex, heterogeneous, and geometrically irregular, the method of characteristics (MOC) is gaining its wide use in the neutron transport calculations. However, the long computing times require good acceleration methods. In this paper, the concept of coarse-mesh angular dependent re-balance (CMADR) acceleration is described and applied to the MOC calculation in x-y-z (z-infinite, uniform) geometry. The method is based on the angular dependent re-balance factors defined only on the coarse-mesh boundaries; a coarse-mesh consists of several fine meshes that may be heterogeneous and of mixed geometries with irregular or unstructured mesh shapes. In addition, the coarse-mesh boundaries may not coincide with the structural interfaces of the problem and can be chosen artificially for convenience. CMADR acceleration is tested on several test problems and the results show that CMADR is very effective in reducing the number of iterations and computing times of MOC calculations. Fourier analysis is also provided to investigate convergence of the CMADR method analytically and the results show that CMADR acceleration is unconditionally stable. (authors)
A massively parallel method of characteristic neutral particle transport code for GPUs
International Nuclear Information System (INIS)
Boyd, W. R.; Smith, K.; Forget, B.
2013-01-01
Over the past 20 years, parallel computing has enabled computers to grow ever larger and more powerful while scientific applications have advanced in sophistication and resolution. This trend is being challenged, however, as the power consumption for conventional parallel computing architectures has risen to unsustainable levels and memory limitations have come to dominate compute performance. Heterogeneous computing platforms, such as Graphics Processing Units (GPUs), are an increasingly popular paradigm for solving these issues. This paper explores the applicability of GPUs for deterministic neutron transport. A 2D method of characteristics (MOC) code - OpenMOC - has been developed with solvers for both shared memory multi-core platforms as well as GPUs. The multi-threading and memory locality methodologies for the GPU solver are presented. Performance results for the 2D C5G7 benchmark demonstrate 25-35 x speedup for MOC on the GPU. The lessons learned from this case study will provide the basis for further exploration of MOC on GPUs as well as design decisions for hardware vendors exploring technologies for the next generation of machines for scientific computing. (authors)
Turpin, Jason B.
2004-01-01
One-dimensional water-hammer modeling involves the solution of two coupled non-linear hyperbolic partial differential equations (PDEs). These equations result from applying the principles of conservation of mass and momentum to flow through a pipe, and usually the assumption that the speed at which pressure waves propagate through the pipe is constant. In order to solve these equations for the interested quantities (i.e. pressures and flow rates), they must first be converted to a system of ordinary differential equations (ODEs) by either approximating the spatial derivative terms with numerical techniques or using the Method of Characteristics (MOC). The MOC approach is ideal in that no numerical approximation errors are introduced in converting the original system of PDEs into an equivalent system of ODEs. Unfortunately this resulting system of ODEs is bound by a time step constraint so that when integrating the equations the solution can only be obtained at fixed time intervals. If the fluid system to be modeled also contains dynamic components (i.e. components that are best modeled by a system of ODEs), it may be necessary to take extremely small time steps during certain points of the model simulation in order to achieve stability and/or accuracy in the solution. Coupled together, the fixed time step constraint invoked by the MOC, and the occasional need for extremely small time steps in order to obtain stability and/or accuracy, can greatly increase simulation run times. As one solution to this problem, a method for combining variable step integration (VSI) algorithms with the MOC was developed for modeling water-hammer in systems with highly dynamic components. A case study is presented in which reverse flow through a dual-flapper check valve introduces a water-hammer event. The predicted pressure responses upstream of the check-valve are compared with test data.
Klaus, Julian; Smettem, Keith; Pfister, Laurent; Harris, Nick
2017-04-01
There is ongoing interest in understanding and quantifying the travel times and dispersion of solutes moving through stream environments, including the hyporheic zone and/or in-channel dead zones where retention affects biogeochemical cycling processes that are critical to stream ecosystem functioning. Modelling these transport and retention processes requires acquisition of tracer data from injection experiments where the concentrations are recorded downstream. Such experiments are often time consuming and costly, which may be the reason many modelling studies of chemical transport have tended to rely on relatively few well documented field case studies. This leads to the need of fast and cheap distributed sensor arrays that respond instantly and record chemical transport at points of interest on timescales of seconds at various locations in the stream environment. To tackle this challenge we present data from several tracer experiments carried out in the Attert river catchment in Luxembourg employing low-cost (in the order of a euro per sensor) potentiometric chloride sensors in a distributed array. We injected NaCl under various baseflow conditions in streams of different morphologies and observed solute transport at various distances and locations. This data is used to benchmark the sensors to data obtained from more expensive electrical conductivity meters. Furthermore, the data allowed spatial resolution of hydrodynamic mixing processes and identification of chemical 'dead zones' in the study reaches.
Water and solute transport in agricultural soils predicted by volumetric clay and silt contents
DEFF Research Database (Denmark)
Karup, Dan; Møldrup, Per; Paradelo Pérez, Marcos
2016-01-01
tracer mass could be well fitted to an analytical solution to the classical convection-dispersion equation. Both cumulative tracer mass and concentration as a function of time were hereby reasonable well predicted from the simple inputs of bulk density, clay and silt contents, and applied tracer mass......Solute transport through the soil matrix is heterogeneous and greatly affected by soil texture, soil structure, and macropore networks. This study examined the relationship between tracer breakthrough characteristics, soil hydraulic properties, and basic soil properties. Hundred...... of the soil structure rather than the actual formation of macropores causing preferential flow. The arrival times of 5 % and up to 50 % of the tracer mass were found to be strongly correlated with volumetric fines content. The hereby predicted tracer concentration breakthrough points up to 50% of applied...
Energy Technology Data Exchange (ETDEWEB)
Weihermueller, L
2005-07-01
To date, the understanding of processes, factors, and interactions that influence the amount of extracted water and the solute composition sampled with suction cups is limited. But this information is required for process description of solute transport in natural soils. Improved system understanding can lead to a low cost and easy to install water sampling system which can help to predict solute transport in natural soils for the benefit of environmental protection. The main objectives of this work were to perform numerical simulations with different boundary conditions and to implement the findings in the interpretation of the lysimeter and field experiments. In a first part of this thesis, theoretical considerations on the processes affecting the spatial influence of a suction cup in soil and changes in solute transport initiated by the suction cups are presented, including testing and validation of available model and experimental approaches. In the second part, a detailed experimental study was conducted to obtain data for the comparison of the different soil water sampling systems. Finally, the numerical experiments of the suction cup influence were used for the interpretation of the experimental data. The main goals are summarized as follows: - Characterization of the suction cup activity domain (SCAD), suction cup extraction domain (SCED) and suction cup sampling area (SCSA) of active suction cups (definitions are given in Chapter 6). - Determination of the boundary conditions and soil properties [e.g. infiltration, applied suction, duration of water extraction, soil hydraulic properties and soil heterogeneity] affecting the activity domain, extraction domain and sampling area of a suction cup. - Identification of processes that change the travel time and travel time variance of solutes extracted by suction cups. - Validation of the numerically derived data with analytical and experimental data from literature. - Comparison of the experimental data obtained
International Nuclear Information System (INIS)
Rockhold, M.L.; Wurstner, S.K.
1991-03-01
The objective of this work was to test the ability of the PORFLO-3 computer code to simulate water infiltration and solute transport in dry soils. Data from a field-scale unsaturated zone flow and transport experiment, conducted near Las Cruces, New Mexico, were used for model validation. A spatial moment analysis was used to provide a quantitative basis for comparing the mean simulated and observed flow behavior. The scope of this work was limited to two-dimensional simulations of the second experiment at the Las Cruces trench site. Three simulation cases are presented. The first case represents a uniform soil profile, with homogeneous, isotropic hydraulic and transport properties. The second and third cases represent single stochastic realizations of randomly heterogeneous hydraulic conductivity fields, generated from the cumulative probability distribution of the measured data. Two-dimensional simulations produced water content changes that matched the observed data reasonably well. Models that explicitly incorporated heterogeneous hydraulic conductivity fields reproduced the characteristics of the observed data somewhat better than a uniform, homogeneous model. Improved predictions of water content changes at specific spatial locations were obtained by adjusting the soil hydraulic properties. The results of this study should only be considered a qualitative validation of the PORFLO-3 code. However, the results of this study demonstrate the importance of site-specific data for model calibration. Applications of the code for waste management and remediation activities will require site-specific data for model calibration before defensible predictions of unsaturated flow and containment transport can be made. 23 refs., 16 figs., 3 tabs
DEFF Research Database (Denmark)
Koestel, J. K.; Nørgaard, Trine; Loung, N. M.
2013-01-01
It is known that solute transport through soil is heterogeneous at all spatial scales. However, little data are available to allow quantification of these heterogeneities at the field scale or larger. In this study, we investigated the spatial patterns of soil properties, hydrologic state variables......, and tracer breakthrough curves (BTCs) at the field scale for the inert solute transport under a steady-state irrigation rate which produced near-saturated conditions. Sixty-five undisturbed soil columns approximately 20 cm in height and diameter were sampled from the loamy topsoil of an agricultural field...... to larger water saturation and the activation of larger macropores. Our study provides further evidence that it should be possible to estimate solute transport properties from soil properties such as soil texture or bulk density. We also demonstrated that estimation approaches established for the column...
International Nuclear Information System (INIS)
Dykhuizen, R.C.; Eaton, R.R.; Hopkins, P.L.; Martinez, M.J.
1991-12-01
Numerical results are presented for the Performance Assessment Calculational Exercise (PACE-90). One- and two-dimensional water and solute transport are presented for steady infiltration into Yucca Mountain. Evenly distributed infiltration rates of 0.01, 0.1, and 0.5 mm/yr were considered. The calculations of solute transport show that significant amounts of radionuclides can reach the water table over 100,000 yr at the 0.5 mm/yr rate. For time periods less than 10,000 yr or infiltrations less than 0.1 mm/yr very little solute reaches the water table. The numerical simulations clearly demonstrate that multi-dimensional effects can result in significant decreases in the travel time of solute through the modeled domain. Dual continuum effects are shown to be negligible for the low steady state fluxes considered. However, material heterogeneities may cause local amplification of the flux level in multi-dimensional flows. These higher flux levels may then require modeling of a dual continuum porous medium
Method of Characteristic (MOC) Nozzle Flowfield Solver - User’s Guide and Input Manual Version 2.0
2018-01-01
TECHNICAL REPORT RDMR-SS-17-13 METHOD OF CHARACTERISTIC (MOC) NOZZLE FLOWFIELD SOLVER—USER’S GUIDE AND INPUT MANUAL VERSION 2.0 Kevin D. Kennedy...1 II. PROGRAM READS AND WRITES ...2 B. Program Reads .................................................................................................. 4 C. Program Writes
How ISCO Can Interfere in Soil Pore Distribution and Solute Transport
Favero, M.; Freitas, J. G.; Furquim, S. A. C.; Thomson, N. R.; Cooper, M.
2016-12-01
Recently in situ chemical oxidation (ISCO) has been a remedy of choice for sites contaminated with organic compounds. However, the impact of the chemical oxidant on soil properties and, therefore, on solute transport and remediation efficiency still lacks understanding. This research effort sought to evaluate the changes in soil physical properties and solute transport behavior in a typical tropical soil (Oxisol) resulting from exposure to persulfate. The Oxisol used had a microaggregate structure, resulting in a relatively high hydraulic conductivity despite the high clay content (67%). One-dimensional laboratory experiments were performed using a saturated undisturbed column. The injection of an ideal tracer (bromide), a reactive tracer (phenol) and persulfate (12 ± 1 gL-1 for 30 d) were performed consecutively. The tracer tests were repeated following persulfate injection. Transport parameters (longitudinal dispersivity: αL and retardation factor: R) and the effective porosity (ne) were obtained by fitting the breakthrough curves with an analytical solution for one-dimensional transport. Micromorphological analyses of porosity were conducted on impregnated soil blocks from control and oxidized systems. The bromide and phenol tracer test data yielded αL of 2.431 ± 0.002 cm, ne of 41.99 ± 1.52 %, R of 1.10, and a first-order decay rate coefficient of 6.5x10-5 min-1 prior to persulfate exposure. The effluent persulfate concentration stabilized at C/Co of 0.8 after 4 d of injection and the breakthrough was delayed relative to bromide. Concurrent with the breakthrough of persulfate, the pH decreased and a progressive release of Al (III) over the first 4 d with subsequent stabilization were observed. Following persulfate exposures the hydraulic conductivity increased about one-order of magnitude. Micromorphological analysis showed that persulfate produced alterations in poroids types, with an increase of complex packing voids. It was verified that persulfate
Bright, Daniel J.; Nash, David B.; Martin, Peter
1997-01-01
Ground-water quality in the Lompoc area, especially in the Lompoc plain, is only marginally acceptable for most uses. Demand for ground water has increased for municipal use since the late 1950's and has continued to be high for irrigation on the Lompoc plain, the principal agricultural area in the Santa Ynez River basin. As use has increased, the quality of ground water has deteriorated in some areas of the Lompoc plain. The dissolved-solids concentration in the main zone of the upper aquifer beneath most of the central and western plains has increased from less than 1,000 milligrams per liter in the 1940's to greater than 2,000 milligrams per liter in the 1960's. Dissolved- solids concentration have remained relatively constant since the 1960's. A three-dimensional finite-difference model was used to simulate ground-water flow in the Lompoc area and a two-dimensional finite-element model was used to simulate solute transport to gain a better understanding of the ground-water system and to evaluate the effects of proposed management plans for the ground-water basin. The aquifer system was simulated in the flow model as four horizontal layers. In the area of the Lompoc plain, the layers represent the shallow, middle, and main zones of the upper aquifer, and the lower aquifer. For the Lompoc upland and Lompoc terrace, the four layers represent the lower aquifer. The solute transport model was used to simulate dissolved-solids transport in the main zone of the upper aquifer beneath the Lompoc plain. The flow and solute-transport models were calibrated to transient conditions for 1941-88. A steady-state simulation was made to provide initial conditions for the transient-state simulation by using long-term average (1941-88) recharge rates. Model- simulated hydraulic heads generally were within 5 feet of measured heads in the main zone for transient conditions. Model-simulated dissolved- solids concentrations for the main zone generally differed less than 200milligrams
Directory of Open Access Journals (Sweden)
Cosgrove Leah
2009-08-01
Full Text Available Abstract Background It was hypothesised that colorectal cancer (CRC could be diagnosed in biopsies by measuring the combined expression of a small set of well known genes. Genes were chosen based on their role in either the breakdown of the extracellular matrix or with changes in cellular metabolism both of which are associated with CRC progression Findings Gene expression data derived from quantitative real-time PCR for the solute transporter carriers (SLCs and the invasion-mediating matrix metalloproteinases (MMPs were examined using a Linear Descriminant Analysis (LDA. The combination of MMP-7 and SLC5A8 was found to be the most predictive of CRC. Conclusion A combinatorial analysis technique is an effective method for both furthering our understanding on the molecular basis of some aspects of CRC, as well as for leveraging well defined cancer-related gene sets to identify cancer. In this instance, the combination of MMP-7 and SLC5A8 were optimal for identifying CRC.
Mehdinejadiani, Behrouz
2017-08-01
This study represents the first attempt to estimate the solute transport parameters of the spatial fractional advection-dispersion equation using Bees Algorithm. The numerical studies as well as the experimental studies were performed to certify the integrity of Bees Algorithm. The experimental ones were conducted in a sandbox for homogeneous and heterogeneous soils. A detailed comparative study was carried out between the results obtained from Bees Algorithm and those from Genetic Algorithm and LSQNONLIN routines in FracFit toolbox. The results indicated that, in general, the Bees Algorithm much more accurately appraised the sFADE parameters in comparison with Genetic Algorithm and LSQNONLIN, especially in the heterogeneous soil and for α values near to 1 in the numerical study. Also, the results obtained from Bees Algorithm were more reliable than those from Genetic Algorithm. The Bees Algorithm showed the relative similar performances for all cases, while the Genetic Algorithm and the LSQNONLIN yielded different performances for various cases. The performance of LSQNONLIN strongly depends on the initial guess values so that, compared to the Genetic Algorithm, it can more accurately estimate the sFADE parameters by taking into consideration the suitable initial guess values. To sum up, the Bees Algorithm was found to be very simple, robust and accurate approach to estimate the transport parameters of the spatial fractional advection-dispersion equation. Copyright © 2017 Elsevier B.V. All rights reserved.
Water and Solute Transport in Arid Vadose Zones: Innovations in Measurement and Analysis
International Nuclear Information System (INIS)
Tyler, S W.; Scanlon, Bridget R.; Gee, Glendon W.; Allison, G B.; Parlange, M. B.; Hopmans, J. W.
1999-01-01
Understanding the physics of flow and transport through the vadose zone has advanced significantly in the last three decades. These advances have been made primarily in humid regions or in irrigated agricultural settings. While some of the techniques are useful, many are not suited to arid regions. The fluxes of water and solutes typically found in arid regions are often orders of magnitude smaller than those found in agricultural settings, while the time scales for transport can be orders of magnitude larger. The depth over which transport must be characterized is also often much greater than in humid regions. Rather than relying on advances in applied tracers, arid-zone researchers have developed natural tracer techniques that are capable of quantifying transport over tens to thousands of years. Techniques have been developed to measure the hydraulic properties of sediments at all water contents, including the very dry range and at far greater depths. As arid and semiarid regions come under increased development pressures for such activities as hazardous- and radioactive-waste disposal, the development of techniques and the understanding of water and solute transport have become crucial components in defining the environmental impacts of activities at the landsurface
Mehdinejadiani, Behrouz
2017-08-01
This study represents the first attempt to estimate the solute transport parameters of the spatial fractional advection-dispersion equation using Bees Algorithm. The numerical studies as well as the experimental studies were performed to certify the integrity of Bees Algorithm. The experimental ones were conducted in a sandbox for homogeneous and heterogeneous soils. A detailed comparative study was carried out between the results obtained from Bees Algorithm and those from Genetic Algorithm and LSQNONLIN routines in FracFit toolbox. The results indicated that, in general, the Bees Algorithm much more accurately appraised the sFADE parameters in comparison with Genetic Algorithm and LSQNONLIN, especially in the heterogeneous soil and for α values near to 1 in the numerical study. Also, the results obtained from Bees Algorithm were more reliable than those from Genetic Algorithm. The Bees Algorithm showed the relative similar performances for all cases, while the Genetic Algorithm and the LSQNONLIN yielded different performances for various cases. The performance of LSQNONLIN strongly depends on the initial guess values so that, compared to the Genetic Algorithm, it can more accurately estimate the sFADE parameters by taking into consideration the suitable initial guess values. To sum up, the Bees Algorithm was found to be very simple, robust and accurate approach to estimate the transport parameters of the spatial fractional advection-dispersion equation.
Stochastic Modeling Of Field-Scale Water And Solute Transport Through The Unsaturated Zone Of Soils
DEFF Research Database (Denmark)
Loll, Per
were previously thought not to pose a leaching threat. Thus, a reevaluation of our understanding of the mechanisms governing chemical fate in the unsaturated zone of soils has been necessary, in order for us to make better decisions regarding widely different issues such as agricultural management...... of pesticides and nutrients, and risk identification and assessment at polluted (industrial) sites. One of the key factors requiring our attention when we are trying to predict field-scale chemical leaching is spatial variability of the soil and the influence it exerts on both water and chemical transport...
Moreira, Paulo H S; Van Genuchten, Martinus Th; Orlande, Helcio R B; Cotta, Renato M.
2016-01-01
In this study the hydraulic and solute transport properties of an unsaturated soil were estimated simultaneously from a relatively simple small-scale laboratory column infiltration/outflow experiment. As governing equations we used the Richards equation for variably saturated flow and a physical
Mizutani, Makoto; Ito, Yasuhiko; Mizuno, Masashi; Nishimura, Hayato; Suzuki, Yasuhiro; Hattori, Ryohei; Matsukawa, Yoshihisa; Imai, Masaki; Oliver, Noelynn; Goldschmeding, Roel; Aten, Jan; Krediet, Raymond T.; Yuzawa, Yukio; Matsuo, Seiichi
2010-01-01
Mizutani M, Ito Y, Mizuno M, Nishimura H, Suzuki Y, Hattori R, Matsukawa Y, Imai M, Oliver N, Goldschmeding R, Aten J, Krediet RT, Yuzawa Y, Matsuo S. Connective tissue growth factor (CTGF/CCN2) is increased in peritoneal dialysis patients with high peritoneal solute transport rate. Am J Physiol
Ritschel, Thomas; Totsche, Kai Uwe
2016-03-01
Transport studies that employ column experiments in closed-flow mode complement classical approaches by providing new characteristic features observed in the solute breakthrough and equilibrium between liquid and solid phase. Specific to the closed-flow mode is the recirculation of the effluent to the inflow via a mixing vessel. Depending on the ratio of volumes of mixing vessel and water-filled pore space, a damped oscillating solute concentration emerges in the effluent and mixing vessel. The oscillation characteristics, e.g., frequency, amplitude, and damping, allow for the investigation of solute transport in a similar fashion as known for classical open-flow column experiments. However, the closed loop conserves substances released during transport within the system. In this way, solute and porous medium can equilibrate with respect to physicochemical conditions. With this paper, the features emerging in the breakthrough curves of saturated column experiments run in closed-flow mode and methods of evaluation are illustrated under experimental boundary conditions forcing the appearance of oscillations. We demonstrate that the effective pore water volume and the pumping rate can be determined from a conservative tracer breakthrough curve uniquely. In this way, external preconditioning of the material, e.g., drying, can be avoided. A reactive breakthrough experiment revealed a significant increase in the pore water pH value as a consequence of the closed loop. These results highlight the specific impact of the closed mass balance. Furthermore, the basis for the modeling of closed-flow experiments is given by the derivation of constitutive equations and numerical implementation, validated with the presented experiments.
Nasir Mahmood, Muhammad; Schmidt, Christian; Trauth, Nico
2017-04-01
Stream morphological features, in combination with hydrological variability play a key role in water and solute exchange across surface and subsurface waters. Meanders are prominent morphological features within stream systems which exhibit unique hydrodynamics. The water surface elevation difference across the inner bank of a meander induces lateral hyporheic exchange within the intra-meander region. This hyporheic flow is characterized by considerably prolonged flow paths and residence times (RT) compared to smaller scales of hyporheic exchange. In this study we examine the impact of different meander geometries on the intra-meander hyporheic flow field and solute mobilization under both steady state and transient flow conditions. We developed a number of artificial meander shape scenarios, representing various meander evolution stages, ranging from a typical initial to advanced stage (near cut off ) meander. Three dimensional steady state numerical groundwater flow simulations including the unsaturated zone were performed for the intra-meander region. The meandering stream was implemented in the model by adjusting the top layers of the modelling domain to the streambed elevation and assigning linearly decreasing head boundary conditions to the streambed cells. Residence times for the intra-meander region were computed by advective particle tracking across the inner bank of meander. Selected steady state cases were extended to transient flow simulations to evaluate the impact of stream discharge events on the temporal behavior of the water exchange and solute transport in the intra-meander region. The transient stream discharge was simulated for a number of discharge events of variable duration and peak height using the surface water model HEC-RAS. Transient hydraulic heads obtained from the surface water model were applied as transient head boundary conditions to the streambed cells of the groundwater model. A solute concentration source was added in the
Characterization of a novel organic solute transporter homologue from Clonorchis sinensis.
Directory of Open Access Journals (Sweden)
Yanyan Lu
2018-04-01
Full Text Available Clonorchis sinensis is a liver fluke that can dwell in the bile ducts of mammals. Bile acid transporters function to maintain the homeostasis of bile acids in C. sinensis, as they induce physiological changes or have harmful effects on C. sinensis survival. The organic solute transporter (OST transports mainly bile acid and belongs to the SLC51 subfamily of solute carrier transporters. OST plays a critical role in the recirculation of bile acids in higher animals. In this study, we cloned full-length cDNA of the 480-amino acid OST from C. sinensis (CsOST. Genomic analysis revealed 11 exons and nine introns. The CsOST protein had a 'Solute_trans_a' domain with 67% homology to Schistosoma japonicum OST. For further analysis, the CsOST protein sequence was split into the ordered domain (CsOST-N at the N-terminus and disordered domain (CsOST-C at the C-terminus. The tertiary structure of each domain was built using a threading-based method and determined by manual comparison. In a phylogenetic tree, the CsOST-N domain belonged to the OSTα and CsOST-C to the OSTβ clade. These two domains were more highly conserved with the OST α- and β-subunits at the structure level than at sequence level. These findings suggested that CsOST comprised the OST α- and β-subunits. CsOST was localized in the oral and ventral suckers and in the mesenchymal tissues abundant around the intestine, vitelline glands, uterus, and testes. This study provides fundamental data for the further understanding of homologues in other flukes.
Characterization of a novel organic solute transporter homologue from Clonorchis sinensis
Dai, Fuhong; Lee, Ji-Yun; Pak, Jhang Ho; Sohn, Woon-Mok
2018-01-01
Clonorchis sinensis is a liver fluke that can dwell in the bile ducts of mammals. Bile acid transporters function to maintain the homeostasis of bile acids in C. sinensis, as they induce physiological changes or have harmful effects on C. sinensis survival. The organic solute transporter (OST) transports mainly bile acid and belongs to the SLC51 subfamily of solute carrier transporters. OST plays a critical role in the recirculation of bile acids in higher animals. In this study, we cloned full-length cDNA of the 480-amino acid OST from C. sinensis (CsOST). Genomic analysis revealed 11 exons and nine introns. The CsOST protein had a ‘Solute_trans_a’ domain with 67% homology to Schistosoma japonicum OST. For further analysis, the CsOST protein sequence was split into the ordered domain (CsOST-N) at the N-terminus and disordered domain (CsOST-C) at the C-terminus. The tertiary structure of each domain was built using a threading-based method and determined by manual comparison. In a phylogenetic tree, the CsOST-N domain belonged to the OSTα and CsOST-C to the OSTβ clade. These two domains were more highly conserved with the OST α- and β-subunits at the structure level than at sequence level. These findings suggested that CsOST comprised the OST α- and β-subunits. CsOST was localized in the oral and ventral suckers and in the mesenchymal tissues abundant around the intestine, vitelline glands, uterus, and testes. This study provides fundamental data for the further understanding of homologues in other flukes. PMID:29702646
Effects of chlorpromazine on Na+-K+-ATPase pumping and solute transport in rat hepatocytes
International Nuclear Information System (INIS)
Van Dyke, R.W.; Scharschmidt, B.F.
1987-01-01
Inhibition of Na+-K+-ATPase and sodium-dependent bile acid transport has been suggested as a mechanism for the cholestasis produced by certain drugs such as chlorpromazine. We examined the effects of chlorpromazine (and in selected studies, two of its metabolites) on Na+-K+-ATPase cation pumping (ouabain-suppressible 86 Rb uptake), exchangeable intracellular sodium content, membrane potential (assessed by 36 Cl- distribution), and sodium-dependent transport of taurocholate and alanine in primary cultures of rat hepatocytes. Chlorpromazine (10-300 microM), 7,8-dihydroxychlorpromazine (10-300 microM), and ouabain (0.1-2 mM), but not chlorpromazine sulfoxide, produced a concentration-dependent decrease in Na+-K+-ATPase cation pumping and an increase in intracellular sodium content. Chlorpromazine (100 microM) and ouabain (0.75 mM) also modestly decreased hepatocyte membrane potential. In further studies, chlorpromazine (75 and 100 microM) and ouabain (0.1, 0.5, and 0.75 mM) decreased initial sodium-dependent uptake rates of taurocholate and alanine by 18-63%. Although the steady-state intracellular content of alanine was decreased 25-53% by both agents, chlorpromazine increased the steady-state content of taurocholate by 171% and decreased taurocholate efflux, apparently related to partitioning of taurocholate into a large, slowly turning over intracellular pool. These studies provide direct evidence that chlorpromazine inhibits Na+-K+-ATPase cation pumping in intact cells and that partial inhibition of Na+-K+-ATPase cation pumping is associated with a reduction of both the electrochemical sodium gradient and sodium-dependent solute transport. These effects of chlorpromazine may contribute to chlorpromazine-induced cholestasis in animals and humans
Effects of chlorpromazine on Na+-K+-ATPase pumping and solute transport in rat hepatocytes
Energy Technology Data Exchange (ETDEWEB)
Van Dyke, R.W.; Scharschmidt, B.F.
1987-11-01
Inhibition of Na+-K+-ATPase and sodium-dependent bile acid transport has been suggested as a mechanism for the cholestasis produced by certain drugs such as chlorpromazine. We examined the effects of chlorpromazine (and in selected studies, two of its metabolites) on Na+-K+-ATPase cation pumping (ouabain-suppressible /sup 86/Rb uptake), exchangeable intracellular sodium content, membrane potential (assessed by /sup 36/Cl- distribution), and sodium-dependent transport of taurocholate and alanine in primary cultures of rat hepatocytes. Chlorpromazine (10-300 microM), 7,8-dihydroxychlorpromazine (10-300 microM), and ouabain (0.1-2 mM), but not chlorpromazine sulfoxide, produced a concentration-dependent decrease in Na+-K+-ATPase cation pumping and an increase in intracellular sodium content. Chlorpromazine (100 microM) and ouabain (0.75 mM) also modestly decreased hepatocyte membrane potential. In further studies, chlorpromazine (75 and 100 microM) and ouabain (0.1, 0.5, and 0.75 mM) decreased initial sodium-dependent uptake rates of taurocholate and alanine by 18-63%. Although the steady-state intracellular content of alanine was decreased 25-53% by both agents, chlorpromazine increased the steady-state content of taurocholate by 171% and decreased taurocholate efflux, apparently related to partitioning of taurocholate into a large, slowly turning over intracellular pool. These studies provide direct evidence that chlorpromazine inhibits Na+-K+-ATPase cation pumping in intact cells and that partial inhibition of Na+-K+-ATPase cation pumping is associated with a reduction of both the electrochemical sodium gradient and sodium-dependent solute transport. These effects of chlorpromazine may contribute to chlorpromazine-induced cholestasis in animals and humans.
Umari, Amjad M.J.; Gorelick, Steven M.
1986-01-01
In the numerical modeling of groundwater solute transport, explicit solutions may be obtained for the concentration field at any future time without computing concentrations at intermediate times. The spatial variables are discretized and time is left continuous in the governing differential equation. These semianalytical solutions have been presented in the literature and involve the eigensystem of a coefficient matrix. This eigensystem may be complex (i.e., have imaginary components) due to the asymmetry created by the advection term in the governing advection-dispersion equation. Previous investigators have either used complex arithmetic to represent a complex eigensystem or chosen large dispersivity values for which the imaginary components of the complex eigenvalues may be ignored without significant error. It is shown here that the error due to ignoring the imaginary components of complex eigenvalues is large for small dispersivity values. A new algorithm that represents the complex eigensystem by converting it to a real eigensystem is presented. The method requires only real arithmetic.
Directory of Open Access Journals (Sweden)
Xun Yue
2012-01-01
Full Text Available Aquaporins are multifunctional membrane channels that facilitate the transmembrane transport of water and solutes. When transmembrane mineral nutrient transporters exhibit the same expression patterns as aquaporins under diverse temporal and physiological conditions, there is a greater probability that they interact. In this study, genome-wide temporal profiling of transcripts analysis and coexpression network-based approaches are used to examine the significant specificity correlation of aquaporins and transmembrane solute transporters in developing maize leaf. The results indicate that specific maize aquaporins are related to specific transmembrane solute transporters. The analysis demonstrates a systems-level correlation between aquaporins, nutrient transporters, and the homeostasis of mineral nutrients in developing maize leaf. Our results provide a resource for further studies into the physiological function of these aquaporins.
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Moreira Paulo H. S.
2016-03-01
Full Text Available In this study the hydraulic and solute transport properties of an unsaturated soil were estimated simultaneously from a relatively simple small-scale laboratory column infiltration/outflow experiment. As governing equations we used the Richards equation for variably saturated flow and a physical non-equilibrium dual-porosity type formulation for solute transport. A Bayesian parameter estimation approach was used in which the unknown parameters were estimated with the Markov Chain Monte Carlo (MCMC method through implementation of the Metropolis-Hastings algorithm. Sensitivity coefficients were examined in order to determine the most meaningful measurements for identifying the unknown hydraulic and transport parameters. Results obtained using the measured pressure head and solute concentration data collected during the unsaturated soil column experiment revealed the robustness of the proposed approach.
Evaluation of Front Morphological Development of Reactive Solute Transport Using Behavior Diagrams
Directory of Open Access Journals (Sweden)
Jui-Sheng Chen
2009-01-01
-uniformity strength ratio and reaction rate constant are identified as two important factors that govern the interaction of dissolution and solute transport in groundwater systems.
Smith, Sean G; Griffith, Boyce E; Zaharoff, David A
2018-04-05
Ailments of the bladder are often treated via intravesical delivery-direct application of therapeutic into the bladder through a catheter. This technique is employed hundreds of thousands of times every year, but protocol development has largely been limited to empirical determination. Furthermore, the numerical analyses of intravesical delivery performed to date have been restricted to static geometries and have not accounted for bladder deformation. This study uses a finite element analysis approach with biphasic solute transport to investigate several parameters pertinent to intravesical delivery including solute concentration, solute transport properties and instillation volume. The volume of instillation was found to have a substantial impact on the exposure of solute to the deeper muscle layers of the bladder, which are typically more difficult to reach. Indeed, increasing the instillation volume from 50-100 ml raised the muscle solute exposure as a percentage of overall bladder exposure from 60-70% with higher levels achieved for larger instillation volumes. Similar increases were not seen for changes in solute concentration or solute transport properties. These results indicate the role that instillation volume may play in targeting particular layers of the bladder during an intravesical delivery.
Koestel, J. K.; Norgaard, T.; Luong, N. M.; Vendelboe, A. L.; Moldrup, P.; Jarvis, N. J.; Lamandé, M.; Iversen, B. V.; Wollesen de Jonge, L.
2013-02-01
It is known that solute transport through soil is heterogeneous at all spatial scales. However, little data are available to allow quantification of these heterogeneities at the field scale or larger. In this study, we investigated the spatial patterns of soil properties, hydrologic state variables, and tracer breakthrough curves (BTCs) at the field scale for the inert solute transport under a steady-state irrigation rate which produced near-saturated conditions. Sixty-five undisturbed soil columns approximately 20 cm in height and diameter were sampled from the loamy topsoil of an agricultural field site in Silstrup (Denmark) at a sampling distance of approximately 15 m (with a few exceptions), covering an area of approximately 1 ha (60 m × 165 m). For 64 of the 65 investigated soil columns, we observed BTC shapes indicating a strong preferential transport. The strength of preferential transport was positively correlated with the bulk density and the degree of water saturation. The latter suggests that preferential macropore transport was the dominating transport process. Increased bulk densities were presumably related with a decrease in near-saturated hydraulic conductivities and as a consequence to larger water saturation and the activation of larger macropores. Our study provides further evidence that it should be possible to estimate solute transport properties from soil properties such as soil texture or bulk density. We also demonstrated that estimation approaches established for the column scale have to be upscaled when applied to the field scale or larger.
Tramm, John R.; Gunow, Geoffrey; He, Tim; Smith, Kord S.; Forget, Benoit; Siegel, Andrew R.
2016-05-01
In this study we present and analyze a formulation of the 3D Method of Characteristics (MOC) technique applied to the simulation of full core nuclear reactors. Key features of the algorithm include a task-based parallelism model that allows independent MOC tracks to be assigned to threads dynamically, ensuring load balancing, and a wide vectorizable inner loop that takes advantage of modern SIMD computer architectures. The algorithm is implemented in a set of highly optimized proxy applications in order to investigate its performance characteristics on CPU, GPU, and Intel Xeon Phi architectures. Speed, power, and hardware cost efficiencies are compared. Additionally, performance bottlenecks are identified for each architecture in order to determine the prospects for continued scalability of the algorithm on next generation HPC architectures.
Wang, Bin; Lai, Xiaohan; Price, Christopher; Thompson, William R.; Li, Wen; Quabili, Tonima R.; Tseng, Wei-Ju; Liu, Xiaowei Sherry; Zhang, Hong; Pan, Jun; Kirn-Safran, Catherine B.; Farach-Carson, Mary C.; Wang, Liyun
2013-01-01
The pericellular matrix (PCM), a thin “coating” surrounding nearly all mammalian cells, plays a critical role in many cell-surface phenomena. In osteocytes, the PCM is believed to control both “outside-in” (mechanosensing) and “inside-out” (signaling molecule transport) processes. However, the osteocytic PCM is challenging to study in situ because it is thin (~100nm) and enclosed in mineralized matrix. To this end, we recently developed a novel tracer velocimetry approach that combined fluorescence recovery after photobleaching (FRAP) imaging with hydrodynamic modeling to quantify the osteocytic PCM in young murine bone (Wang et al., J Bone Miner Res. 2013; 28:1075–86). In this study, we applied the technique to older mice expressing or deficient for perlecan/HSPG2, a large heparan-sulfate proteoglycan normally secreted in osteocytic PCM. The objectives were to i) characterize transport within an altered PCM; ii) to test the sensitivity of our approach in detecting the PCM alterations; and iii) to dissect the roles of the PCM in osteocyte mechanosensing. We found that i) solute transport increases in the perlecan-deficient (hypomorphic: Hypo) mice compared with control mice; ii) PCM fiber density decreases with aging and perlecan deficiency; iii) the osteocytes in the Hypo bones are predicted to experience higher shear stress (+34%), but decreased fluid drag force (−35%) under 3N peak tibial loading, and iv) when subjected to tibial loading in a preliminary in vivo experiment, the Hypo mice did not respond to the anabolic stimuli as CTL mice. These findings support the hypothesis that the PCM fibers act as osteocyte’s sensing antennae, regulating load-induced cellular stimulations and thus bone’s sensitivity and in vivo bone adaptation. If this hypothesis is further confirmed, osteocytic PCM could be new targets to develop osteoporosis treatments by modulating bone’s intrinsic sensitivity to mechanical loading and be used to design patient
Development of new multigrid schemes for the method of characteristics in neutron transport theory
International Nuclear Information System (INIS)
Grassi, G.
2006-01-01
This dissertation is based upon our doctoral research that dealt with the conception and development of new non-linear multigrid techniques for the Method of the Characteristics (MOC) within the TDT code. Here we focus upon a two-level scheme consisting of a fine level on which the neutron transport equation is iteratively solved using the MOC algorithm, and a coarse level defined by a more coarsely discretized phase space on which a low-order problem is considered. The solution of this problem is then used in order to correct the angular flux moments resulting from the previous transport iteration. A flux-volume homogenization procedure is employed to evaluate the coarse-level material properties after each transport iteration. This entails the non-linearity of the methods. According to the Generalised Equivalence Theory (GET), additional degrees of freedom are introduced for the low-order problem so that the convergence of the acceleration scheme can be ensured. We present two classes of non-linear methods: transport-like methods and discussion-like methods. Transport-like methods consider a homogenized low-order transport problem on the coarse level. This problem is iteratively solved using the same MOC algorithm as for the transport problem on the fine level. Discontinuity factors are then employed, per region or per surface, in order to reconstruct the currents evaluated by the low-order operator, which ensure the convergence of the acceleration scheme. On the other hand, discussion-like methods consider a low-order problem inspired by diffusion. We studied the non-linear Coarse Mesh Finite Difference (CMFD) method, already present in literature, in the perspective of integrating it into TDT code. Then, we developed a new non-linear method on the model of CMFD. From the latter, we borrowed the idea to establish a simple relation between currents and fluxes in order to obtain a problem involving only coarse fluxes. Finally, those non-linear methods have been
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J. K. Koestel
2012-06-01
Full Text Available Preferential flow is a widespread phenomenon that is known to strongly affect solute transport in soil, but our understanding and knowledge is still poor of the site factors and soil properties that promote it. To investigate these relationships, we assembled a database from the peer-reviewed literature containing information on 733 breakthrough curve experiments under steady-state flow conditions. Most of the collected experiments (585 of the 733 datasets had been conducted on undisturbed soil columns, although some experiments on repacked soil, clean sands, and glass beads were also included. In addition to the apparent dispersivity, we focused our attention on three indicators of preferential solute transport: namely the 5%-arrival time, the holdback factor, and the ratio of piston-flow and average transport velocities. Our results suggest that, in contrast to the 5%-arrival time and the holdback factor, the piston-flow to transport velocity ratio is not related to preferential macropore transport but rather to the exclusion or retardation of the applied tracer. Confirming that the apparent longitudinal dispersivity is positively correlated with the travel distance of the tracer, our results also illustrate that this relationship is refined if the normalized 5%-tracer arrival time is also taken into account. In particular, we found that the degree of preferential solute transport increases with apparent dispersivity and decreases with travel distance. A similar but weaker relationship was observed between apparent dispersivity, 5%-tracer arrival time, and lateral observation scale, such that the degree of preferential transport increases with lateral observation scale. However, we also found that the travel distance and the lateral observation scale in the investigated dataset are correlated, which makes it difficult to distinguish their influence on these transport characteristics. We also found that the strength of preferential transport
Wiley, J.B.
1993-01-01
This report presents the results of a study by the U.S. Geological Survey (USGS), in cooperation with the National Park Service, to investigate the transport and factors affecting mitigation of a hypothetical spill of a soluble contaminant into the New River in the New River Gorge National River, West Virginia. The study reach, 53 miles of the lower New River between Hinton and Fayette, is characterized as a pool-and-riffle stream that becomes narrower, steeper, and deeper in the downstream direction. A USGS unsteady-flow model, DAFLOW (Diffusion Analogy FLOW), and a USGS solute-transport model, BLTM (Branch Lagrangian Transport Model), were applied to the study reach. Increases in discharge caused decreases in peak concentration and traveltime of peak concentration. Decreases in discharge caused increases in peak concentration and traveltime of peak concentration. This study indicated that the effects of an accidental spill could be mitigated by regulating discharge from Bluestone Dam. Knowledge of the chemical characteristics of the spill, location and time of the spill, and discharge of the river can aid in determining a mitigation response.
International Nuclear Information System (INIS)
Yabusaki, S.; Cole, C.; Monti, A.M.; Gupta, S.K.
1987-04-01
Part of the safety analysis is evaluating groundwater flow through the repository and the host rock to the accessible environment by developing mathematical or analytical models and numerical computer codes describing the flow mechanisms. This need led to the establishment of an international project called HYDROCOIN (HYDROlogic COde INtercomparison) organized by the Swedish Nuclear Power Inspectorate, a forum for discussing techniques and strategies in subsurface hydrologic modeling. The major objective of the present effort, HYDROCOIN Level 1, is determining the numerical accuracy of the computer codes. The definition of each case includes the input parameters, the governing equations, the output specifications, and the format. The Coupled Fluid, Energy, and Solute Transport (CFEST) code was applied to solve cases 1, 2, 4, 5, and 7; the Finite Element Three-Dimensional Groundwater (FE3DGW) Flow Model was used to solve case 6. Case 3 has been ignored because unsaturated flow is not pertinent to SRP. This report presents the Level 1 results furnished by the project teams. The numerical accuracy of the codes is determined by (1) comparing the computational results with analytical solutions for cases that have analytical solutions (namely cases 1 and 4), and (2) intercomparing results from codes for cases which do not have analytical solutions (cases 2, 5, 6, and 7). Cases 1, 2, 6, and 7 relate to flow analyses, whereas cases 4 and 5 require nonlinear solutions. 7 refs., 71 figs., 9 tabs
Directory of Open Access Journals (Sweden)
M. C. Gonçalves
2007-07-01
este modelo é uma ferramenta valiosa para previsões a médio/longo prazo da influência da qualidade da água de rega no solo.HYDRUS-1D was used to analyze water flow and solute transport in three soil monoliths (1.2 m² ? 1.0 m that were irrigated during summer months with different quality waters. The soil monoliths were constructed on a Eutric Fluvisol in Alentejo, Portugal. EC of irrigation waters varied between 0.4 and 3.2 dS m-1 and SAR between 1 and 6 (meq L-10.5, maintaining a relation of Ca:Mg equal to 1:2. In the irrigation season, about 500 mm of irrigation water was applied. During the rest of the year, the soil monoliths were subjected to regular rainfall leaching. The objective was to evaluate the effectiveness of the HYDRUS-1D software package to predict water contents and fluxes, concentrations of individual ions (Na+, Ca2+ and Mg2+, electrical conductivity of soil solution (EC, sodium adsorption ratio (SAR and exchangeable sodium percentage (ESP indices under field conditions where salinisation may occur. These variables and indices were monitored from May 2001 to September 2004 at four depths (10, 30, 50, 70 cm in all three soil monoliths. HYDRUS-1D has successfully described field measurements of overall salinity, individual soluble cations, as well as SAR and ESP with regression coefficients close to 1 and determination coefficients ranging from 0.985 to the water content to 0.797 to the soluble calcium simulation.
Zhang, Kejiang; Achari, Gopal; Li, Hua
2009-11-03
Traditionally, uncertainty in parameters are represented as probabilistic distributions and incorporated into groundwater flow and contaminant transport models. With the advent of newer uncertainty theories, it is now understood that stochastic methods cannot properly represent non random uncertainties. In the groundwater flow and contaminant transport equations, uncertainty in some parameters may be random, whereas those of others may be non random. The objective of this paper is to develop a fuzzy-stochastic partial differential equation (FSPDE) model to simulate conditions where both random and non random uncertainties are involved in groundwater flow and solute transport. Three potential solution techniques namely, (a) transforming a probability distribution to a possibility distribution (Method I) then a FSPDE becomes a fuzzy partial differential equation (FPDE), (b) transforming a possibility distribution to a probability distribution (Method II) and then a FSPDE becomes a stochastic partial differential equation (SPDE), and (c) the combination of Monte Carlo methods and FPDE solution techniques (Method III) are proposed and compared. The effects of these three methods on the predictive results are investigated by using two case studies. The results show that the predictions obtained from Method II is a specific case of that got from Method I. When an exact probabilistic result is needed, Method II is suggested. As the loss or gain of information during a probability-possibility (or vice versa) transformation cannot be quantified, their influences on the predictive results is not known. Thus, Method III should probably be preferred for risk assessments.
Cremer, Clemens; Neuweiler, Insa
2017-04-01
Knowledge of subsurface solute transport processes is vital to investigate e.g. groundwater contamination, nutrient uptake by plant roots and to implement remediation strategies. Beside field measurements and numerical simulations, physical laboratory experiments represent a way to establish process understanding and furthermore validate numerical schemes. Atmospheric forcings, such as erratically varying infiltration and evaporation cycles, subject the shallow subsurface to local and temporal variations in water content and associated hydraulic conductivity of the prevailing porous media. Those variations in material properties can cause flow paths to differ between upward and downward flow periods. Thereby, the unsaturated subsurface presents a highly complicated, dynamic system. Following an extensive systematical numerical investigation of flow and transport through bimodal, unsaturated porous media under dynamic boundary conditions (Cremer et al., 2016), we conduct physical laboratory experiments in a 22 cm x 8 cm x 1 cm flow cell where we introduce structural heterogeneity in the form sharp material interfaces between different porous media. In all experiments, a constant pressure head is implemented at the lower boundary, while cyclic infiltration-evaporation phases are applied at the soil surface. As a reference case a stationary infiltration with a rate corresponding to the cycle-averaged infiltration rate is applied. By initial application of dye tracers, solute transport within the domain is visualized such that transport paths and redistribution processes can be observed in a qualitative manner. Solute leaching is quantified at the bottom outlet, where breakthrough curves are obtained via spectroscopy. Liquid and vapor flow in and out of the domain is obtained from multiple balances. Thereby, the interplay of material structural heterogeneity and alternating flow (transport) directions and flow (transport) paths is investigated. Results show lateral
Numerical simulations of groundwater flow and solute transport in the Lake 233 aquifer
Energy Technology Data Exchange (ETDEWEB)
Klukas, M H; Moltyaner, G L
1995-05-01
A three-dimensional numerical flow model of the Lake 233 aquifer underlying the site of the proposed Intrusion Resistant Underground Structure (IRUS) for low level waste disposal is developed. A reference hydraulic conductivity distribution incorporating the key stratigraphic units and field estimates of recharge from Lake 233 are used as model input. The model was calibrated against the measured hydraulic head distribution, the flowpath of a historic {sup 90}Sr plume in the aquifer and measured groundwater velocities. (author). 23 refs., 4 tabs., 31 figs.
Numerical simulations of groundwater flow and solute transport in the Lake 233 aquifer
International Nuclear Information System (INIS)
Klukas, M.H.; Moltyaner, G.L.
1995-05-01
A three-dimensional numerical flow model of the Lake 233 aquifer underlying the site of the proposed Intrusion Resistant Underground Structure (IRUS) for low level waste disposal is developed. A reference hydraulic conductivity distribution incorporating the key stratigraphic units and field estimates of recharge from Lake 233 are used as model input. The model was calibrated against the measured hydraulic head distribution, the flowpath of a historic 90 Sr plume in the aquifer and measured groundwater velocities. (author). 23 refs., 4 tabs., 31 figs
Cholet, Cybèle; Charlier, Jean-Baptiste; Moussa, Roger; Steinmann, Marc; Denimal, Sophie
2017-07-01
The aim of this study is to present a framework that provides new ways to characterize the spatio-temporal variability of lateral exchanges for water flow and solute transport in a karst conduit network during flood events, treating both the diffusive wave equation and the advection-diffusion equation with the same mathematical approach, assuming uniform lateral flow and solute transport. A solution to the inverse problem for the advection-diffusion equations is then applied to data from two successive gauging stations to simulate flows and solute exchange dynamics after recharge. The study site is the karst conduit network of the Fourbanne aquifer in the French Jura Mountains, which includes two reaches characterizing the network from sinkhole to cave stream to the spring. The model is applied, after separation of the base from the flood components, on discharge and total dissolved solids (TDSs) in order to assess lateral flows and solute concentrations and compare them to help identify water origin. The results showed various lateral contributions in space - between the two reaches located in the unsaturated zone (R1), and in the zone that is both unsaturated and saturated (R2) - as well as in time, according to hydrological conditions. Globally, the two reaches show a distinct response to flood routing, with important lateral inflows on R1 and large outflows on R2. By combining these results with solute exchanges and the analysis of flood routing parameters distribution, we showed that lateral inflows on R1 are the addition of diffuse infiltration (observed whatever the hydrological conditions) and localized infiltration in the secondary conduit network (tributaries) in the unsaturated zone, except in extreme dry periods. On R2, despite inflows on the base component, lateral outflows are observed during floods. This pattern was attributed to the concept of reversal flows of conduit-matrix exchanges, inducing a complex water mixing effect in the saturated zone
Directory of Open Access Journals (Sweden)
C. Cholet
2017-07-01
Full Text Available The aim of this study is to present a framework that provides new ways to characterize the spatio-temporal variability of lateral exchanges for water flow and solute transport in a karst conduit network during flood events, treating both the diffusive wave equation and the advection–diffusion equation with the same mathematical approach, assuming uniform lateral flow and solute transport. A solution to the inverse problem for the advection–diffusion equations is then applied to data from two successive gauging stations to simulate flows and solute exchange dynamics after recharge. The study site is the karst conduit network of the Fourbanne aquifer in the French Jura Mountains, which includes two reaches characterizing the network from sinkhole to cave stream to the spring. The model is applied, after separation of the base from the flood components, on discharge and total dissolved solids (TDSs in order to assess lateral flows and solute concentrations and compare them to help identify water origin. The results showed various lateral contributions in space – between the two reaches located in the unsaturated zone (R1, and in the zone that is both unsaturated and saturated (R2 – as well as in time, according to hydrological conditions. Globally, the two reaches show a distinct response to flood routing, with important lateral inflows on R1 and large outflows on R2. By combining these results with solute exchanges and the analysis of flood routing parameters distribution, we showed that lateral inflows on R1 are the addition of diffuse infiltration (observed whatever the hydrological conditions and localized infiltration in the secondary conduit network (tributaries in the unsaturated zone, except in extreme dry periods. On R2, despite inflows on the base component, lateral outflows are observed during floods. This pattern was attributed to the concept of reversal flows of conduit–matrix exchanges, inducing a complex water mixing effect
Simulations of water, heat, and solute transport in partially frozen soils
Wu, Mousong; Jansson, Per-Erik; Tan, Xiao; Huang, Jiesheng; Wu, Jingwei
2016-01-01
Experiments for soil freezing/thawing were conducted in two seasonally frozen agricultural fields in northern China during 2011/2012 and 2012/2013 wintertime, respectively. Mass balance was checked based on measured data at various depths. Simulation work was conducted by combining CoupModel with Monte-Carlo sampling method to achieve parameter sets with equally good performance. Uncertainties existed in both measurements and model due to complexity in freezing/thawing processes as well as in...
International Nuclear Information System (INIS)
Petkov, P.T.
2000-01-01
The method of characteristics (MOC) is gaining increased popularity in the reactor physics community all over the world because it gives a new degree of freedom in nuclear reactor analysis. The MARIKO code solves the neutron transport equation by the MOC in two-dimensional real geometry. The domain of solution can be a rectangle or right hexagon with periodic boundary conditions on the outer boundary. Any reasonable symmetry inside the domain can be fully accounted for. The geometry is described in three levels-macro-cells, cells, and regions. The macro-cells and cells can be any polygon. The outer boundary of a region can be any combination of straight line and circular arc segments. Any level of embedded regions is allowed. Procedures for automatic geometry description of hexagonal fuel assemblies and reflector macro-cells have been developed. The initial ray tracing procedure is performed for the full rectangular or hexagonal domain, but only azimuthal angles in the smallest symmetry interval are tracked. (Authors)
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Shane Stimpson
2017-09-01
Full Text Available An essential component of the neutron transport solver is the resonance self-shielding calculation used to determine equivalence cross sections. The neutron transport code, MPACT, is currently using the subgroup self-shielding method, in which the method of characteristics (MOC is used to solve purely absorbing fixed-source problems. Recent efforts incorporating multigroup kernels to the MOC solvers in MPACT have reduced runtime by roughly 2×. Applying the same concepts for self-shielding and developing a novel lumped parameter approach to MOC, substantial improvements have also been made to the self-shielding computational efficiency without sacrificing any accuracy. These new multigroup and lumped parameter capabilities have been demonstrated on two test cases: (1 a single lattice with quarter symmetry known as VERA (Virtual Environment for Reactor Applications Progression Problem 2a and (2 a two-dimensional quarter-core slice known as Problem 5a-2D. From these cases, self-shielding computational time was reduced by roughly 3–4×, with a corresponding 15–20% increase in overall memory burden. An azimuthal angle sensitivity study also shows that only half as many angles are needed, yielding an additional speedup of 2×. In total, the improvements yield roughly a 7–8× speedup. Given these performance benefits, these approaches have been adopted as the default in MPACT.
International Nuclear Information System (INIS)
Petkov, Petko T.
2000-01-01
Most of the few-group three-dimensional nodal diffusion codes used for neutronics calculations of the WWER reactors use albedo type boundary conditions on the core-reflector boundary. The conventional albedo are group-to-group reflection probabilities, defined on each outer node face. The method of characteristics is used to calculate accurate albedo by the following procedure. A many-group two-dimensional heterogeneous core-reflector problem, including a sufficient part of the core and detailed description of the adjacent reflector, is solved first. From this solution the angular flux on the core-reflector boundary is calculated in all groups for all traced neutron directions. Accurate boundary conditions can be calculated for the radial, top and bottom reflectors as well as for the absorber part of the WWER-440 reactor control assemblies. The algorithm can be used to estimate also albedo, coupling outer node faces on the radial reflector in the axial direction. Numerical results for the WWER-440 reactor are presented. (Authors)
International Nuclear Information System (INIS)
Stimpson, Shane G.; Liu, Yuxuan; Collins, Benjamin S.; Clarno, Kevin T.
2017-01-01
An essential component of the neutron transport solver is the resonance self-shielding calculation used to determine equivalence cross sections. The neutron transport code, MPACT, is currently using the subgroup self-shielding method, in which the method of characteristics (MOC) is used to solve purely absorbing fixed-source problems. Recent efforts incorporating multigroup kernels to the MOC solvers in MPACT have reduced runtime by roughly 2×. Applying the same concepts for self-shielding and developing a novel lumped parameter approach to MOC, substantial improvements have also been made to the self-shielding computational efficiency without sacrificing any accuracy. These new multigroup and lumped parameter capabilities have been demonstrated on two test cases: (1) a single lattice with quarter symmetry known as VERA (Virtual Environment for Reactor Applications) Progression Problem 2a and (2) a two-dimensional quarter-core slice known as Problem 5a-2D. From these cases, self-shielding computational time was reduced by roughly 3–4×, with a corresponding 15–20% increase in overall memory burden. An azimuthal angle sensitivity study also shows that only half as many angles are needed, yielding an additional speedup of 2×. In total, the improvements yield roughly a 7–8× speedup. Furthermore given these performance benefits, these approaches have been adopted as the default in MPACT.
Smith, Alex J; Yao, Xiaoming; Dix, James A; Jin, Byung-Ju; Verkman, Alan S
2017-08-21
Transport of solutes through brain involves diffusion and convection. The importance of convective flow in the subarachnoid and paravascular spaces has long been recognized; a recently proposed 'glymphatic' clearance mechanism additionally suggests that aquaporin-4 (AQP4) water channels facilitate convective transport through brain parenchyma. Here, the major experimental underpinnings of the glymphatic mechanism were re-examined by measurements of solute movement in mouse brain following intracisternal or intraparenchymal solute injection. We found that: (i) transport of fluorescent dextrans in brain parenchyma depended on dextran size in a manner consistent with diffusive rather than convective transport; (ii) transport of dextrans in the parenchymal extracellular space, measured by 2-photon fluorescence recovery after photobleaching, was not affected just after cardiorespiratory arrest; and (iii) Aqp4 gene deletion did not impair transport of fluorescent solutes from sub-arachnoid space to brain in mice or rats. Our results do not support the proposed glymphatic mechanism of convective solute transport in brain parenchyma.
Zhang, Hua; Harter, Thomas; Sivakumar, Bellie
2006-06-01
Facies-based geostatistical models have become important tools for analyzing flow and mass transport processes in heterogeneous aquifers. Yet little is known about the relationship between these latter processes and the parameters of facies-based geostatistical models. In this study, we examine the transport of a nonpoint source solute normal (perpendicular) to the major bedding plane of an alluvial aquifer medium that contains multiple geologic facies, including interconnected, high-conductivity (coarse textured) facies. We also evaluate the dependence of the transport behavior on the parameters of the constitutive facies model. A facies-based Markov chain geostatistical model is used to quantify the spatial variability of the aquifer system's hydrostratigraphy. It is integrated with a groundwater flow model and a random walk particle transport model to estimate the solute traveltime probability density function (pdf) for solute flux from the water table to the bottom boundary (the production horizon) of the aquifer. The cases examined include two-, three-, and four-facies models, with mean length anisotropy ratios for horizontal to vertical facies, ek, from 25:1 to 300:1 and with a wide range of facies volume proportions (e.g., from 5 to 95% coarse-textured facies). Predictions of traveltime pdfs are found to be significantly affected by the number of hydrostratigraphic facies identified in the aquifer. Those predictions of traveltime pdfs also are affected by the proportions of coarse-textured sediments, the mean length of the facies (particularly the ratio of length to thickness of coarse materials), and, to a lesser degree, the juxtapositional preference among the hydrostratigraphic facies. In transport normal to the sedimentary bedding plane, traveltime is not lognormally distributed as is often assumed. Also, macrodispersive behavior (variance of the traveltime) is found not to be a unique function of the conductivity variance. For the parameter range
Cho, Kyu-Hyang; Do, Jun-Young; Park, Jong-Won; Yoon, Kyung-Woo; Kim, Yong-Lim
2013-01-01
Several studies have reported benefits for human peritoneal mesothelial cell function of a neutral-pH dialysate low in glucose degradation products (GDPs). However, the effects of low-GDP solution on ultrafiltration (UF), transport of solutes, and control of body water remain elusive. We therefore investigated the effect of low-GDP solution on UF, solute transport, and control of body water. Among 79 new continuous ambulatory peritoneal dialysis (CAPD) patients, 60 completed a 12-month protocol (28 in a lactate-based high-GDP solution group, 32 in a lactate-based low-GDP solution group). Clinical indices--including 24-hour UF volume (UFV), 24-hour urine volume (UV), residual renal function, and dialysis adequacy--were measured at months 1, 6, and 12. At months 1, 6, and 12, UFV, glucose absorption, 4-hour dialysate-to-plasma (D/P) creatinine, and 1-hour D/P Na(+) were assessed during a modified 4.25% peritoneal equilibration test (PET). Body composition by bioelectric impedance analysis was measured at months 1 and 12 in 26 CAPD patients. Daily UFV was lower in the low-GDP group. Despite similar solute transport and aquaporin function, the low-GDP group also showed lower UFV and higher glucose absorption during the PET. Factors associated with UFV during the PET were lactate-based high-GDP solution and 1-hour D/P Na(+). No differences in volume status and obesity at month 12 were observed, and improvements in hypervolemia were equal in both groups. Compared with the high-GDP group, the low-GDP group had a lower UFV during a PET and a lower daily UFV during the first year after peritoneal dialysis initiation. Although the low-GDP group had a lower daily UFV, no difficulties in controlling edema were encountered.
Leung, Juliana Y.; Srinivasan, Sanjay
2016-09-01
Modeling transport process at large scale requires proper scale-up of subsurface heterogeneity and an understanding of its interaction with the underlying transport mechanisms. A technique based on volume averaging is applied to quantitatively assess the scaling characteristics of effective mass transfer coefficient in heterogeneous reservoir models. The effective mass transfer coefficient represents the combined contribution from diffusion and dispersion to the transport of non-reactive solute particles within a fluid phase. Although treatment of transport problems with the volume averaging technique has been published in the past, application to geological systems exhibiting realistic spatial variability remains a challenge. Previously, the authors developed a new procedure where results from a fine-scale numerical flow simulation reflecting the full physics of the transport process albeit over a sub-volume of the reservoir are integrated with the volume averaging technique to provide effective description of transport properties. The procedure is extended such that spatial averaging is performed at the local-heterogeneity scale. In this paper, the transport of a passive (non-reactive) solute is simulated on multiple reservoir models exhibiting different patterns of heterogeneities, and the scaling behavior of effective mass transfer coefficient (Keff) is examined and compared. One such set of models exhibit power-law (fractal) characteristics, and the variability of dispersion and Keff with scale is in good agreement with analytical expressions described in the literature. This work offers an insight into the impacts of heterogeneity on the scaling of effective transport parameters. A key finding is that spatial heterogeneity models with similar univariate and bivariate statistics may exhibit different scaling characteristics because of the influence of higher order statistics. More mixing is observed in the channelized models with higher-order continuity. It
Reactive solute transport in streams: A surface complexation approach for trace metal sorption
Runkel, Robert L.; Kimball, Briant A.; McKnight, Diane M.; Bencala, Kenneth E.
1999-01-01
A model for trace metals that considers in-stream transport, metal oxide precipitation-dissolution, and pH-dependent sorption is presented. Linkage between a surface complexation submodel and the stream transport equations provides a framework for modeling sorption onto static and/or dynamic surfaces. A static surface (e.g., an iron- oxide-coated streambed) is defined as a surface with a temporally constant solid concentration. Limited contact between solutes in the water column and the static surface is considered using a pseudokinetic approach. A dynamic surface (e.g., freshly precipitated metal oxides) has a temporally variable solid concentration and is in equilibrium with the water column. Transport and deposition of solute mass sorbed to the dynamic surface is represented in the stream transport equations that include precipitate settling. The model is applied to a pH-modification experiment in an acid mine drainage stream. Dissolved copper concentrations were depressed for a 3 hour period in response to the experimentally elevated pH. After passage of the pH front, copper was desorbed, and dissolved concentrations returned to ambient levels. Copper sorption is modeled by considering sorption to aged hydrous ferric oxide (HFO) on the streambed (static surface) and freshly precipitated HFO in the water column (dynamic surface). Comparison of parameter estimates with reported values suggests that naturally formed iron oxides may be more effective in removing trace metals than synthetic oxides used in laboratory studies. The model's ability to simulate pH, metal oxide precipitation-dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between trace metal chemistry and hydrologic transport at the field scale.
Numerical Upscaling of Solute Transport in Fractured Porous Media Based on Flow Aligned Blocks
Leube, P.; Nowak, W.; Sanchez-Vila, X.
2013-12-01
High-contrast or fractured-porous media (FPM) pose one of the largest unresolved challenges for simulating large hydrogeological systems. The high contrast in advective transport between fast conduits and low-permeability rock matrix, including complex mass transfer processes, leads to the typical complex characteristics of early bulk arrivals and long tailings. Adequate direct representation of FPM requires enormous numerical resolutions. For large scales, e.g. the catchment scale, and when allowing for uncertainty in the fracture network architecture or in matrix properties, computational costs quickly reach an intractable level. In such cases, multi-scale simulation techniques have become useful tools. They allow decreasing the complexity of models by aggregating and transferring their parameters to coarser scales and so drastically reduce the computational costs. However, these advantages come at a loss of detail and accuracy. In this work, we develop and test a new multi-scale or upscaled modeling approach based on block upscaling. The novelty is that individual blocks are defined by and aligned with the local flow coordinates. We choose a multi-rate mass transfer (MRMT) model to represent the remaining sub-block non-Fickian behavior within these blocks on the coarse scale. To make the scale transition simple and to save computational costs, we capture sub-block features by temporal moments (TM) of block-wise particle arrival times to be matched with the MRMT model. By predicting spatial mass distributions of injected tracers in a synthetic test scenario, our coarse-scale solution matches reasonably well with the corresponding fine-scale reference solution. For predicting higher TM-orders (such as arrival time and effective dispersion), the prediction accuracy steadily decreases. This is compensated to some extent by the MRMT model. If the MRMT model becomes too complex, it loses its effect. We also found that prediction accuracy is sensitive to the choice of
Solute transport and the prediction of breakaway oxidation in gamma + beta Ni-Cr-Al alloys
Nesbitt, J. A.; Heckel, R. W.
1984-01-01
The Al transport and the condition leading to breakaway oxidation during the cyclic oxidation of gamma + beta NiCrAl alloys have been studied. The Al concentration/distance profiles were measured after various cyclic oxidation exposures at 1200 C. It was observed that cyclic oxidation results in a decreasing Al concentration at the oxide/metal interface, maintaining a constant flux of Al to the Al2O3 scale. It was also observed that breakaway oxidation occurs when the Al concentration at the oxide/metal interface approaches zero. A numerical model was developed to simulate the diffusional transport of Al and to predict breakaway oxidation in gamma + beta NiCrAl alloys undergoing cyclic oxidation. In a comparison of two alloys with similar oxide spalling characteristics, the numerical model was shown to predict correctly the onset of breakaway oxidation in the higher Al-content alloy.
Sediment and solute transport in a mountainous watershed in Valle del Cauca, Colombia
Guzman, Christian; Hoyos Villada, Fanny; Morales Vargas, Amalia; Rivera, Baudelino; Da Silva, Mayesse; Moreno Padilla, Pedro; Steenhuis, Tammo
2015-04-01
Sediment samples and solute concentrations were measured from the La Vega micro watershed in the southwestern region of the Colombian Andes. A main goal of this study was to improve prediction of soil surface and soil nutrient changes, based on field measurements, within small basin of the Aguaclara watershed network receiving different types of conservation measures. Two modeling approaches for stream discharge and sediment transport predictions were used with one of these based on infiltration-excess and the other on saturation-excess runoff. These streams are a part of a recent initiative from a water fund established by Asobolo, Asocaña, and Cenicaña in collaboration with the Natural Capital Project to improve conservation efforts and monitor their effects. On-site soil depth changes, groundwater depth measurements, and soil nutrient concentrations were also monitored to provide more information about changes within this mountainous watershed during one part of the yearly rainy season. This information is being coupled closely with the outlet sediment concentration and solute concentration patterns to discern correlations between scales. Lateral transects in the upper, middle, and lower part of the hillsides in the La Vega micro watershed showed differences in soil nutrient status and soil surface depth changes. The model based on saturation-excess, semi-distributed hydrology was able to reproduce discharge and sediment transport rates as well as the initially used infiltration excess model indicating available options for comparison of conservation changes in the future.
Reduced-Order Direct Numerical Simulation of Solute Transport in Porous Media
Mehmani, Yashar; Tchelepi, Hamdi
2017-11-01
Pore-scale models are an important tool for analyzing fluid dynamics in porous materials (e.g., rocks, soils, fuel cells). Current direct numerical simulation (DNS) techniques, while very accurate, are computationally prohibitive for sample sizes that are statistically representative of the porous structure. Reduced-order approaches such as pore-network models (PNM) aim to approximate the pore-space geometry and physics to remedy this problem. Predictions from current techniques, however, have not always been successful. This work focuses on single-phase transport of a passive solute under advection-dominated regimes and delineates the minimum set of approximations that consistently produce accurate PNM predictions. Novel network extraction (discretization) and particle simulation techniques are developed and compared to high-fidelity DNS simulations for a wide range of micromodel heterogeneities and a single sphere pack. Moreover, common modeling assumptions in the literature are analyzed and shown that they can lead to first-order errors under advection-dominated regimes. This work has implications for optimizing material design and operations in manufactured (electrodes) and natural (rocks) porous media pertaining to energy systems. This work was supported by the Stanford University Petroleum Research Institute for Reservoir Simulation (SUPRI-B).
Coupled processes of fluid flow, solute transport, and geochemical reactions in reactive barriers
Energy Technology Data Exchange (ETDEWEB)
Kim, Jeongkon; Schwartz, Franklin W.; Xu, Tianfu; Choi, Heechul, and Kim, In S.
2004-01-02
A complex pattern of coupling between fluid flow and mass transport develops when heterogeneous reactions occur. For instance, dissolution and precipitation reactions can change a porous medium's physical properties, such as pore geometry and thus permeability. These changes influence fluid flow, which in turn impacts the composition of dissolved constituents and the solid phases, and the rate and direction of advective transport. Two-dimensional modeling studies using TOUGHREACT were conducted to investigate the coupling between flow and transport developed as a consequence of differences in density, dissolution precipitation, and medium heterogeneity. The model includes equilibrium reactions for aqueous species, kinetic reactions between the solid phases and aqueous constituents, and full coupling of porosity and permeability changes resulting from precipitation and dissolution reactions in porous media. In addition, a new permeability relationship is implemented in TOUGHREACT to examine the effects of geochemical reactions and density difference on plume migration in porous media. Generally, the evolutions in the concentrations of the aqueous phase are intimately related to the reaction-front dynamics. Plugging of the medium contributed to significant transients in patterns of flow and mass transport.
The influence of mass transfer on solute transport in column experiments with an aggregated soil
Roberts, Paul V.; Goltz, Mark N.; Summers, R. Scott; Crittenden, John C.; Nkedi-Kizza, Peter
1987-06-01
The spreading of concentration fronts in dynamic column experiments conducted with a porous, aggregated soil is analyzed by means of a previously documented transport model (DFPSDM) that accounts for longitudinal dispersion, external mass transfer in the boundary layer surrounding the aggregate particles, and diffusion in the intra-aggregate pores. The data are drawn from a previous report on the transport of tritiated water, chloride, and calcium ion in a column filled with Ione soil having an average aggregate particle diameter of 0.34 cm, at pore water velocities from 3 to 143 cm/h. The parameters for dispersion, external mass transfer, and internal diffusion were predicted for the experimental conditions by means of generalized correlations, independent of the column data. The predicted degree of solute front-spreading agreed well with the experimental observations. Consistent with the aggregate porosity of 45%, the tortuosity factor for internal pore diffusion was approximately equal to 2. Quantitative criteria for the spreading influence of the three mechanisms are evaluated with respect to the column data. Hydrodynamic dispersion is thought to have governed the front shape in the experiments at low velocity, and internal pore diffusion is believed to have dominated at high velocity; the external mass transfer resistance played a minor role under all conditions. A transport model such as DFPSDM is useful for interpreting column data with regard to the mechanisms controlling concentration front dynamics, but care must be exercised to avoid confounding the effects of the relevant processes.
Flow and solute transport in backfilled tunnel and collapsed backfill - possible extension of Comp32
International Nuclear Information System (INIS)
Neretnieks, Ivars
2006-09-01
In the Swedish deep geological final repository for spent fuel the tunnels will be filled with a backfill with low permeability. However, some flow may take place in the backfill. Nuclides released from a leaking canister could diffuse up to the flowing water in the backfill and be transported downstream in the tunnel. At an intersection of the tunnel with a fracture zone the contaminated water might flow out into the zone.This report addresses the transport mechanisms and rate of transport from a leaking canister up through the buffer and backfill in the deposition hole, further into the backfill in the tunnel and the transport along the tunnel. Spreading by diffusion in the buffer and backfill as well as retardation of sorbing nuclides is accounted for.The transport mechanisms and rates of transport are described and some simple models with analytical solutions are used to quantify the processes. These simple solutions are used to gain insights into when different transport mechanisms are important. The simple solutions are used to simulate a base case example where a non-sorbing nuclide (iodide) and a sorbing nuclide (radium) move in the backfill by diffusion and by advective flow. The simple sample calculations show that it would take thousands of years for iodide to move 20 m along the tunnel and that a release pulse would spread out considerably over time. The sorbing nuclide 226 Ra with a half life of 1,600 years would be strongly retarded by sorption and would decay to insignificance during its migration along the tunnel. The consequences of a collapse of backfill leaving a channel above the backfill is also studied by a simple analytical model that accounts for water flowing in the collapsed part of the backfill at the ceiling of the tunnel. A nuclide that diffuses up to the flowing channel will flow with the ('rapidly' flowing) water but will be retarded by diffusion down into the backfill again. This down diffusion retards the nuclide migration
Flow and solute transport in backfilled tunnel and collapsed backfill - possible extension of Comp32
Energy Technology Data Exchange (ETDEWEB)
Neretnieks, Ivars [Royal Inst. of Technology, Stockholm (Sweden). Dept. of Chemical Engineering and Technology
2006-09-15
In the Swedish deep geological final repository for spent fuel the tunnels will be filled with a backfill with low permeability. However, some flow may take place in the backfill. Nuclides released from a leaking canister could diffuse up to the flowing water in the backfill and be transported downstream in the tunnel. At an intersection of the tunnel with a fracture zone the contaminated water might flow out into the zone.This report addresses the transport mechanisms and rate of transport from a leaking canister up through the buffer and backfill in the deposition hole, further into the backfill in the tunnel and the transport along the tunnel. Spreading by diffusion in the buffer and backfill as well as retardation of sorbing nuclides is accounted for.The transport mechanisms and rates of transport are described and some simple models with analytical solutions are used to quantify the processes. These simple solutions are used to gain insights into when different transport mechanisms are important. The simple solutions are used to simulate a base case example where a non-sorbing nuclide (iodide) and a sorbing nuclide (radium) move in the backfill by diffusion and by advective flow. The simple sample calculations show that it would take thousands of years for iodide to move 20 m along the tunnel and that a release pulse would spread out considerably over time. The sorbing nuclide {sup 226}Ra with a half life of 1,600 years would be strongly retarded by sorption and would decay to insignificance during its migration along the tunnel. The consequences of a collapse of backfill leaving a channel above the backfill is also studied by a simple analytical model that accounts for water flowing in the collapsed part of the backfill at the ceiling of the tunnel. A nuclide that diffuses up to the flowing channel will flow with the ('rapidly' flowing) water but will be retarded by diffusion down into the backfill again. This down diffusion retards the nuclide
International Nuclear Information System (INIS)
Hursin, Mathieu; Xiao Shanjie; Jevremovic, Tatjana
2006-01-01
This paper summarizes the theoretical and numerical aspects of the AGENT code methodology accurately applied for detailed three-dimensional (3D) multigroup steady-state modeling of neutron interactions in complex heterogeneous reactor domains. For the first time we show the fine-mesh neutron scalar flux distribution in Purdue research reactor (that was built over forty years ago). The AGENT methodology is based on the unique combination of the three theories: the method of characteristics (MOC) used to simulate the neutron transport in two-dimensional (2D) whole core heterogeneous calculation, the theory of R-functions used as a mathematical tool to describe the true geometry and fuse with the MOC equations, and one-dimensional (1D) higher-order diffusion correction of 2D transport model to account for full 3D heterogeneous whole core representation. The synergism between the radial 2D transport and the 1D axial transport (to take into account the axial neutron interactions and leakage), called the 2D/1D method (used in DeCART and CHAPLET codes), provides a 3D computational solution. The unique synergism between the AGENT geometrical algorithm capable of modeling any current or future reactor core geometry and 3D neutron transport methodology is described in details. The 3D AGENT accuracy and its efficiency are demonstrated showing the eigenvalues, point-wise flux and reaction rate distributions in representative reactor geometries. The AGENT code, comprising this synergism, represents a building block of the computational system, called the virtual reactor. Its main purpose is to perform 'virtual' experiments and demonstrations of various mainly university research reactor experiments
Effects of sorption and temperature on solute transport in unsaturated steady flow
International Nuclear Information System (INIS)
Fuentes, H.R.; Polzer, W.L.; Essington, E.H.
1986-01-01
It is known that temperature affects physical and chemical processes and that these processes may alter the transport of solutes in the environment. Laboratory column studies were performed in unsaturated flow conditions with a composite pulse containing iodide, cobalt, cesium and strontium each at 10 -3 M. The experiments were performed with Bandelier Tuff and produced breakthrough curves that indicate significant changes in transport due to a temperature change from 25 0 C to 5 0 C for nonconservative solutes. Also, the interpretation of the temperature and sorption data suggest that the differences in transport between 5 0 C and 25 0 C for nonconservative solutes may be predicted in a qualitative manner from batch equilibrium and nonequilibrium sorption data and the theory of sorption used in deriving the modified Freundlich isotherm equation. These effects should be of concern in modeling and management of spills and waste disposal within this range of environmental temperatures
Fluid Creep Effects on Near-Wall Solute Transport for Non-Isothermal Ampoules
Papadopoulos, Dimitrios; Rosner, Daniel E.
1996-01-01
There is a growing practical and theoretical interest in developing accurate macroscopic modelling for flows arising in chemical or physical vapor transport (VT) crystal growth experiments, including those conducted in reduced gravity environments. Rosner was the first person to point out that previously neglected rarefield gas dynamics phenomena (Stefan and bouyancy-driven flows) become rather important sources of convection. In particular, the combination of rarefaction and strong gradients of temperature (and/or concentration) tangential to the side-walls of the ampoule induces convective flows known as thermal (and concentration) 'creep' respectively. His order-of-magnitude estimates revealed that thermal creep effects can be non-negligible even at normal gravitational levels. On the macroscopic level, the bulk fluid mechanics can be adequately described by the familiar macroscopic equations as long as the boundary conditions are modified to account for the integrated effect of kinetic boundary layers adjacent to solid boundaries. Motivated by the growing importance of these phenomena, we have embarked on a series of computational studies to elucidate these fundamental creep-induced effects for a rarefied gas in simple, two-dimensional confined geometries. However, unlike previous related studies, we resort to a microscopic description of the gas, mathematically expressed by the Boltzmann integro-differential equation. We employ the direct simulation Monte Carlo (DSMC) method of Bird, the theoretical foundations and several practical applications. In the case of thermally induced flows, the no-time counter method of Bird is used, as implemented for a hard-sphere gas. The scheme has been also extended to account for realistic molecular interaction models, an extension necessary if the diffusion physics underlying concentration creep are to be captured.
Representing solute transport through the multi-barrier disposal system by simplified concepts
International Nuclear Information System (INIS)
Poteri, A.; Nordman, H.; Pulkkanen, V-M.; Kekaelaeinen, P.; Hautojaervi, A.
2012-02-01
The repository system chosen in Finland for spent nuclear fuel is composed of multiple successive transport barriers. If a waste canister is leaking, this multi-barrier system retards and limits the release rates of radionuclides into the biosphere. Analysis of radionuclide migration in the previous performance assessments has largely been based on numerical modelling of the repository system. The simplified analytical approach introduced here provides a tool to analyse the performance of the whole system using simplified representations of the individual transport barriers. This approach is based on the main characteristics of the individual barriers and on the generic nature of the coupling between successive barriers. In the case of underground repository the mass transfer between successive transport barriers is strongly restricted by the interfaces between barriers leading to well-mixed conditions in these barriers. The approach here simplifies the barrier system so that it can be described with a very simple compartment model, where each barrier is represented by a single, or in the case of buffer, by not more than two compartments. This system of compartments could be solved in analogy with a radioactive decay chain. The model of well mixed compartments lends itself to a very descriptive way to represent and analyse the barrier system because the relative efficiency of the different barriers in hindering transport of solutes can be parameterised by the solutes half-times in the corresponding compartments. In a real repository system there will also be a delay between the start of the inflow and the start of the outflow from the barrier. This delay can be important for the release rates of the short lived and sorbing radionuclides, and it was also included in the simplified representation of the barrier system. In a geological multi-barrier system, spreading of the outflowing release pulse is often governed by the typical behaviour of one transport barrier
Representing solute transport through the multi-barrier disposal system by simplified concepts
Energy Technology Data Exchange (ETDEWEB)
Poteri, A.; Nordman, H.; Pulkkanen, V-M. [VTT Technical Research Centre of Finland, Espoo (Finland); Kekaelaeinen, P. [Jyvaeskylae Univ. (Finland). Dept. pf Physics; Hautojaervi, A.
2012-02-15
The repository system chosen in Finland for spent nuclear fuel is composed of multiple successive transport barriers. If a waste canister is leaking, this multi-barrier system retards and limits the release rates of radionuclides into the biosphere. Analysis of radionuclide migration in the previous performance assessments has largely been based on numerical modelling of the repository system. The simplified analytical approach introduced here provides a tool to analyse the performance of the whole system using simplified representations of the individual transport barriers. This approach is based on the main characteristics of the individual barriers and on the generic nature of the coupling between successive barriers. In the case of underground repository the mass transfer between successive transport barriers is strongly restricted by the interfaces between barriers leading to well-mixed conditions in these barriers. The approach here simplifies the barrier system so that it can be described with a very simple compartment model, where each barrier is represented by a single, or in the case of buffer, by not more than two compartments. This system of compartments could be solved in analogy with a radioactive decay chain. The model of well mixed compartments lends itself to a very descriptive way to represent and analyse the barrier system because the relative efficiency of the different barriers in hindering transport of solutes can be parameterised by the solutes half-times in the corresponding compartments. In a real repository system there will also be a delay between the start of the inflow and the start of the outflow from the barrier. This delay can be important for the release rates of the short lived and sorbing radionuclides, and it was also included in the simplified representation of the barrier system. In a geological multi-barrier system, spreading of the outflowing release pulse is often governed by the typical behaviour of one transport barrier
Intragranular diffusion--An important mechanism influencing solute transport in clastic aquifers?
Vroblesky, Don A.; Yanosky, Thomas M.
1990-01-01
The annual growth rings of tulip trees (Liriodendron tulipifera L.) appear to preserve a chemical record of ground-water contamination at a landfill in Maryland. Zones of elevated iron and chlorine concentrations in growth rings from trees immediately downgradient from the landfill are closely correlated temporally with activities in the landfill expected to generate iron and chloride contamination in the ground water. Successively later iron peaks in trees increasingly distant from the landfill along the general direction of ground-water flow imply movement of iron-contaminated ground water away from the landfill. The historical velocity of iron movement (2 to 9 m/yr) and chloride movement (at least 40 m/yr) in ground water at the site was estimated from element-concentration trends of trees at successive distances from the landfill. The tree-ring-derived chloride-transport velocity approximates the known ground-water velocity (30 to 80 m/yr). A minimum horizontal hydraulic conductivity (0.01 to .02 cm/s) calculated from chloride velocity agrees well with values derived from aquifer tests (about 0.07 cm/s) and from ground-water modeling results (0.009 to 0.04 cm/s).
Simmons, Craig; Narayan, Kumar; Woods, Juliette; Herczeg, Andrew
2002-03-01
Saline groundwater and drainage effluent from irrigation are commonly stored in some 200 natural and artificial saline-water disposal basins throughout the Murray-Darling Basin of Australia. Their impact on underlying aquifers and the River Murray, one of Australia's major water supplies, is of serious concern. In one such scheme, saline groundwater is pumped into Lake Mourquong, a natural groundwater discharge complex. The disposal basin is hydrodynamically restricted by low-permeability lacustrine clays, but there are vulnerable areas in the southeast where the clay is apparently missing. The extent of vertical and lateral leakage of basin brines and the processes controlling their migration are examined using (1) analyses of chloride and stable isotopes of water (2H/1H and 18O/16O) to infer mixing between regional groundwater and lake water, and (2) the variable-density groundwater flow and solute-transport code SUTRA. Hydrochemical results indicate that evaporated disposal water has moved at least 100 m in an easterly direction and that there is negligible movement of brines in a southerly direction towards the River Murray. The model is used to consider various management scenarios. Salt-load movement to the River Murray was highest in a "worst-case" scenario with irrigation employed between the basin and the River Murray. Present-day operating conditions lead to little, if any, direct movement of brine from the basin into the river. Résumé. Les eaux souterraines salées et les effluents de drainage de l'irrigation sont stockés dans environ 200 bassins naturels ou artificiels destinés à retenir les eaux salines dans tout le bassin de Murray-Darling, en Australie. Leur impact sur les aquifères sous-jacents et sur la rivière Murray, l'une des principales ressources en eau d'Australie, constitue un problème grave. Dans une telle situation, les eaux souterraines salines sont pompées dans le lac Mourquong, complexe dans lequel les nappes se d
Requirements for Ion and Solute Transport, and pH Regulation During Enamel Maturation
LACRUZ, RODRIGO S.; SMITH, CHARLES E.; MOFFATT, PIERRE; CHANG, EUGENE H.; BROMAGE, TIMOTHY G.; BRINGAS, PABLO; NANCI, ANTONIO; BANIWAL, SANJEEV K.; ZABNER, JOSEPH; WELSH, MICHAEL J.; KURTZ, IRA; PAINE, MICHAEL L.
2012-01-01
Transcellular bicarbonate transport is suspected to be an important pathway used by ameloblasts to regulate extracellular pH and support crystal growth during enamel maturation. Proteins that play a role in amelogenesis include members of the ABC transporters (SLC gene family and CFTR). A number of carbonic anhydrases (CAs) have also been identified. The defined functions of these genes are likely interlinked during enamel mineralization. The purpose of this study is to quantify relative mRNA levels of individual SLC, Cftr, and CAs in enamel cells obtained from secretory and maturation stages on rat incisors. We also present novel data on the enamel phenotypes for two animal models, amutant porcine(CFTR-ΔF508) and the NBCe1-null mouse.Our data show that two SLCs(AE2 and NBCe1),Cftr,and Car2, Car3,Car6,and Car12 are all significantly up-regulated at the onset of the maturation stage of amelogenesis when compared to the secretory stage. The remaining SLCs and CA gene transcripts showed negligible expression or no significant change in expression from secretory to maturation stages. The enamel of Cftr-ΔF508 adult pigs was hypomineralized and showed abnormal crystal growth. NBCe1-null mice enamel was structurally defective and had a marked decrease in mineral content relative to wild-type. These data demonstrate the importance of many non-matrix proteins to amelogenesis and that the expression levels of multiple genes regulating extracellular pH are modulated during enamel maturation in response to an increased need for pH buffering during hydroxyapatite crystal growth. PMID:21732355
Imaging and quantifying solute transport across periosteum: implications for muscle-bone crosstalk.
Lai, Xiaohan; Price, Christopher; Lu, Xin Lucas; Wang, Liyun
2014-09-01
Muscle and bone are known to act as a functional unit and communicate biochemically during tissue development and maintenance. Muscle-derived factors (myokines) have been found to affect bone functions in vitro. However, the transport times of myokines to penetrate into bone, a critical step required for local muscle-bone crosstalk, have not been quantified in situ or in vivo. In this study, we investigated the permeability of the periosteum, a major barrier to muscle-bone crosstalk by tracking and modeling fluorescent tracers that mimic myokines under confocal microscopy. Periosteal surface boundaries and tracer penetration within the boundaries were imaged in intact murine tibiae using reflected light and time-series xz confocal imaging, respectively. Four fluorescent tracers including sodium fluorescein (376Da) and dextrans (3kDa, 10kDa and 40kDa) were chosen because they represented a wide range of molecular weights (MW) of myokines. We found that i) murine periosteum was permeable to the three smaller tracers while the 40kDa could not penetrate beyond 40% of the outer periosteum within 8h, suggesting that periosteum is semi-permeable with a cut-off MW of approximately 40kDa, and ii) the characteristic penetration time through the periosteum (~60μm thick) increased with tracer MW and fit well with a relationship tcs=-4.43×10(4)-0.57×MWDa-4×10(4)-8.65×10(8)MWDa-4×10(4), from which, the characteristic penetration times of various myokines were extrapolated. To achieve effective muscle-bone crosstalk, likely signaling candidates should have shorter penetration time than their bioactive time, which we assumed to be 5 times of the molecule's half-lifetime in the body. Myokines such as PGE2, IGF-1, IL-15 and FGF-2 were predicted to satisfy this requirement. In summary, a novel imaging approach was developed and used to investigate the transport of myokine mimicking-tracers through the periosteum, enabling further quantitative studies of muscle
Rasiah, Velu; Armour, John David
2013-02-15
Reliable information in transit time (TT) derived from transit velocity (TV) for rain or irrigation water to mix with groundwater (GW) and the subsequent discharge to surface water bodies (SWB) is essential to address the issues associated with the transport of nutrients, particularly nitrate, from GW to SWB. The objectives of this study are to (i) compare the TV estimates obtained using flux theory-based (FT) approach with the water table rise/recession (WT) rate approach and (ii) explore the impact of the differences on solute transport from GW to SWB. The results from a study conducted during two rainy seasons in the northeast humid tropics of Queensland, Australia, showed the TV varied in space and over time and the variations depended on the estimation procedures. The lateral TV computed using the WT approach ranged from 1.00 × 10(-3) to 2.82 × 10(-1) m/d with a mean of 6.18 × 10(-2) m/d compared with 2.90 × 10(-4) to 5.15 × 10(-2) m/d for FT with a mean of 2.63 × 10(-2) m/d. The vertical TV ranged from 2.00 × 10(-3) to 6.02 × 10(-1) m/d with a mean of 1.28 × 10(-1) m/d for the WT compared with 6.76 × 10(-3)-1.78 m/d for the FT with a mean of 2.73 × 10(-1) m/d. These differences are attributed to the role played by different flow pathways. The bypass flow pathway played a role only in WT but not in FT. Approximately 86-95% of the variability in lateral solute transport was accounted for by the lateral TV and the total recession between two consecutive major rainfall events. A comparison of TT from FT and WT approaches indicated the laterally transported nitrate from the GW to the nearby creek was relatively 'new', implying the opportunity for accumulation and to undergo biochemical reactions in GW was low. The results indicated the WT approach produced more reliable TT estimates than FT in the presence of bypass flow pathways. Copyright © 2012 Elsevier Ltd. All rights reserved.
Steinberg, Susan L. (Editor); Ming, Doug W. (Editor); Henninger, Don (Editor)
2002-01-01
This NASA Technical Memorandum is a compilation of presentations and discussions in the form of minutes from a workshop entitled 'Plant Production Systems for Microgravity: Critical Issues in Water, Air, and Solute Transport Through Unsaturated Porous Media' held at NASA's Johnson Space Center, July 24-25, 2000. This workshop arose from the growing belief within NASA's Advanced Life Support Program that further advances and improvements in plant production systems for microgravity would benefit from additional knowledge of fundamental processes occurring in the root zone. The objective of the workshop was to bring together individuals who had expertise in various areas of fluid physics, soil physics, plant physiology, hardware development, and flight tests to identify, discuss, and prioritize critical issues of water and air flow through porous media in microgravity. Participants of the workshop included representatives from private companies involved in flight hardware development and scientists from universities and NASA Centers with expertise in plant flight tests, plant physiology, fluid physics, and soil physics.
Umari, A.M.; Gorelick, S.M.
1986-01-01
It is possible to obtain analytic solutions to the groundwater flow and solute transport equations if space variables are discretized but time is left continuous. From these solutions, hydraulic head and concentration fields for any future time can be obtained without ' marching ' through intermediate time steps. This analytical approach involves matrix exponentiation and is referred to as the Matrix Exponential Time Advancement (META) method. Two algorithms are presented for the META method, one for symmetric and the other for non-symmetric exponent matrices. A numerical accuracy indicator, referred to as the matrix condition number, was defined and used to determine the maximum number of significant figures that may be lost in the META method computations. The relative computational and storage requirements of the META method with respect to the time marching method increase with the number of nodes in the discretized problem. The potential greater accuracy of the META method and the associated greater reliability through use of the matrix condition number have to be weighed against this increased relative computational and storage requirements of this approach as the number of nodes becomes large. For a particular number of nodes, the META method may be computationally more efficient than the time-marching method, depending on the size of time steps used in the latter. A numerical example illustrates application of the META method to a sample ground-water-flow problem. (Author 's abstract)
Liu, Gaisheng; Lu, Zhiming; Zhang, Dongxiao
2007-01-01
A new approach has been developed for solving solute transport problems in randomly heterogeneous media using the Karhunen‐Loève‐based moment equation (KLME) technique proposed by Zhang and Lu (2004). The KLME approach combines the Karhunen‐Loève decomposition of the underlying random conductivity field and the perturbative and polynomial expansions of dependent variables including the hydraulic head, flow velocity, dispersion coefficient, and solute concentration. The equations obtained in this approach are sequential, and their structure is formulated in the same form as the original governing equations such that any existing simulator, such as Modular Three‐Dimensional Multispecies Transport Model for Simulation of Advection, Dispersion, and Chemical Reactions of Contaminants in Groundwater Systems (MT3DMS), can be directly applied as the solver. Through a series of two‐dimensional examples, the validity of the KLME approach is evaluated against the classical Monte Carlo simulations. Results indicate that under the flow and transport conditions examined in this work, the KLME approach provides an accurate representation of the mean concentration. For the concentration variance, the accuracy of the KLME approach is good when the conductivity variance is 0.5. As the conductivity variance increases up to 1.0, the mismatch on the concentration variance becomes large, although the mean concentration can still be accurately reproduced by the KLME approach. Our results also indicate that when the conductivity variance is relatively large, neglecting the effects of the cross terms between velocity fluctuations and local dispersivities, as done in some previous studies, can produce noticeable errors, and a rigorous treatment of the dispersion terms becomes more appropriate.
Energy Technology Data Exchange (ETDEWEB)
Jacques, D.; Simunek, J.
2010-01-15
HP1 is a comprehensive modeling tool in terms of processes and reactions for simulating reactive transport and biogeochemical processes in variably-saturated porous media. HP1 results from coupling the water and solute transport model HYDRUS-1D (Simunek et al., 2009a) and PHREEQC-2 (Parkhurst and Appelo, 1999). This note provides an overview of how to set up and execute a HP1 project using version 2.2.002 of HP1 and version 4.13 of the graphical user interface (GUI) of HYDRUS-1D. A large part of this note are step-by-step instructions for selected examples involving mineral dissolution and precipitation, cation exchange, surface complexation and kinetic degradation networks. The implementation of variably-saturated flow conditions, changing boundary conditions, a layered soil profile or immobile water is also illustrated.
International Nuclear Information System (INIS)
Jacques, D.; Simunek, J.
2010-01-01
HP1 is a comprehensive modeling tool in terms of processes and reactions for simulating reactive transport and biogeochemical processes in variably-saturated porous media. HP1 results from coupling the water and solute transport model HYDRUS-1D (Simunek et al., 2009a) and PHREEQC-2 (Parkhurst and Appelo, 1999). This note provides an overview of how to set up and execute a HP1 project using version 2.2.002 of HP1 and version 4.13 of the graphical user interface (GUI) of HYDRUS-1D. A large part of this note are step-by-step instructions for selected examples involving mineral dissolution and precipitation, cation exchange, surface complexation and kinetic degradation networks. The implementation of variably-saturated flow conditions, changing boundary conditions, a layered soil profile or immobile water is also illustrated.
Glaser, Paul H.; Siegel, Donald I.; Chanton, Jeffrey P.; Reeve, Andrew S.; Rosenberry, Donald O.; Corbett, J. Elizabeth; Dasgupta, Soumitri; Levy, Zeno
2016-01-01
Northern peatlands are an important source for greenhouse gases, but their capacity to produce methane remains uncertain under changing climatic conditions. We therefore analyzed a 43 year time series of the pore-water chemistry to determine if long-term shifts in precipitation altered the vertical transport of solutes within a large peat basin in northern Minnesota. These data suggest that rates of methane production can be finely tuned to multidecadal shifts in precipitation that drive the vertical penetration of labile carbon substrates within the Glacial Lake Agassiz Peatlands. Tritium and cation profiles demonstrate that only the upper meter of these peat deposits was flushed by downwardly moving recharge from 1965 to 1983 during a Transitional Dry-to-Moist Period. However, a shift to a moister climate after 1984 drove surface waters much deeper, largely flushing the pore waters of all bogs and fens to depths of 2 m. Labile carbon compounds were transported downward from the rhizosphere to the basal peat at this time producing a substantial enrichment of methane in Δ14C with respect to the solid-phase peat from 1991 to 2008. These data indicate that labile carbon substrates can fuel deep production zones of methanogenesis that more than doubled in thickness across this large peat basin after 1984. Moreover, the entire peat profile apparently has the capacity to produce methane from labile carbon substrates depending on climate-driven modes of solute transport. Future changes in precipitation may therefore play a central role in determining the source strength of peatlands in the global methane cycle.
Glaser, Paul H.; Siegel, Donald I.; Chanton, Jeffrey P.; Reeve, Andrew S.; Rosenberry, Donald O.; Corbett, J. Elizabeth; Dasgupta, Soumitri; Levy, Zeno
2016-01-01
Northern peatlands are an important source for greenhouse gases but their capacity to produce methane remains uncertain under changing climatic conditions. We therefore analyzed a 43-year time series of pore-water chemistry to determine if long-term shifts in precipitation altered the vertical transport of solutes within a large peat basin in northern Minnesota. These data suggest that rates of methane production can be finely tuned to multi-decadal shifts in precipitation that drive the vertical penetration of labile carbon substrates within the Glacial Lake Agassiz Peatlands. Tritium and cation profiles demonstrate that only the upper meter of these peat deposits was flushed by downwardly moving recharge from 1965 through 1983 during a Transitional Dry-to-Moist Period. However, a shift to a moister climate after 1984 drove surface waters much deeper, largely flushing the pore waters of all bogs and fens to depths of 2 m. Labile carbon compounds were transported downward from the rhizosphere to the basal peat at this time producing a substantial enrichment of methane in Delta C-14 with respect to the solid-phase peat from 1991 to 2008. These data indicate that labile carbon substrates can fuel deep production zones of methanogenesis that more than doubled in thickness across this large peat basin after 1984. Moreover, the entire peat profile apparently has the capacity to produce methane from labile carbon substrates depending on climate-driven modes of solute transport. Future changes in precipitation may therefore play a central role in determining the source strength of peatlands in the global methane cycle.
International Nuclear Information System (INIS)
Hoven, Stephen J. van der; Kip Solomon, D.; Moline, Gerilynn R.
2005-01-01
Natural tracers (major ions, δ 18 O, and O 2 ) were monitored to evaluate groundwater flow and transport to a depth of 20 m below the surface in fractured sedimentary (primarily shale and limestone) rocks. Large temporal variations in these tracers were noted in the soil zone and the saprolite, and are driven primarily by individual storm events. During nonstorm periods, an upward flow brings water with high TDS, constant δ 18 O, and low dissolved O 2 to the water table. During storm events, low TDS, variable δ 18 O, and high dissolved O 2 water recharges through the unsaturated zone. These oscillating signals are rapidly transmitted along fracture pathways in the saprolite, with changes occurring on spatial scales of several meters and on a time scale of hours. The variations decreased markedly below the boundary between the saprolite and less weathered bedrock. Variations in the bedrock units occurred on time scales of days and spatial scales of at least 20 m. The oscillations of chemical conditions in the shallow groundwater are hypothesized to have significant implications for solute transport. Solutes and colloids that adsorb onto aquifer solids can be released into solution by decreases in ionic strength and pH. The decreases in ionic strength also cause thermodynamic undersaturation of the groundwater with respect to some mineral species and may result in mineral dissolution. Redox conditions are also changing and may result in mineral dissolution/precipitation. The net result of these chemical variations is episodic transport of a wide range of dissolved solutes or suspended particles, a phenomenon rarely considered in contaminant transport studies
Bitzer, Klaus
1999-05-01
Geological processes that create sedimentary basins or act during their formation can be simulated using the public domain computer code `BASIN'. For a given set of geological initial and boundary conditions the sedimentary basin evolution is calculated in a forward modeling approach. The basin is represented in a two-dimensional vertical cross section with individual layers. The stratigraphic, tectonic, hydrodynamic and thermal evolution is calculated beginning at an initial state, and subsequent changes of basin geometry are calculated from sedimentation rates, compaction and pore fluid mobilization, isostatic compensation, fault movement and subsidence. The sedimentologic, hydraulic and thermal parameters are stored at discrete time steps allowing the temporal evolution of the basin to be analyzed. A maximum flexibility in terms of geological conditions is achieved by using individual program modules representing geological processes which can be switched on and off depending on the data available for a specific simulation experiment. The code incorporates a module for clastic and carbonate sedimentation, taking into account the impact of clastic sediment supply on carbonate production. A maximum of four different sediment types, which may be mixed during sedimentation, can be defined. Compaction and fluid flow are coupled through the consolidation equation and the nonlinear form of the equation of state for porosity, allowing nonequilibrium compaction and overpressuring to be calculated. Instead of empirical porosity-effective stress equations, a physically consistent consolidation model is applied which incorporates a porosity dependent sediment compressibility. Transient solute transport and heat flow are calculated as well, applying calculated fluid flow rates from the hydraulic model. As a measure for hydrocarbon generation, the Time-Temperature Index (TTI) is calculated. Three postprocessing programs are available to provide graphic output in Post
Schein, Jessica R; Hunt, Kevin A; Minton, Janet A; Schultes, Neil P; Mourad, George S
2013-09-01
The single cell alga Chlamydomonas reinhardtii is capable of importing purines as nitrogen sources. An analysis of the annotated C. reinhardtii genome reveals at least three distinct gene families encoding for known nucleobase transporters. In this study the solute transport and binding properties for the lone C. reinhardtii nucleobase cation symporter 1 (CrNCS1) are determined through heterologous expression in Saccharomyces cerevisiae. CrNCS1 acts as a transporter of adenine, guanine, uracil and allantoin, sharing similar - but not identical - solute recognition specificity with the evolutionary distant NCS1 from Arabidopsis thaliana. The results suggest that the solute specificity for plant NCS1 occurred early in plant evolution and are distinct from solute transport specificities of single cell fungal NCS1 proteins. Copyright © 2013 Elsevier Masson SAS. All rights reserved.
International Nuclear Information System (INIS)
McLaren, R.; Sudicky, E.; Therrien, R.; Benabderrahmane, H.
2010-01-01
discrete fracture approach. These simulations aim to estimate the uncertainty or discrepancy associated with the single continuum approximation. Simulations have been conducted with the HydroGeoSphere model, which simulates three-dimensional fluid flow and solute transport in heterogeneous porous media. The model uses the control volume finite element method to solve the governing flow and transport equations, and rectangular block and prism elements are used to discretize the three-dimensional simulation domain. A sub-gridding algorithm has also been implemented for multi-scale simulations, where transition elements allow efficient mesh refinement in areas where finer discretization is needed. To represent fluid flow and solute transport in fractured porous media, the model uses a series of different conceptual models that range from the equivalent porous medium approach (single continuum), the dual continuum approach and the discrete fracture approach. The dual continuum approach assumes that, at a given location, the fractured porous medium can be represented by two separate continua, the porous rock matrix and the fractures, with flow and transport properties defined for each continuum and fluid pressure and solute concentration computed separately in each continuum. Fluid and solute exchange between the continua are described by a Darcy-type relationship and by an advective dispersive mass transfer term, respectively, and individual fracture location and geometry need not be specified in the model. For the discrete fracture approach, on the other hand, the exact location and geometry of individual fractures is specified and flow and transport in fractures is coupled to flow and transport in the rock matrix by assuming either instantaneous equilibrium at a fracture-matrix intersection, or by using first-order fluid and mass transfer terms. For the simulations presented here, the dual continuum approach is used to represent flow and transport in the Oxfordian and Dogger
Organic Solute Transporter α-β Protects Ileal Enterocytes From Bile Acid–Induced InjurySummary
Directory of Open Access Journals (Sweden)
Courtney B. Ferrebee
Full Text Available Background & Aims: Ileal bile acid absorption is mediated by uptake via the apical sodium-dependent bile acid transporter (ASBT, and export via the basolateral heteromeric organic solute transporter α-β (OSTα-OSTβ. In this study, we investigated the cytotoxic effects of enterocyte bile acid stasis in Ostα-/- mice, including the temporal relationship between intestinal injury and initiation of the enterohepatic circulation of bile acids. Methods: Ileal tissue morphometry, histology, markers of cell proliferation, gene, and protein expression were analyzed in male and female wild-type and Ostα-/- mice at postnatal days 5, 10, 15, 20, and 30. Ostα-/-Asbt-/- mice were generated and analyzed. Bile acid activation of intestinal Nrf2-activated pathways was investigated in Drosophila. Results: As early as day 5, Ostα-/- mice showed significantly increased ileal weight per length, decreased villus height, and increased epithelial cell proliferation. This correlated with premature expression of the Asbt and induction of bile acid–activated farnesoid X receptor target genes in neonatal Ostα-/- mice. Expression of reduced nicotinamide adenine dinucleotide phosphate oxidase-1 and Nrf2–anti-oxidant responsive genes were increased significantly in neonatal Ostα-/- mice at these postnatal time points. Bile acids also activated Nrf2 in Drosophila enterocytes and enterocyte-specific knockdown of Nrf2 increased sensitivity of flies to bile acid–induced toxicity. Inactivation of the Asbt prevented the changes in ileal morphology and induction of anti-oxidant response genes in Ostα-/- mice. Conclusions: Early in postnatal development, loss of Ostα leads to bile acid accumulation, oxidative stress, and a restitution response in ileum. In addition to its essential role in maintaining bile acid homeostasis, Ostα-Ostβ functions to protect the ileal epithelium against bile acid–induced injury. NCBI Gene Expression Omnibus: GSE99579. Keywords: Ileum
Michael, Holly A.; Khan, Mahfuzur R.
2016-12-01
Aquifer heterogeneity presents a primary challenge in predicting the movement of solutes in groundwater systems. The problem is particularly difficult on very large scales, across which permeability, chemical properties, and pumping rates may vary by many orders of magnitude and data are often sparse. An example is the fluvio-deltaic aquifer system of Bangladesh, where naturally-occurring arsenic (As) exists over tens of thousands of square kilometers in shallow groundwater. Millions of people in As-affected regions rely on deep (≥150 m) groundwater as a safe source of drinking water. The sustainability of this resource has been evaluated with models using effective properties appropriate for a basin-scale contamination problem, but the extent to which preferential flow affects the timescale of downward migration of As-contaminated shallow groundwater is unknown. Here we embed detailed, heterogeneous representations of hydraulic conductivity (K), pumping rates, and sorptive properties (Kd) within a basin-scale numerical groundwater flow and solute transport model to evaluate their effects on vulnerability and deviations from simulations with homogeneous representations in two areas with different flow systems. Advective particle tracking shows that heterogeneity in K does not affect average travel times from shallow zones to 150 m depth, but the travel times of the fastest 10% of particles decreases by a factor of ∼2. Pumping distributions do not strongly affect travel times if irrigation remains shallow, but increases in the deep pumping rate substantially reduce travel times. Simulation of advective-dispersive transport with sorption shows that deep groundwater is protected from contamination over a sustainable timeframe (>1000 y) if the spatial distribution of Kd is uniform. However, if only low-K sediments sorb As, 30% of the aquifer is not protected. Results indicate that sustainable management strategies in the Bengal Basin should consider impacts of both
International Nuclear Information System (INIS)
Suzuki, Shunichi; Motoshima, Takayuki; Naemura, Yumi; Kubo, Shin; Kanie, Shunji
2009-01-01
The authors develop a numerical code based on Local Discontinuous Galerkin Method for transient groundwater flow and reactive solute transport problems in order to make it possible to do three dimensional performance assessment on radioactive waste repositories at the earliest stage possible. Local discontinuous Galerkin Method is one of mixed finite element methods which are more accurate ones than standard finite element methods. In this paper, the developed numerical code is applied to several problems which are provided analytical solutions in order to examine its accuracy and flexibility. The results of the simulations show the new code gives highly accurate numeric solutions. (author)
Abstracts of the symposium on unsaturated flow and transport modeling
International Nuclear Information System (INIS)
1982-03-01
Abstract titles are: Recent developments in modeling variably saturated flow and transport; Unsaturated flow modeling as applied to field problems; Coupled heat and moisture transport in unsaturated soils; Influence of climatic parameters on movement of radionuclides in a multilayered saturated-unsaturated media; Modeling water and solute transport in soil containing roots; Simulation of consolidation in partially saturated soil materials; modeling of water and solute transport in unsaturated heterogeneous fields; Fluid dynamics and mass transfer in variably-saturated porous media; Solute transport through soils; One-dimensional analytical transport modeling; Convective transport of ideal tracers in unsaturated soils; Chemical transport in macropore-mesopore media under partially saturated conditions; Influence of the tension-saturated zone on contaminant migration in shallow water regimes; Influence of the spatial distribution of velocities in porous media on the form of solute transport; Stochastic vs deterministic models for solute movement in the field; and Stochastic analysis of flow and solute transport
Directory of Open Access Journals (Sweden)
Anderson L. de Souza
2011-12-01
Full Text Available O sucesso na utilização de modelos matemáticos no estudo do transporte de íons no solo está intimamente ligado à precisão com que os parâmetros de transporte envolvidos neste processo são estabelecidos. De maneira geral, tais parâmetros são determinados mediante a resolução de um problema de otimização não linear em que os dados experimentais, obtidos em ensaios de deslocamento miscível, são ajustados a um modelo teórico. Neste sentido, a utilização de softwares de alta performance no ajuste destes parâmetros mostra-se vantajosa, uma vez que, além da consistência e da disponibilidade de ferramentas numéricas preexistentes, possibilita a incorporação de novas rotinas de acordo com o fenômeno que se queira simular. Sendo assim, este trabalho teve como objetivo desenvolver, em ambiente MATLAB 6.5, uma rotina computacional para a otimização dos seguintes parâmetros de transporte: fator de retardamento (R e coeficiente de dispersão (D. A rotina desenvolvida foi aplicada a dados experimentais de três ensaios de deslocamento miscível do íon potássio em colunas preenchidas com um Latossolo Vermelho- -Amarelo, fase arenosa. A qualidade dos ajustes obtidos foi avaliada utilizando-se do coeficiente de exatidão. Concluiu-se que a rotina proposta apresentou ótimo desempenho, o que, além de reforçar a consistência do método numérico utilizado, indica que a rotina proposta neste trabalho pode contribuir com o avanço dos estudos teóricos da dinâmica da água e de solutos em meios porosos não saturados.The successful use of mathematical models in studies of solute transport in soil is dependent on the accuracy to which the transport parameters involved in this process can be specified. In general, these parameters are determined by using nonlinear optimization techniques to fit theoretical models to experimental data obtained in miscible displacement experiments. The use, therefore, of high-performance software to
International Nuclear Information System (INIS)
Mazumdar, Tanay; Degweker, S.B.
2017-01-01
Highlights: • In Method of Characteristics, the neutron source within a mesh is expanded up to linear term. • This expansion reduces the number of meshes as compared to flat source assumption. • Poor representation of circular geometry with coarser meshes is corrected. • Few benchmark problems are solved to show the advantages of linear expansion of source. • The advantage of the present formalism is quite visible in problems with large flux gradient. - Abstract: A common assumption in the solution of the neutron transport equation by the Method of Characteristics (MOC) is that the source (or flux) is constant within a mesh. This assumption is adequate provided the meshes are small enough so that the spatial variation of flux within a mesh may be ignored. Whether a mesh is small enough or not depends upon the flux gradient across a mesh, which in turn depends on factors like the presence of strong absorbers, localized sources or vacuum boundaries. The flat flux assumption often requires a very large number of meshes for solving the neutron transport equation with acceptable accuracy as was observed in our earlier work on the subject. A significant reduction in the required number of meshes is attainable by using a higher order representation of the flux within a mesh. In this paper, we expand the source within a mesh up to first order (linear) terms, which permits the use of larger sized (and therefore fewer) meshes and thereby reduces the computation time without compromising the accuracy of calculation. Since the division of the geometry into meshes is through an automatic triangulation procedure using the Bowyer-Watson algorithm, representation of circular objects (cylindrical fuel rods) with coarse meshes is poorer and causes geometry related errors. A numerical recipe is presented to make a correction to the automatic triangulation process and thereby eliminate this source of error. A number of benchmark problems are analyzed to emphasize the
Graham, Brian T; Moore, Axel C; Burris, David L; Price, Christopher
2018-04-11
The interstitial fluid within articular cartilage shields the matrix from mechanical stresses, reduces friction and wear, enables biochemical processes, and transports solutes into and out of the avascular extracellular matrix. The balanced competition between fluid exudation and recovery under load is thus critical to the mechanical and biological functions of the tissue. We recently discovered that sliding alone can induce rapid solute transport into buried cartilage contact areas via a phenomenon termed tribological rehydration. In this study, we use in situ confocal microscopy measurements to track the spatiotemporal propagation of a small neutral solute into the buried contact area to clarify the fluid mechanics underlying the tribological rehydration phenomenon. Sliding experiments were interrupted by periodic static loading to enable scanning of the entire contact area. Spatiotemporal patterns of solute transport combined with tribological data suggested pressure driven flow through the extracellular matrix from the contact periphery rather than into the surface via a fluid film. Interestingly, these testing interruptions also revealed dynamic, repeatable and history-independent fluid loss and recovery processes consistent with those observed in vivo. Unlike the migrating contact area, which preserves hydration by moving faster than interstitial fluid can flow, our results demonstrate that the stationary contact area can maintain and actively recover hydration through a dynamic competition between load-induced exudation and sliding-induced recovery. The results demonstrate that sliding contributes to the recovery of fluid and solutes by cartilage within the contact area while clarifying the means by which it occurs. Copyright © 2018 Elsevier Ltd. All rights reserved.
International Nuclear Information System (INIS)
Chen Qichang; Wu Hongchun; Cao Liangzhi
2008-01-01
A new 2D neutron transport code AutoMOC for arbitrary geometry has been developed. This code is based on the method of characteristics (MOCs) and the customization of AutoCAD. The MOC solves the neutron transport equation along characteristic lines. It is independent of the geometric shape of boundaries and regions. So theoretically, this method can be used to solve the neutron transport equation in highly complex geometries. However, it is important to describe the geometry and calculate intersection points of each characteristic line with every boundary and region in advance. In complex geometries, due to the complications of treating the arbitrary domain, the selection of geometric shapes and efficiency of ray tracing are generally limited. The geometry treatment through the customization of AutoCAD, a widely used computer-aided design software package, is given in this paper. Thanks to the powerful capability of AutoCAD, the description of arbitrary geometry becomes quite convenient. Moreover, with the language Visual Basic for Applications (VBAs), AutoCAD can be customized to carry out the ray tracing procedure with a high flexibility in geometry. The numerical results show that AutoMOC can solve 2D neutron transport problems in a complex geometry accurately and effectively
Energy Technology Data Exchange (ETDEWEB)
Chen Qichang; Wu Hongchun [School of Nuclear Science and Technology, Xi' an Jiaotong University, Xi' an Shaanxi 710049 (China); Cao Liangzhi [School of Nuclear Science and Technology, Xi' an Jiaotong University, Xi' an Shaanxi 710049 (China)], E-mail: caolz@mail.xjtu.edu.cn
2008-10-15
A new 2D neutron transport code AutoMOC for arbitrary geometry has been developed. This code is based on the method of characteristics (MOCs) and the customization of AutoCAD. The MOC solves the neutron transport equation along characteristic lines. It is independent of the geometric shape of boundaries and regions. So theoretically, this method can be used to solve the neutron transport equation in highly complex geometries. However, it is important to describe the geometry and calculate intersection points of each characteristic line with every boundary and region in advance. In complex geometries, due to the complications of treating the arbitrary domain, the selection of geometric shapes and efficiency of ray tracing are generally limited. The geometry treatment through the customization of AutoCAD, a widely used computer-aided design software package, is given in this paper. Thanks to the powerful capability of AutoCAD, the description of arbitrary geometry becomes quite convenient. Moreover, with the language Visual Basic for Applications (VBAs), AutoCAD can be customized to carry out the ray tracing procedure with a high flexibility in geometry. The numerical results show that AutoMOC can solve 2D neutron transport problems in a complex geometry accurately and effectively.
International Nuclear Information System (INIS)
Amor, H.; Bourgeois, M.
2012-01-01
using an adaptive mesh refinement strategy was introduced in MELODIE for the simulation of groundwater flow and solute transport in saturated porous media in 2 dimensions. The selected estimator, based on the explicit residual error, is expected to allow local refinements and thus minimization of the discretization error at an optimal computational cost. Test case: a realistic heterogeneous case with fracturing. In addition to theoretical test cases a more complex case was tested. The purpose of this test case was twofold: - to move from pure theoretical work to an illustrative case within a realistic generic context; however parameter values for hydrodynamic characteristics were chosen so as to highlight the investigated phenomena; - to account for large time and space scales, representative for those required for the simulation of radioactive waste repositories. The general shape of the geological media was designed to cover main features representative of sedimentary formations. Three distinct radionuclide source locations were chosen in order to obtain a set of flow and transport configurations. The entire layer sequence was structured into three hydrogeological units intersected by three sub-vertical faults. The vertical 2D cross-section dimensions are 5 km long by 500 m thick. Two source terms are located in a 100 m-thick layer in the right part of the domain and another one is located in a larger layer in the left part. These two 'host rock' layers consist of the same sedimentary unit with a low permeability, though an offset due to the middle fault. Faults are considered as conductive features. Radionuclides are assumed to be instantaneously released from the three source term locations at t = 0. The a posteriori error estimator and the adaptive mesh algorithm were applied to this heterogeneous problem. Preliminary calculations showed that the implemented a posteriori error estimator method is efficient to solve the equations of flow and advective
Energy Technology Data Exchange (ETDEWEB)
Birkholzer, J.; Karasaki, K. [Lawrence Berkeley National Lab., CA (United States). Earth Sciences Div.
1996-07-01
Fracture network simulators have extensively been used in the past for obtaining a better understanding of flow and transport processes in fractured rock. However, most of these models do not account for fluid or solute exchange between the fractures and the porous matrix, although diffusion into the matrix pores can have a major impact on the spreading of contaminants. In the present paper a new finite element code TRIPOLY is introduced which combines a powerful fracture network simulator with an efficient method to account for the diffusive interaction between the fractures and the adjacent matrix blocks. The fracture network simulator used in TRIPOLY features a mixed Lagrangian-Eulerian solution scheme for the transport in fractures, combined with an adaptive gridding technique to account for sharp concentration fronts. The fracture-matrix interaction is calculated with an efficient method which has been successfully used in the past for dual-porosity models. Discrete fractures and matrix blocks are treated as two different systems, and the interaction is modeled by introducing sink/source terms in both systems. It is assumed that diffusive transport in the matrix can be approximated as a one-dimensional process, perpendicular to the adjacent fracture surfaces. A direct solution scheme is employed to solve the coupled fracture and matrix equations. The newly developed combination of the fracture network simulator and the fracture-matrix interaction module allows for detailed studies of spreading processes in fractured porous rock. The authors present a sample application which demonstrate the codes ability of handling large-scale fracture-matrix systems comprising individual fractures and matrix blocks of arbitrary size and shape.
International Nuclear Information System (INIS)
Liu, L.; Neretnieks, I.
2005-01-01
Full text of publication follows: Canisters with spent fuel will be deposited in fractured crystalline rock in the Swedish concept for a final repository. The fractures intersect the canister holes at different angles and they have variable apertures and therefore locally varying flowrates. Our previous model with fractures with a constant aperture and a 90 deg. intersection angle is now extended to arbitrary intersection angles and stochastically variable apertures. It is shown the previous basic model can be simply amended to account for these effects. The mean and the standard deviation of the water flowrate in the fractures are obtained from the statistics of the aperture variations by a simple formula. Likewise, the statistical form of distribution of the so-called 'equivalent flowrate', which describes the mass transfer of solutes between the canister and the flowing water, is also obtained by a simple relation. These simple statistical relations obviate the need to simulate each fracture that intersects a canister in great detail. The water flowrate and the equivalent flowrate of a fracture are instead taken from the simple distributions presented in this work. This allows the use of complex fractures also in very large fracture network models used in performance assessment. The distributions have been obtained by generating a multitude of fractures and by studying their flow and transport properties. Fractal as well as Gaussian aperture distributions have been studied. It has been found that the distributions of the volumetric and the equivalent flow rates are all close to the Normal for both types of fractures, with the mean of the distribution of the volumetric flow rate being determined solely by the hydraulic aperture, and that of the equivalent flow rate being determined by the mechanical aperture. Moreover, the standard deviation of the volumetric flow rates of the many realizations increases with increasing roughness and spatial correlation length of
International Nuclear Information System (INIS)
Miller, I.; Roman, K.
1979-12-01
In order to perform studies of the influence of regional groundwater flow systems on the long-term performance of potential high-level nuclear waste repositories, it was determined that an adequate computer model would have to consider the full three-dimensional flow system. Golder Associates' SOLTR code, while three-dimensional, has an overly simple algorithm for simulating the passage of radionuclides from one aquifier to another above or below it. Part 1 of this report describes the algorithm developed to provide SOLTR with an improved capability for simulating interaquifer transport
Pouran, Behdad; Arbabi, Vahid; Zadpoor, Amir A; Weinans, Harrie
2016-12-01
The metabolic function of cartilage primarily depends on transport of solutes through diffusion mechanism. In the current study, we use contrast enhanced micro-computed tomography to determine equilibrium concentration of solutes through different cartilage zones and solute flux in the cartilage, using osteochondral plugs from equine femoral condyles. Diffusion experiments were performed with two solutes of different charge and approximately equal molecular weight, namely iodixanol (neutral) and ioxaglate (charge=-1) in order to isolate the effects of solute's charge on diffusion. Furthermore, solute concentrations as well as bath osmolality were changed to isolate the effects of steric hindrance on diffusion. Bath concentration and bath osmolality only had minor effects on the diffusion of the neutral solute through cartilage at the surface, middle and deep zones, indicating that the diffusion of the neutral solute was mainly Fickian. The negatively charged solute diffused considerably slower through cartilage than the neutral solute, indicating a large non-Fickian contribution in the diffusion of charged molecules. The numerical models determined maximum solute flux in the superficial zone up to a factor of 2.5 lower for the negatively charged solutes (charge=-1) as compared to the neutral solutes confirming the importance of charge-matrix interaction in diffusion of molecules across cartilage. Copyright © 2016 IPEM. Published by Elsevier Ltd. All rights reserved.
Secomb, Timothy W
2016-12-01
A novel theoretical method is presented for simulating the spatially resolved convective and diffusive transport of reacting solutes between microvascular networks and the surrounding tissues. The method allows for efficient computational solution of problems involving convection and non-linear binding of solutes in blood flowing through microvascular networks with realistic 3D geometries, coupled with transvascular exchange and diffusion and reaction in the surrounding tissue space. The method is based on a Green's function approach, in which the solute concentration distribution in the tissue is expressed as a sum of fields generated by time-varying distributions of discrete sources and sinks. As an example of the application of the method, the washout of an inert diffusible tracer substance from a tissue region perfused by a network of microvessels is simulated, showing its dependence on the solute's transvascular permeability and tissue diffusivity. Exponential decay of the washout concentration is predicted, with rate constants that are about 10-30% lower than the rate constants for a tissue cylinder model with the same vessel length, vessel surface area and blood flow rate per tissue volume. © The authors 2015. Published by Oxford University Press on behalf of the Institute of Mathematics and its Applications. All rights reserved.
Soltanian, Mohamad Reza; Ritzi, Robert W; Dai, Zhenxue; Huang, Chao Cheng
2015-03-01
Physical and chemical heterogeneities have a large impact on reactive transport in porous media. Examples of heterogeneous attributes affecting reactive mass transport are the hydraulic conductivity (K), and the equilibrium sorption distribution coefficient (Kd). This paper uses the Deng et al. (2013) conceptual model for multimodal reactive mineral facies and a Lagrangian-based stochastic theory in order to analyze the reactive solute dispersion in three-dimensional anisotropic heterogeneous porous media with hierarchical organization of reactive minerals. An example based on real field data is used to illustrate the time evolution trends of reactive solute dispersion. The results show that the correlation between the hydraulic conductivity and the equilibrium sorption distribution coefficient does have a significant effect on reactive solute dispersion. The anisotropy ratio does not have a significant effect on reactive solute dispersion. Furthermore, through a sensitivity analysis we investigate the impact of changing the mean, variance, and integral scale of K and Kd on reactive solute dispersion. Copyright © 2014 Elsevier Ltd. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Kellner, Erik [Dept. of Forest Ecology, Univ. of Helsinki (Finland)
2007-02-15
In this report it is examined to what extent the variation in hydraulic conductivity within a peatland and adjoining sediments would affect the flow patterns within it under some certain hydraulic-head gradients and other certain border conditions. The first part of the report contains a short review of organic and mineral-soil sediment types and characteristics and what we know about present peatlands and underlying sediments in the SKB investigation areas today. In the next part, a 2-dimensional model is used to simulate flows and transports in different settings of a peatland, with the objective of studying the effects of some particular factors: 1. The magnitude of the hydraulic conductivity of the peat and of underlying layers. 2. Presence and positions of cracks in underlying clay layers. 3. Anisotropy and heterogeneity in peat hydraulic conductivity. 4. The size of the water recharge at the peatland surface. 5. The seasonal variation of the water recharge. The modelling results show that the importance of flow direction decreases with decreasing hydraulic conductivity in the peatland. This occurs as the convective flux is slowed down and the transport is taken over by the diffusive flux. Because the lowest hydraulic conductivity layer to large extent determines the size of the flow, presence of a low-conductivity layer, such as a layer of clay, is an important factor. Presence of cracks in such tight layers can increase the transport of solutes into the peat. The highest inflow rates are reached when such cracks occur in discharge areas with strong upward flow. On the other hand, a conservative solute can spread efficiently if there is a crack in low-flow locations. The effect of anisotropy is found to be small, partly because the horizontal gradients become smaller as distances are larger. The effect of layers with high or low permeability varies depending on the location and the prevailing gradients. One tight layer has a strong effect on the flow pattern
International Nuclear Information System (INIS)
Kellner, Erik
2007-02-01
In this report it is examined to what extent the variation in hydraulic conductivity within a peatland and adjoining sediments would affect the flow patterns within it under some certain hydraulic-head gradients and other certain border conditions. The first part of the report contains a short review of organic and mineral-soil sediment types and characteristics and what we know about present peatlands and underlying sediments in the SKB investigation areas today. In the next part, a 2-dimensional model is used to simulate flows and transports in different settings of a peatland, with the objective of studying the effects of some particular factors: 1. The magnitude of the hydraulic conductivity of the peat and of underlying layers. 2. Presence and positions of cracks in underlying clay layers. 3. Anisotropy and heterogeneity in peat hydraulic conductivity. 4. The size of the water recharge at the peatland surface. 5. The seasonal variation of the water recharge. The modelling results show that the importance of flow direction decreases with decreasing hydraulic conductivity in the peatland. This occurs as the convective flux is slowed down and the transport is taken over by the diffusive flux. Because the lowest hydraulic conductivity layer to large extent determines the size of the flow, presence of a low-conductivity layer, such as a layer of clay, is an important factor. Presence of cracks in such tight layers can increase the transport of solutes into the peat. The highest inflow rates are reached when such cracks occur in discharge areas with strong upward flow. On the other hand, a conservative solute can spread efficiently if there is a crack in low-flow locations. The effect of anisotropy is found to be small, partly because the horizontal gradients become smaller as distances are larger. The effect of layers with high or low permeability varies depending on the location and the prevailing gradients. One tight layer has a strong effect on the flow pattern
International Nuclear Information System (INIS)
Walter, G.R.
1982-10-01
Theoretical and experimental studies of the chemical and physical factors which affect molecular diffusion of dissolved substances from fractures into a tuffaceous rock matrix have been made on rocks from G-Tunnel and Yucca Mountain at the Nevada Test Site (NTS). A variety of groundwater tracers, which may be useful in field tests at the NTS, have also been developed and tested. Although a number of physical/chemical processes may cause nonconvective transport of dissolved species from fractures into the tuff matrix, molecular diffusion seems to be the most important process. Molecular diffusion in these rocks is controlled by the composition of the groundwater through multicomponent effects and several rock properties. The porosities of the samples studied ranged from about 0.1 to 0.4. The constrictivity-tortuosity parameter ranged from 0.1 and 0.3 and effective matrix-diffusion coefficients were measured to be between 2 to 17. x 10 -7 c, 2 /s for sodium halides and sodium pentafluorobenzoate. Total porosity was found to be the principle factor accounting for the variation in effective diffusion coefficients. The constrictivity-tortuosity factor was found to have a fair correlation (r = 0.75) with the median pore diameters measured by mercury intrusion. Measurements of bulk-rock electrical impedance changes with frequency indicate that the constrictivity factor has a maximum value of 0.8 to 1, but may be smaller. If the larger values are correct, then the diffusion paths in tuff are more tortuous than in granular media. Computation of the full diffusion-coefficient matrix for various tracers in J-13 well water from the NTS indicates coupling of the diffusion fluxes of all ionic species. These effects are being incorporated into a numerical model of multicomponent-matrix diffusion
Bloem, E.; French, H. K.
2013-12-01
Monitoring contaminant transport at contaminated sites requires optimization of the configuration of a limited number of samplings points combined with heterogeneous flow and preferential flowpaths. Especially monitoring processes in the unsaturated zone is a major challenge due to the limited volume monitored by for example suction cups and their risk to clog in a highly active degradation zone. To make progress on soil contamination assessment and site characterization there is a strong need to integrate field-sale extensively instrumented tools, with non-invasive (geophysical) methods which provide spatially integrated measurements also in the unsaturated zone. Examples of sites that might require monitoring activities in the unsaturated zone are airports with winter frost where large quantities of de-icing chemicals are used each winter; salt and contaminant infiltration along roads; constructed infiltration systems for treatment of sewerage or landfill seepage. Electrical resistivity methods have proved to be useful as an indirect measurement of subsurface properties and processes at the field-scale. The non-uniqueness of the interpretation techniques can be reduced by constraining the inversion through the addition of independent geophysical measurements along the same profile. Or interpretation and understanding of geophysical images can be improved by the combination with classical measurements of soil physical properties, soil suction, contaminant concentration and temperatures. In our experiment, at the research field station at Gardermoen, Oslo airport, we applied a degradable de-icing chemical and an inactive tracer to the snow cover prior to snowmelt. To study the solute transport processes in the unsaturated zone time-lapse cross borehole electrical resistivity tomography (ERT) measurements were conducted at the same time as soil water samples were extracted at multiple depths with suction cups. Measurements of soil temperature, and soil tension were
Energy Technology Data Exchange (ETDEWEB)
Martinez Najera, Juan Diego [Comision Federal de Electricidad (Mexico)
2002-06-01
This paper establishes the theoretical foundations of a mathematical methodology to approach the rehabilitation of aquifers contaminated by dissolved substances, with the assistance of numerical techniques. The derived algorithms are of control or management type, since simultaneously to the predictive numerical solution of the solute transport equation, they determine those solutions that fulfil water quality restrictions. The controlling variable is the concentration of the polluting agent dissolved in the flow field. The considerations are kinematics because they take into account the advection and dispersion terms, but they also considerate the first order kinetic sorption model and the sources/sinks for the concentration. We describe the physical arguments and mathematical theory of subdiferentials necessary to establish the control problem of initial and boundary values for the solutes transport equation; afterwards, the primal variational model and the mixed of dual internal control as well as the formal discrete version of both formulations are obtained, so that solution algorithms of finite element semi discrete type are generated. Due to the hyperbolic-parabolic character of the transport equation, when the advective tem is dominant, in this work it is approximated by means of the lkeda's partial upwind technique. To prove the theory a hypothetical example is presented, and we analyze the two possible cases for the concentration of a polluting agent: when it dose not exceed and when it escapes the regulator limits of water quality. In both situations the primal and mixed algorithms determine the appropriate numerical solutions of each kind of problem. [Spanish] Este trabajo establece los fundamentos teoricos de una metodologia matematica para abordar la rehabilitacion de mantos acuiferos contaminados por sustancias disueltas, con la asistencia de tecnicas numericas. Los algoritmos que se derivan son de control o de manejo, ya que inmerso a la
Using Flux Information at Surface Water Boundaries to Improve a Groundwater Flow and Transport Model
National Research Council Canada - National Science Library
Genereux, David
2000-01-01
We investigated the performance of a groundwater flow and solute transport model when different combinations of hydraulic head, seepage flux, and chloride concentration data were used in calibration of the model...
Numerical Modeling for the Solute Uptake from Groundwater by Plants-Plant Uptake Package
El-Sayed, Amr A.
2006-01-01
A numerical model is presented to describe solute transport in groundwater coupled to sorption by plant roots, translocation into plant stems, and finally evapotranspiration. The conceptual model takes into account both Root Concentration Factor, RCF, and Transpiration Stream Concentration Factor, TSCF for chemicals which are a function of Kow. A similar technique used to simulate the solute transport in groundwater to simulate sorption and plant uptake is used. The mathematical equation is s...
Hadron cascade by the method of characteristics
Energy Technology Data Exchange (ETDEWEB)
Tsui, K.H.; Portella, H.M.; Navia, C.E.; Shigueoka, H. [Universidade Federal Fluminense, Niteroi, RJ (Brazil). Inst. de Fisica]. E-mails: tsui@if.uff.br; hmport@if.uff.br; gficnoj@if.uff.br; hisa@if.uff.br; Oliveira, L.C.S. de [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil)]. E-mail: oliveira@cbpf.br
2005-02-01
Hadron diffusion equations with energy-dependent interaction mean free paths and inelasticities are solved using the Mellin transform. Instead of using operators on the finite difference terms, the Mellin transformed equations are Taylor expanded into a first order partial differential equation in atmospheric depth t and in the transform parameter s. Then, these equations are solved by the method of residues. For the case of a regularized power law primary spectrum these hadron fluxes are given by simple residues and one, never before mentioned, essential singularities. A comparison of our solutions with the nucleon flux measured at sea level and with the hadron fluxes measured at t = 840 g/cm{sup 2} and at sea level are made. The agreement between them is in general very good, greater than 90%. In order to check the accuracy of our calculations, a comparison between our solution and the simulated nucleon cascades is also made. (author)
Directory of Open Access Journals (Sweden)
João C. F. Borges Júnior
2006-09-01
Full Text Available Em função deste trabalho, objetivou-se desenvolver e testar um programa computacional para calcular os parâmetros das equações de transporte de solutos no solo, com base no ajustamento de modelos teóricos a dados observados, e executar simulações para a variação espacial e temporal da concentração e do balanço de massa de solutos no perfil do solo. Utilizou-se o método dos mínimos quadrados (Levenberg-Marquardt para obtenção dos estimadores dos parâmetros coeficiente dispersivo-difusivo e fator de retardamento. O programa desenvolvido, denominado Disp, possui interface gráfica que torna simples o seu uso quanto aos procedimentos de entrada de dados, execução dos cálculos e acesso aos resultados. Nos formulários de resultados, gráficos e tabelas relacionados às curvas de efluente podem ser gerados além da possibilidade de se executar simulações quanto à variação espacial e temporal da concentração e do balanço de massa de solutos no perfil do solo. Testes comparativos entre o Disp e o programa CXTFIT, relativos aos cálculos dos parâmetros número de Peclet e fator de retardamento, indicaram equivalência entre os dois programas, porém a interface gráfica do Disp o torna de uso mais simples em relação ao CXTFIT.This study aimed to develop and to test a computer program for calculating the parameters of soil solute transport equations, based on adjustment of theoretical models to observed data, as well as to perform simulations for the space and temporary variations of the concentration and balance of the solute mass in the soil profile. The least-squares method (Levenberg-Marquardt was used to obtain the estimators of the diffusion-dispersion coefficient and retardation factor parameters. The developed program, so-called DISP, is provided with a graphic interface that makes possible its use in procedures for data input, accomplishment of calculations and access to results. In the result forms, a number of
Mathematical modelling of fracture hydrology
International Nuclear Information System (INIS)
Rae, J.; Hodgkinson, D.P.; Robinson, P.C.; Herbert, A.W.
1984-04-01
This progress report contains notes on three aspects of hydrological modelling. Work on hydrodynamic dispersion in fractured media has been extended to transverse dispersion. Further work has been done on diffusion into the rock matrix and its effect on solute transport. The program NAMSOL has been used for the MIRAGE code comparison exercise being organised by Atkins R and D. (author)
Niemann, Sylvia; Burghardt, Markus; Popp, Christian; Riederer, Markus
2013-05-01
The permeability of seed coats to solutes either of biological or anthropogenic origin plays a major role in germination, seedling growth and seed treatment by pesticides. An experimental set-up was designed for investigating the mechanisms of seed coat permeation, which allows steady-state experiments with isolated seed coats of Pisum sativum. Permeances were measured for a set of organic model compounds with different physicochemical properties and sizes. The results show that narrow aqueous pathways dominate the diffusion of solutes across pea seed coats, as indicated by a correlation of permeances with the molecular sizes of the compounds instead of their lipophilicity. Further indicators for an aqueous pathway are small size selectivity and a small effect of temperature on permeation. The application of an osmotic water potential gradient across isolated seed coats leads to an increase in solute transfer, indicating that the aqueous pathways form a water-filled continuum across the seed coat allowing the bulk flow of water. Thus, the uptake of organic solutes across pea testae has two components: (1) by diffusion and (2) by bulk water inflow, which, however, is relevant only during imbibition. © 2012 Blackwell Publishing Ltd.
Energy Technology Data Exchange (ETDEWEB)
Mazurek, M. [Institute of Geological Sciences, University of Berne, Berne (Switzerland); Haller de, A. [Earth and Environmental Sciences, University of Geneva, Geneva (Switzerland)
2017-04-15
Data pertinent to pore-water composition in Opalinus Clay in the Mont Terri and Mont Russelin anticlines have been collected over the last 20 years from long-term in situ pore-water sampling in dedicated boreholes, from laboratory analyses on drill cores and from the geochemical characteristics of vein infills. Together with independent knowledge on regional geology, an attempt is made here to constrain the geochemical evolution of the pore-waters. Following basin inversion and the establishment of continental conditions in the late Cretaceous, the Malm limestones acted as a fresh-water upper boundary leading to progressive out-diffusion of salinity from the originally marine pore-waters of the Jurassic low-permeability sequence. Model calculations suggest that at the end of the Palaeogene, pore-water salinity in Opalinus Clay was about half the original value. In the Chattian/Aquitanian, partial evaporation of sea-water occurred. It is postulated that brines diffused into the underlying sequence over a period of several Myr, resulting in an increase of salinity in Opalinus Clay to levels observed today. This hypothesis is further supported by the isotopic signatures of SO{sub 4}{sup 2-} and {sup 87}Sr/{sup 86}Sr in current pore-waters. These are not simple binary mixtures of sea and meteoric water, but their Cl{sup -} and stable water-isotope signatures can be potentially explained by a component of partially evaporated sea-water. After the re-establishment of fresh-water conditions on the surface and the formation of the Jura Fold and Thrust Belt, erosion caused the activation of aquifers embedding the low-permeability sequence, leading to the curved profiles of various pore-water tracers that are observed today. Fluid flow triggered by deformation events during thrusting and folding of the anticlines occurred and is documented by infrequent vein infills in major fault structures. However, this flow was spatially focussed and of limited duration and so did not
Reexamining ultrafiltration and solute transport in groundwater
Neuzil, C. E.; Person, Mark
2017-06-01
Geologic ultrafiltration—slowing of solutes with respect to flowing groundwater—poses a conundrum: it is consistently observed experimentally in clay-rich lithologies, but has been difficult to identify in subsurface data. Resolving this could be important for clarifying clay and shale transport properties at large scales as well as interpreting solute and isotope patterns for applications ranging from nuclear waste repository siting to understanding fluid transport in tectonically active environments. Simulations of one-dimensional NaCl transport across ultrafiltering clay membrane strata constrained by emerging data on geologic membrane properties showed different ultrafiltration effects than have often been envisioned. In relatively high-permeability advection-dominated regimes, salinity increases occurred mostly within membrane units while their effluent salinity initially fell and then rose to match solute delivery. In relatively low-permeability diffusion-dominated regimes, salinity peaked at the membrane upstream boundary and effluent salinity remained low. In both scenarios, however, only modest salinity changes (up to ˜3 g L-1) occurred because of self-limiting tendencies; membrane efficiency declines as salinity rises, and although sediment compaction increases efficiency, it is also decreases permeability and allows diffusive transport to dominate. It appears difficult for ultrafiltration to generate brines as speculated, but widespread and less extreme ultrafiltration effects in the subsurface could be unrecognized. Conditions needed for ultrafiltration are present in settings that include topographically-driven flow systems, confined aquifer systems subjected to injection or withdrawal, compacting basins, and accretionary complexes.
Advective isotope transport by mixing cell and particle tracking algorithms
International Nuclear Information System (INIS)
Tezcan, L.; Meric, T.
1999-01-01
The 'mixing cell' algorithm of the environmental isotope data evaluation is integrated with the three dimensional finite difference ground water flow model (MODFLOW) to simulate the advective isotope transport and the approach is compared with the 'particle tracking' algorithm of the MOC3D, that simulates three-dimensional solute transport with the method of characteristics technique
Energy Technology Data Exchange (ETDEWEB)
Fevotte, F
2008-10-15
In the past years, the Method of Characteristics (MOC) has become a popular tool for the numerical solution of the neutron transport equation. Among its most interesting advantages are its good precision over computing time ratio, as well as its ability to accurately describe complicated geometries using non structured meshes. In order to reduce the need for computing resources in the method of characteristics, we propose in this dissertation two lines of improvement. The first axis of development is based on an analysis of the transverse integration technique in the method of characteristics. Various limitations have been discerned in this regard, which we intend to correct by proposing a new variant of the method of characteristics. Through a better treatment of material discontinuities in the geometry, our aim is to increase the accuracy of the transverse integration formula in order to decrease the computing resources without sacrificing the quality of the results. This method has been numerically tested in order to show its interest. Analysing the numerical results obtained with this new method also allows better understanding of the transverse integration approximations. Another improvement comes from the observation that industrial reactor cores exhibit very complex structures, but are often partly composed of a lattice of geometrically identical cells or assemblies. We propose a systematic method taking advantage of repetitions in the geometry to reduce the storage requirements for geometric data. Based on the group theory, this method can be employed for all lattice geometries. We present some numerical results showing the interest of the method in industrial contexts. (author)
New methods For Modeling Transport Of Water And Solutes In Soils
DEFF Research Database (Denmark)
Møldrup, Per
Recent models for water and solute transport in unsaturated soils have been mechanistically based but numerically very involved. This dissertation concerns the development of mechanistically-based but numerically simple models for calculating and analyzing transport of water and solutes in soil...
Preliminary - discrete fracture network modelling of tracer migration experiments at the SCV site
International Nuclear Information System (INIS)
Dershowitz, W.S.; Wallmann, P.; Geier, J.E.; Lee, G.
1991-09-01
This report describes a numerical modelling study of solute transport within the Site Characterization and Validation (SCV) block at the Stripa site. The study was carried out with the FracMan/MAFIC package, utilizing statistics from stages 3 and 4 of the Stripa phase 3 Site Characterization and Validation project. Simulations were carried out to calibrate fracture solute transport properties against observations in the first stage of saline injection radar experiments. These results were then used to predict the performance of planned tracer experiments, using both particle tracking network solute transport, and pathways analysis approaches. Simulations were also carried out to predict results of the second stage of saline injection radar experiments. (au) (34 refs.)
International Nuclear Information System (INIS)
Smith, A.; Ward, A.; Geldenhuis, S.
1986-01-01
Over the past fifteen years, prodigious efforts and significant advances have been made in methods of prediction of the migration rate of dissolved species in aqueous systems. Despite such work, there remain formidable obstacles in prediction of solute transport in the unsaturated zone over the long time periods necessarily related to the radionuclide bearing wastes. The objective of this paper is to consider the methods, issues and problems with the use of predictive solute transport models for radionuclide migration from nuclear waste disposal in arid environments, if and when engineering containment of the waste fails. Having considered the ability for long term solute prediction for a number of geological environments, the advantages of a disposal environment in which the solute transport process is diffusion controlled will be described
Geochemical modelling. Column 2: a computer program for simulation of migration
International Nuclear Information System (INIS)
Nielsen, O.J.; Carlsen, L.; Bo, P.
1985-01-01
COLUMN2 is a 1D FORTRAN77 computer program designed for studies of the effects of various physicochemical processes on migration. It solves the solute transport equation and can take into account dispersion, sorption, ion exchange, first and second order homogeneous chemical reactions. Spatial variations of input pulses and retention factors are possible. The method of solution is based on a finite difference discretion followed by the application of the method of characteristics and two separate grid systems. This report explains the mathematical and numerical methods used, describes the necessary input, contains a number of test examples, provides a listing of the program and explains how to acquire the program, adapt it to other computers and run it. This report serves as a manual for the program
Relevant data about subsurface water flow and solute transport at relatively large scales that are of interest to the public are inherently laborious and in most cases simply impossible to obtain. Upscaling in which fine-scale models and data are used to predict changes at the coarser scales is the...
Method of characteristics - Based sensitivity calculations for international PWR benchmark
International Nuclear Information System (INIS)
Suslov, I. R.; Tormyshev, I. V.; Komlev, O. G.
2013-01-01
Method to calculate sensitivity of fractional-linear neutron flux functionals to transport equation coefficients is proposed. Implementation of the method on the basis of MOC code MCCG3D is developed. Sensitivity calculations for fission intensity for international PWR benchmark are performed. (authors)
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
One-dimensional spatially dependent solute transport in semi ...
African Journals Online (AJOL)
Space dependent retardation factor is also taken. The nature of porous media and solute pollutant are considered chemically non-reactive. Initially porous domain is considered solute free and the input source condition is considered uniformly continuous. A new transformation is introduced to solve the advection dispersion ...
Analysis of solute transport in plants using positron emission tomography
International Nuclear Information System (INIS)
Partelova, D.
2016-01-01
In the first part of the work, geometrically and radiochemically characterized standards (phantoms) imitating the plant tissues and allowing the exact quantification of visualised radioindicator in plant tissues were designed and prepared within the study of visual and analytical characteristics of used positron emission tomograph (microPET system) commercially developed for animal objects at visualization of thin objects. Individual experiments carried out by exposure of excised leaves of tobacco (Nicotiana tabacum L.) or radish (Raphanus sativus L.) in solutions of 2-deoxy-2-fluoro-D-glucose labelled with positron emitter 18 F (2-[ 18 F]FDG) containing 10-, 100-, or 1000-times higher concentrations of D-glucose (c glu ) in comparison with the original 2-[ 18 F]FDG solution showed that the significant changes in visualisation of 2-[ 18 F]FDG distribution as well as in chemical portion of 2-[ 18 F]FDG within the leaf blade were observed as result of increased c glu . In the experiments with the whole plants of tobacco or radish exposed in 2-[ 18 F]FDG solution through the root system, only minimal translocation of 18 F radioactivity into the above-ground parts of plants, also in the case of increased c glu , was observed, which suggest the role of root system as a selective barrier of 2-[ 18 F]FDG transport from roots to the above-ground parts. On the basis of mentioned knowledge and analytical approaches (application of prepared phantoms), the dynamic study of 2-[ 18 F]FDG uptake and transport within the excised leaf of tobacco or whole radish plant was carried out. The description of these processes was realized through the 3D PET images and through the quantification of 2-[ 18 F]FDG distribution within the chosen regions of interest from the point of view of accumulated 18 F radioactivity (in Bq) or amount of D-glucose (in μg) as well. Application of methods of multivariate analysis allows to found the similarities between studied objects mainly from the point of view of processes characterising the 2-[ 18 F]FDG uptake and transport in plant tissues, as well as the relationships between the parameters defining the design or initial conditions of experiments and variables obtained within the microPET analysis or direct measurement of radioactivity. Obtained results of mentioned experiments and analyses suggest on the possibility of application of used microPET system in non-invasive in vivo imaging and in quantification of uptake and transport of 2-[ 18 F]FDG in plant tissues under real-time conditions. (author)
Molecular cell biology and physiology of solute transport
Caplan, Michael J.; Seo-Mayer, Patricia; Zhang, Li
2010-01-01
Purpose of review An enormous body of research has been focused on exploring the mechanisms through which epithelial cells establish their characteristic polarity. It is clear that under normal circumstances cell–cell contacts mediated by the calcium-dependent adhesion proteins of the intercellular adhesion junctions are required to initiate complete polarization. Furthermore, formation of the tight, or occluding, junctions that limit paracellular permeability has long been thought to help to establish polarity by preventing the diffusion of membrane proteins between the two plasmalemmal domains. This review will discuss several selected kinases and protein complexes and highlight their relevance to transporting epithelial cell polarization. Recent findings Recent work has shed new light on the roles of junctional complexes in establishing and maintaining epithelial cell polarity. In addition, work from several laboratories, suggests that the formation of these junctions is tied to processes that regulate cellular energy metabolism. Summary Junctional complexes and energy sensing kinases constitute a novel class of machinery whose capacity to generate and modulate epithelial cell polarity is likely to have wide ranging and important physiological ramifications. PMID:18695392
Light-driven solute transport in Halobacterium halobium
Lanyi, J. K.
1979-01-01
The cell membrane of Halobacterium halobium exhibits differential regions which contain crystalline arrays of a single kind of protein, termed bacteriorhodopsin. This bacterial retinal-protein complex resembles the visual pigment and, after the absorption of protons, translocates H(+) across the cell membrane, leading to an electrochemical gradient for protons between the inside and the outside of the cell. Thus, light is an alternate source of energy in these bacteria, in addition to terminal oxidation. The paper deals with work on light-driven transport in H. halobium with cell envelope vesicles. The discussion covers light-driven movements of H(+), Na(+), and K(+); light-driven amino acid transport; and apparent allosteric control of amino acid transport. The scheme of energy coupling in H. halobium vesicles appears simple, its quantitative details are quite complex and reveal regulatory phenomena. More knowledge is required of the way the coupling components are regulated by the ion gradients present.
Coupling of solute transport and cell expansion in pea stems
Schmalstig, J. G.; Cosgrove, D. J.
1990-01-01
As cells expand and are displaced through the elongation zone of the epicotyl of etiolated pea (Pisum sativum L. var Alaska) seedlings, there is little net dilution of the cell sap, implying a coordination between cell expansion and solute uptake from the phloem. Using [14C] sucrose as a phloem tracer (applied to the hypogeous cotyledons), the pattern of label accumulation along the stem closely matched the growth rate pattern: high accumulation in the growing zone, little accumulation in nongrowing regions. Several results suggest that a major portion of phloem contents enters elongating cells through the symplast. We propose that the coordination between phloem transport and cell expansion is accomplished via regulatory pathways affecting both plasmodesmata conductivity and cell expansion.
Solute transport through porous media using asymptotic dispersivity
Indian Academy of Sciences (India)
ber of processes and porous media properties including convective transport .... existence of regions within the porous medium in which there is minimum advective flow. .... concentration at x = L. The initial and the exit boundary conditions can be .... rial was cleaned, washed and dried to ensure that the material free from ...
Temporal moment analysis of solute transport in a coupled fracture ...
Indian Academy of Sciences (India)
by considering an inlet boundary condition of constant continuous source in a single fracture. The effect of various fracture-skin parameters like porosity, thickness and ... Study on fluid flow and transport of solute through fractures has been an .... of solutes is happening normal to the direction of flow due to the free molecular.
Coupled hydrogeological and reactive transport modelling of the Simpevarp area (Sweden)
International Nuclear Information System (INIS)
Molinero, Jorge; Raposo, Juan R.; Galindez, Juan M.; Arcos, David; Guimera, Jordi
2008-01-01
The Simpevarp area is one of the alternative sites being considered for the deep geological disposal of high level radioactive waste in Sweden. In this paper, a coupled regional groundwater flow and reactive solute transport model of the Simpevarp area is presented that integrates current hydrogeological and hydrochemical data of the area. The model simulates the current hydrochemical pattern of the groundwater system in the area. To that aim, a conceptual hydrochemical model was developed in order to represent the dominant chemical processes. Groundwater flow conditions were reproduced by taking into account fluid-density-dependent groundwater flow and regional hydrogeologic boundary conditions. Reactive solute transport calculations were performed on the basis of the velocity field so obtained. The model was calibrated and sensitivity analyses were carried out in order to investigate the effects of heterogeneities of hydraulic conductivity in the subsurface medium. Results provided by the reactive transport model are in good agreement with much of the measured hydrochemical data. This paper emphasizes the appropriateness of the use of reactive solute transport models when water-rock interaction reactions are involved, and demonstrates what powerful tools they are for the interpretation of hydrogeological and hydrochemical data from site geological repository characterization programs, by providing a qualitative framework for data analysis and testing of conceptual assumptions in a process-oriented approach
Benchmark problems for repository siting models
International Nuclear Information System (INIS)
Ross, B.; Mercer, J.W.; Thomas, S.D.; Lester, B.H.
1982-12-01
This report describes benchmark problems to test computer codes used in siting nuclear waste repositories. Analytical solutions, field problems, and hypothetical problems are included. Problems are included for the following types of codes: ground-water flow in saturated porous media, heat transport in saturated media, ground-water flow in saturated fractured media, heat and solute transport in saturated porous media, solute transport in saturated porous media, solute transport in saturated fractured media, and solute transport in unsaturated porous media
Modeling biogechemical reactive transport in a fracture zone
Energy Technology Data Exchange (ETDEWEB)
Molinero, Jorge; Samper, Javier; Yang, Chan Bing, and Zhang, Guoxiang; Guoxiang, Zhang
2005-01-14
A coupled model of groundwater flow, reactive solute transport and microbial processes for a fracture zone of the Aspo site at Sweden is presented. This is the model of the so-called Redox Zone Experiment aimed at evaluating the effects of tunnel construction on the geochemical conditions prevailing in a fracture granite. It is found that a model accounting for microbially-mediated geochemical processes is able to reproduce the unexpected measured increasing trends of dissolved sulfate and bicarbonate. The model is also useful for testing hypotheses regarding the role of microbial processes and evaluating the sensitivity of model results to changes in biochemical parameters.
Modeling biogeochemical reactive transport in a fracture zone
International Nuclear Information System (INIS)
Molinero, Jorge; Samper, Javier; Yang, Chan Bing; Zhang, Guoxiang; Guoxiang, Zhang
2005-01-01
A coupled model of groundwater flow, reactive solute transport and microbial processes for a fracture zone of the Aspo site at Sweden is presented. This is the model of the so-called Redox Zone Experiment aimed at evaluating the effects of tunnel construction on the geochemical conditions prevailing in a fracture granite. It is found that a model accounting for microbially-mediated geochemical processes is able to reproduce the unexpected measured increasing trends of dissolved sulfate and bicarbonate. The model is also useful for testing hypotheses regarding the role of microbial processes and evaluating the sensitivity of model results to changes in biochemical parameters
Verification and validation of models: far-field modelling of radionuclide migration
International Nuclear Information System (INIS)
Porter, J.D.; Herbert, A.W.; Clarke, D.S.; Roe, P.; Vassilic Melling, D.; Einfeldt, B.; Mackay, R.; Glendinning, R.
1992-01-01
The aim of this project was to improve the capability, efficiency and realism of the NAMMU and NAPSAC codes, which simulate groundwater flow and solute transport. Using NAMMU, various solution methods for non linear problems were investigated. The Broyden method gave a useful reduction in computing time and appeared robust. The relative saving obtained with this method increased with the problem size. This was also the case when parameter stepping was used. The existing empirical sorption models in NAMMU were generalized and a ternary heterogeneous ion exchange model was added. These modifications were tested and gave excellent results. The desirability of coupling NAMMU to an existing geochemical speciation code was assessed
Conceptual and Numerical Models for UZ Flow and Transport
International Nuclear Information System (INIS)
Liu, H.
2000-01-01
The purpose of this Analysis/Model Report (AMR) is to document the conceptual and numerical models used for modeling of unsaturated zone (UZ) fluid (water and air) flow and solute transport processes. This is in accordance with ''AMR Development Plan for U0030 Conceptual and Numerical Models for Unsaturated Zone (UZ) Flow and Transport Processes, Rev 00''. The conceptual and numerical modeling approaches described in this AMR are used for models of UZ flow and transport in fractured, unsaturated rock under ambient and thermal conditions, which are documented in separate AMRs. This AMR supports the UZ Flow and Transport Process Model Report (PMR), the Near Field Environment PMR, and the following models: Calibrated Properties Model; UZ Flow Models and Submodels; Mountain-Scale Coupled Processes Model; Thermal-Hydrologic-Chemical (THC) Seepage Model; Drift Scale Test (DST) THC Model; Seepage Model for Performance Assessment (PA); and UZ Radionuclide Transport Models
El-Amin, Mohamed
2011-05-15
Injection of CO2 in hydrocarbon reservoir has double benefit. On the one hand, it is a profitable method due to issues related to global warming, and on the other hand it is an effective mechanism to enhance hydrocarbon recovery. Such injection associates complex processes involving, e.g., solute transport of dissolved materials, in addition to local changes in density of the phases. Also, increasing carbon dioxide injection may cause a structural deformation of the medium, so it is important to include such effect into the model. The structural deformation modelling in carbon sequestration is important to evaluate the medium stability to avoid CO2 leakage to the atmosphere. On the other hand, geologic formation of the medium is usually heterogeneous and consists of several layers of different permeability. In this work we conduct numerical simulation of two-phase flow in a heterogeneous porous medium domain with dissolved solute transport as well as structural deformation effects. The solute transport of the dissolved component is described by concentration equation. The structural deformation for geomechanics is derived from a general local differential balance equation with neglecting the local mass balance of solid phase and the inertial force term. The flux continuity condition is used at interfaces between different permeability layers of the heterogeneous medium. We analyze the vertical migration of a CO2 plume injected into a 2D layered reservoir. Analysis of distribution of flow field components such as saturation, pressures, velocities, and CO2 concentration are presented.
Xu, Zexuan; Hu, Bill
2016-04-01
Dual-permeability karst aquifers of porous media and conduit networks with significant different hydrological characteristics are widely distributed in the world. Discrete-continuum numerical models, such as MODFLOW-CFP and CFPv2, have been verified as appropriate approaches to simulate groundwater flow and solute transport in numerical modeling of karst hydrogeology. On the other hand, seawater intrusion associated with fresh groundwater resources contamination has been observed and investigated in numbers of coastal aquifers, especially under conditions of sea level rise. Density-dependent numerical models including SEAWAT are able to quantitatively evaluate the seawater/freshwater interaction processes. A numerical model of variable-density flow and solute transport - conduit flow process (VDFST-CFP) is developed to provide a better description of seawater intrusion and submarine groundwater discharge in a coastal karst aquifer with conduits. The coupling discrete-continuum VDFST-CFP model applies Darcy-Weisbach equation to simulate non-laminar groundwater flow in the conduit system in which is conceptualized and discretized as pipes, while Darcy equation is still used in continuum porous media. Density-dependent groundwater flow and solute transport equations with appropriate density terms in both conduit and porous media systems are derived and numerically solved using standard finite difference method with an implicit iteration procedure. Synthetic horizontal and vertical benchmarks are created to validate the newly developed VDFST-CFP model by comparing with other numerical models such as variable density SEAWAT, couplings of constant density groundwater flow and solute transport MODFLOW/MT3DMS and discrete-continuum CFPv2/UMT3D models. VDFST-CFP model improves the simulation of density dependent seawater/freshwater mixing processes and exchanges between conduit and matrix. Continuum numerical models greatly overestimated the flow rate under turbulent flow
Ground-water monitoring and modeling at the Hanford Site
International Nuclear Information System (INIS)
Mitchell, P.J.; Freshley, M.D.
1987-01-01
The ground-water monitoring program at the Hanford Site in southeastern Washington State is continually evolving in response to changing operations at the site, changes in the ground-water flow system, movement of the constituents in the aquifers, and regulatory requirements. Sampling and analysis of ground water, along with ground-water flow and solute transport modeling are used to evaluate the movement and resulting distributions of radionuclides and hazardous chemical constituents in the unconfined aquifer. Evaluation of monitoring results, modeling, and information on waste management practices are being combined to continually improve the network of ground-water monitoring wells at the site
Ground-water monitoring and modeling at the Hanford Site
International Nuclear Information System (INIS)
Mitchell, P.J.; Freshley, M.D.
1987-01-01
The ground-water monitoring program at the Hanford Site in southeastern Washington State is continually evolving in response to changing operations at the site, changes in the ground-water flow system, movement of the constituents in the aquifers, and regulatory requirements. Sampling and analysis of ground water, along with ground-water flow and solute transport modeling are used ito evaluate the movement and resulting distributions of radionuclides and hazardous chemical constituents in the unconfined aquifer. Evaluation of monitoring results, modeling, and information on waste management practices are being combined to continually improve the network of ground-water monitoring wells at the site
Multivariate Non-Symmetric Stochastic Models for Spatial Dependence Models
Haslauer, C. P.; Bárdossy, A.
2017-12-01
A copula based multivariate framework allows more flexibility to describe different kind of dependences than what is possible using models relying on the confining assumption of symmetric Gaussian models: different quantiles can be modelled with a different degree of dependence; it will be demonstrated how this can be expected given process understanding. maximum likelihood based multivariate quantitative parameter estimation yields stable and reliable results; not only improved results in cross-validation based measures of uncertainty are obtained but also a more realistic spatial structure of uncertainty compared to second order models of dependence; as much information as is available is included in the parameter estimation: incorporation of censored measurements (e.g., below detection limit, or ones that are above the sensitive range of the measurement device) yield to more realistic spatial models; the proportion of true zeros can be jointly estimated with and distinguished from censored measurements which allow estimates about the age of a contaminant in the system; secondary information (categorical and on the rational scale) has been used to improve the estimation of the primary variable; These copula based multivariate statistical techniques are demonstrated based on hydraulic conductivity observations at the Borden (Canada) site, the MADE site (USA), and a large regional groundwater quality data-set in south-west Germany. Fields of spatially distributed K were simulated with identical marginal simulation, identical second order spatial moments, yet substantially differing solute transport characteristics when numerical tracer tests were performed. A statistical methodology is shown that allows the delineation of a boundary layer separating homogenous parts of a spatial data-set. The effects of this boundary layer (macro structure) and the spatial dependence of K (micro structure) on solute transport behaviour is shown.
Field applications of the channel network model, CHAN3D
International Nuclear Information System (INIS)
Khademi, B.; Gylling, B.; Moreno, L.; Neretnieks, I.
1998-01-01
The Channel Network model and its computer implementation, CHAN3D, was developed to simulate fluid flow and transport of solutes in fractured media. The model has been used to interpret field experiments of flow and transport in small and in large scale. It may also be used for safety assessments of repositories for nuclear and other hazardous wastes. In this case, CHAN3D has been coupled to a compartment model, NUCTRAN, to describe the near field of the repository. The model is based on field observations, which indicate that the flow and solute transport take place in a three-dimensional network of connected channels. The channels have very different properties and they are generated in the model from observed stochastic distributions. This allows us to represent the large heterogeneity of the flow distribution commonly observed in fractured media. Solute transport is modelled considering advection and rock interactions such as matrix diffusion and sorption within the interior of the rock. Objects such as fracture zones, tunnels and release sources can be incorporated in the model
A model for managing sources of groundwater pollution
Gorelick, Steven M.
1982-01-01
The waste disposal capacity of a groundwater system can be maximized while maintaining water quality at specified locations by using a groundwater pollutant source management model that is based upon linear programing and numerical simulation. The decision variables of the management model are solute waste disposal rates at various facilities distributed over space. A concentration response matrix is used in the management model to describe transient solute transport and is developed using the U.S. Geological Survey solute transport simulation model. The management model was applied to a complex hypothetical groundwater system. Large-scale management models were formulated as dual linear programing problems to reduce numerical difficulties and computation time. Linear programing problems were solved using a numerically stable, available code. Optimal solutions to problems with successively longer management time horizons indicated that disposal schedules at some sites are relatively independent of the number of disposal periods. Optimal waste disposal schedules exhibited pulsing rather than constant disposal rates. Sensitivity analysis using parametric linear programing showed that a sharp reduction in total waste disposal potential occurs if disposal rates at any site are increased beyond their optimal values.
Modeling contaminant transport in porous media in relation to nuclear-waste disposal: a review
International Nuclear Information System (INIS)
Grove, D.B.; Kipp, K.L.
1980-01-01
The modeling of solute transport in saturated porous media is reviewed as it is applied to the movement of radioactive waste in the subsurface. Those processes, both physical and chemical, that affect radionuclide movement are discussed and the references that best illustrate these processes listed. Movement is separated into convection, convection-dispersion, and convection-dispersion and chemical reactions. Solutions of equations describing such movement are divided into one-, two-, and three-dimensional analytical and numerical examples. Discussions of recent work in the area of stochastic modeling are followed by discussions of applications of the models to selected field sites
International Nuclear Information System (INIS)
Hasegawa, Takuma; Tanaka, Yasuharu
2004-01-01
A numerical model based on results during pre-investigation phases was applied to the groundwater flow change caused by the construction of AEspoe HRL. The drawdowns and chloride concentration during tunnel construction were simulated to validate the numerical model. The groundwater flow was induced by inflow from the Baltic Sea to the tunnel through the hydraulic conductor domain (HCD). The time series of tunnel progress and inflow, boundaries of the Baltic Sea, transmissivity and geometry of HCD are therefore important in representing the groundwater flow. The numerical model roughly represented the groundwater flow during tunnel construction. These simulations were effective in validating the numerical model for groundwater flow and solute transport. (author)
Runkel, Robert L.
2010-01-01
OTEQ is a mathematical simulation model used to characterize the fate and transport of waterborne solutes in streams and rivers. The model is formed by coupling a solute transport model with a chemical equilibrium submodel. The solute transport model is based on OTIS, a model that considers the physical processes of advection, dispersion, lateral inflow, and transient storage. The equilibrium submodel is based on MINTEQ, a model that considers the speciation and complexation of aqueous species, acid-base reactions, precipitation/dissolution, and sorption. Within OTEQ, reactions in the water column may result in the formation of solid phases (precipitates and sorbed species) that are subject to downstream transport and settling processes. Solid phases on the streambed may also interact with the water column through dissolution and sorption/desorption reactions. Consideration of both mobile (waterborne) and immobile (streambed) solid phases requires a unique set of governing differential equations and solution techniques that are developed herein. The partial differential equations describing physical transport and the algebraic equations describing chemical equilibria are coupled using the sequential iteration approach. The model's ability to simulate pH, precipitation/dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between instream chemistry and hydrologic transport at the field scale. This report details the development and application of OTEQ. Sections of the report describe model theory, input/output specifications, model applications, and installation instructions. OTEQ may be obtained over the Internet at http://water.usgs.gov/software/OTEQ.
The Channel Network model and field applications
International Nuclear Information System (INIS)
Khademi, B.; Moreno, L.; Neretnieks, I.
1999-01-01
The Channel Network model describes the fluid flow and solute transport in fractured media. The model is based on field observations, which indicate that flow and transport take place in a three-dimensional network of connected channels. The channels are generated in the model from observed stochastic distributions and solute transport is modeled taking into account advection and rock interactions, such as matrix diffusion and sorption within the rock. The most important site-specific data for the Channel Network model are the conductance distribution of the channels and the flow-wetted surface. The latter is the surface area of the rock in contact with the flowing water. These parameters may be estimated from hydraulic measurements. For the Aespoe site, several borehole data sets are available, where a packer distance of 3 meters was used. Numerical experiments were performed in order to study the uncertainties in the determination of the flow-wetted surface and conductance distribution. Synthetic data were generated along a borehole and hydraulic tests with different packer distances were simulated. The model has previously been used to study the Long-term Pumping and Tracer Test (LPT2) carried out in the Aespoe Hard Rock Laboratory (HRL) in Sweden, where the distance travelled by the tracers was of the order hundreds of meters. Recently, the model has been used to simulate the tracer tests performed in the TRUE experiment at HRL, with travel distance of the order of tens of meters. Several tracer tests with non-sorbing and sorbing species have been performed
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...
Discrete Feature Model (DFM) User Documentation
International Nuclear Information System (INIS)
Geier, Joel
2008-06-01
This manual describes the Discrete-Feature Model (DFM) software package for modelling groundwater flow and solute transport in networks of discrete features. A discrete-feature conceptual model represents fractures and other water-conducting features around a repository as discrete conductors surrounded by a rock matrix which is usually treated as impermeable. This approximation may be valid for crystalline rocks such as granite or basalt, which have very low permeability if macroscopic fractures are excluded. A discrete feature is any entity that can conduct water and permit solute transport through bedrock, and can be reasonably represented as a piecewise-planar conductor. Examples of such entities may include individual natural fractures (joints or faults), fracture zones, and disturbed-zone features around tunnels (e.g. blasting-induced fractures or stress-concentration induced 'onion skin' fractures around underground openings). In a more abstract sense, the effectively discontinuous nature of pathways through fractured crystalline bedrock may be idealized as discrete, equivalent transmissive features that reproduce large-scale observations, even if the details of connective paths (and unconnected domains) are not precisely known. A discrete-feature model explicitly represents the fundamentally discontinuous and irregularly connected nature of systems of such systems, by constraining flow and transport to occur only within such features and their intersections. Pathways for flow and solute transport in this conceptualization are a consequence not just of the boundary conditions and hydrologic properties (as with continuum models), but also the irregularity of connections between conductive/transmissive features. The DFM software package described here is an extensible code for investigating problems of flow and transport in geological (natural or human-altered) systems that can be characterized effectively in terms of discrete features. With this software, the
Discrete Feature Model (DFM) User Documentation
Energy Technology Data Exchange (ETDEWEB)
Geier, Joel (Clearwater Hardrock Consulting, Corvallis, OR (United States))
2008-06-15
This manual describes the Discrete-Feature Model (DFM) software package for modelling groundwater flow and solute transport in networks of discrete features. A discrete-feature conceptual model represents fractures and other water-conducting features around a repository as discrete conductors surrounded by a rock matrix which is usually treated as impermeable. This approximation may be valid for crystalline rocks such as granite or basalt, which have very low permeability if macroscopic fractures are excluded. A discrete feature is any entity that can conduct water and permit solute transport through bedrock, and can be reasonably represented as a piecewise-planar conductor. Examples of such entities may include individual natural fractures (joints or faults), fracture zones, and disturbed-zone features around tunnels (e.g. blasting-induced fractures or stress-concentration induced 'onion skin' fractures around underground openings). In a more abstract sense, the effectively discontinuous nature of pathways through fractured crystalline bedrock may be idealized as discrete, equivalent transmissive features that reproduce large-scale observations, even if the details of connective paths (and unconnected domains) are not precisely known. A discrete-feature model explicitly represents the fundamentally discontinuous and irregularly connected nature of systems of such systems, by constraining flow and transport to occur only within such features and their intersections. Pathways for flow and solute transport in this conceptualization are a consequence not just of the boundary conditions and hydrologic properties (as with continuum models), but also the irregularity of connections between conductive/transmissive features. The DFM software package described here is an extensible code for investigating problems of flow and transport in geological (natural or human-altered) systems that can be characterized effectively in terms of discrete features. With this
International Nuclear Information System (INIS)
Viswanathan, H.S.
1995-01-01
The finite element code FEHMN is a three-dimensional finite element heat and mass transport simulator that can handle complex stratigraphy and nonlinear processes such as vadose zone flow, heat flow and solute transport. Scientists at LANL have been developed hydrologic flow and transport models of the Yucca Mountain site using FEHMN. Previous FEHMN simulations have used an equivalent K d model to model solute transport. In this thesis, FEHMN is modified making it possible to simulate the transport of a species with a rigorous chemical model. Including the rigorous chemical equations into FEHMN simulations should provide for more representative transport models for highly reactive chemical species. A fully kinetic formulation is chosen for the FEHMN reactive transport model. Several methods are available to computationally implement a fully kinetic formulation. Different numerical algorithms are investigated in order to optimize computational efficiency and memory requirements of the reactive transport model. The best algorithm of those investigated is then incorporated into FEHMN. The algorithm chosen requires for the user to place strongly coupled species into groups which are then solved for simultaneously using FEHMN. The complete reactive transport model is verified over a wide variety of problems and is shown to be working properly. The simulations demonstrate that gas flow and carbonate chemistry can significantly affect 14 C transport at Yucca Mountain. The simulations also provide that the new capabilities of FEHMN can be used to refine and buttress already existing Yucca Mountain radionuclide transport studies
A variable-order fractal derivative model for anomalous diffusion
Directory of Open Access Journals (Sweden)
Liu Xiaoting
2017-01-01
Full Text Available This paper pays attention to develop a variable-order fractal derivative model for anomalous diffusion. Previous investigations have indicated that the medium structure, fractal dimension or porosity may change with time or space during solute transport processes, results in time or spatial dependent anomalous diffusion phenomena. Hereby, this study makes an attempt to introduce a variable-order fractal derivative diffusion model, in which the index of fractal derivative depends on temporal moment or spatial position, to characterize the above mentioned anomalous diffusion (or transport processes. Compared with other models, the main advantages in description and the physical explanation of new model are explored by numerical simulation. Further discussions on the dissimilitude such as computational efficiency, diffusion behavior and heavy tail phenomena of the new model and variable-order fractional derivative model are also offered.
Soil hydraulic properties near saturation, an improved conductivity model
DEFF Research Database (Denmark)
Børgesen, Christen Duus; Jacobsen, Ole Hørbye; Hansen, Søren
2006-01-01
of commonly used hydraulic conductivity models and give suggestions for improved models. Water retention and near saturated and saturated hydraulic conductivity were measured for a variety of 81 top and subsoils. The hydraulic conductivity models by van Genuchten [van Genuchten, 1980. A closed-form equation...... for predicting the hydraulic conductivity of unsaturated soils. Soil Sci. Soc. Am. J. 44, 892–898.] (vGM) and Brooks and Corey, modified by Jarvis [Jarvis, 1991. MACRO—A Model of Water Movement and Solute Transport in Macroporous Soils. Swedish University of Agricultural Sciences. Department of Soil Sciences....... Optimising a matching factor (k0) improved the fit considerably whereas optimising the l-parameter in the vGM model improved the fit only slightly. The vGM was improved with an empirical scaling function to account for the rapid increase in conductivity near saturation. Using the improved models...
Abrams , Robert H.; Loague, Keith; Kent, Douglas B.
1998-01-01
The work reported here is the first part of a larger effort focused on efficient numerical simulation of redox zone development in contaminated aquifers. The sequential use of various electron acceptors, which is governed by the energy yield of each reaction, gives rise to redox zones. The large difference in energy yields between the various redox reactions leads to systems of equations that are extremely ill-conditioned. These equations are very difficult to solve, especially in the context of coupled fluid flow, solute transport, and geochemical simulations. We have developed a general, rational method to solve such systems where we focus on the dominant reactions, compartmentalizing them in a manner that is analogous to the redox zones that are often observed in the field. The compartmentalized approach allows us to easily solve a complex geochemical system as a function of time and energy yield, laying the foundation for our ongoing work in which we couple the reaction network, for the development of redox zones, to a model of subsurface fluid flow and solute transport. Our method (1) solves the numerical system without evoking a redox parameter, (2) improves the numerical stability of redox systems by choosing which compartment and thus which reaction network to use based upon the concentration ratios of key constituents, (3) simulates the development of redox zones as a function of time without the use of inhibition factors or switching functions, and (4) can reduce the number of transport equations that need to be solved in space and time. We show through the use of various model performance evaluation statistics that the appropriate compartment choice under different geochemical conditions leads to numerical solutions without significant error. The compartmentalized approach described here facilitates the next phase of this effort where we couple the redox zone reaction network to models of fluid flow and solute transport.
Energy Technology Data Exchange (ETDEWEB)
Dixon, K R; Luxmoore, R J; Begovich, C L
1978-06-01
CERES is a forest stand growth model which incorporates sugar transport in order to predict both short-term effects and long-term accumulation of trace contaminants and/or nutrients when coupled with the soil chemistry model (SCHEM), and models of solute uptake (DIFMAS and DRYADS) of the Unified Transport Model, UTM. An important feature of CERES is its ability to interface with the soil--plant--atmosphere water model (PROSPER) as a means of both predicting and studying the effects of plant water status on growth and solute transport. CERES considers the biomass dynamics of plants, standing dead and litter with plants divided into leaves, stems, roots, and fruits. The plant parts are divided further into sugar substrate, storage, and in the case of stems and roots, heartwood components. Each ecosystem omponent is described by a mass balance equation written as a first-order ordinary differential equation.
An open, object-based modeling approach for simulating subsurface heterogeneity
Bennett, J.; Ross, M.; Haslauer, C. P.; Cirpka, O. A.
2017-12-01
Characterization of subsurface heterogeneity with respect to hydraulic and geochemical properties is critical in hydrogeology as their spatial distribution controls groundwater flow and solute transport. Many approaches of characterizing subsurface heterogeneity do not account for well-established geological concepts about the deposition of the aquifer materials; those that do (i.e. process-based methods) often require forcing parameters that are difficult to derive from site observations. We have developed a new method for simulating subsurface heterogeneity that honors concepts of sequence stratigraphy, resolves fine-scale heterogeneity and anisotropy of distributed parameters, and resembles observed sedimentary deposits. The method implements a multi-scale hierarchical facies modeling framework based on architectural element analysis, with larger features composed of smaller sub-units. The Hydrogeological Virtual Reality simulator (HYVR) simulates distributed parameter models using an object-based approach. Input parameters are derived from observations of stratigraphic morphology in sequence type-sections. Simulation outputs can be used for generic simulations of groundwater flow and solute transport, and for the generation of three-dimensional training images needed in applications of multiple-point geostatistics. The HYVR algorithm is flexible and easy to customize. The algorithm was written in the open-source programming language Python, and is intended to form a code base for hydrogeological researchers, as well as a platform that can be further developed to suit investigators' individual needs. This presentation will encompass the conceptual background and computational methods of the HYVR algorithm, the derivation of input parameters from site characterization, and the results of groundwater flow and solute transport simulations in different depositional settings.
A Coupled model for ERT monitoring of contaminated sites
Wang, Yuling; Zhang, Bo; Gong, Shulan; Xu, Ya
2018-02-01
The performance of electrical resistivity tomography (ERT) system is usually investigated using a fixed resistivity distribution model in numerical simulation study. In this paper, a method to construct a time-varying resistivity model by coupling water transport, solute transport and constant current field is proposed for ERT monitoring of contaminated sites. Using the proposed method, a monitoring model is constructed for a contaminated site with a pollution region on the surface and ERT monitoring results at different time is calculated by the finite element method. The results show that ERT monitoring profiles can effectively reflect the increase of the pollution area caused by the diffusion of pollutants, but the extent of the pollution is not exactly the same as the actual situation. The model can be extended to any other case and can be used to scheme design and results analysis for ERT monitoring.
Groundwater flow modelling at the Olkiluoto site, Finland
International Nuclear Information System (INIS)
Loefman, J.
1996-01-01
Preliminary site investigations for spent fuel disposal has been carried out at the Olkiluoto site, Finland. During the investigations high salt concentrations were measured in the groundwater samples deep in the bedrock. In this study, the groundwater flow is analyzed at Olkiluoto taking into account the effects of salinity. The transient simulations are performed by solving coupled and non-linear partial differential equations describing the flow and solute transport. A site-specific simulation model for flow and transport is developed on the basis of the field investigations. The simulations are carried out for a period that started when the highest hills at Olkiluoto rose above sea level. The simulation period continues until the present day. The results of the coupled simulations were strongly dependent on the poorly known initial salinity distribution in the solution domain. The DP approximation together with the EC approximation proved to be a useful complementary approach when simulating solute transport in a fractured rock mass. The simulations also confirm the assumption that the realistic simulation of groundwater flow at Olkiluoto requires taking into account the effects of salinity
3D large-scale calculations using the method of characteristics
International Nuclear Information System (INIS)
Dahmani, M.; Roy, R.; Koclas, J.
2004-01-01
An overview of the computational requirements and the numerical developments made in order to be able to solve 3D large-scale problems using the characteristics method will be presented. To accelerate the MCI solver, efficient acceleration techniques were implemented and parallelization was performed. However, for the very large problems, the size of the tracking file used to store the tracks can still become prohibitive and exceed the capacity of the machine. The new 3D characteristics solver MCG will now be introduced. This methodology is dedicated to solve very large 3D problems (a part or a whole core) without spatial homogenization. In order to eliminate the input/output problems occurring when solving these large problems, we define a new computing scheme that requires more CPU resources than the usual one, based on sweeps over large tracking files. The huge capacity of storage needed in some problems and the related I/O queries needed by the characteristics solver are replaced by on-the-fly recalculation of tracks at each iteration step. Using this technique, large 3D problems are no longer I/O-bound, and distributed CPU resources can be efficiently used. (author)
A Two-Dimensional Unsteady Method of Characteristics Analysis of Fluid Flow Problems - MCDU 43
1975-07-01
N)>ZBN(KtLfHnt .(RBHIK.L+ltMJ-RBHfK.LtN))) ZPR«-(RMA-RBM(KvLtP))*SINtANGLEU .(ZMA-ZBH(KtLtMn*COS(ANGLE) BPp = (PMA-RPMIK,L,M))*CCS(ANr,LFI*(ZMA...INDEX»INOEX+1 IF(INDEX.LT.25)GO TO 1010 WRITE(6,8700)1,J CALL PRINT 101 fAU EXIT lOtn IF(NrnilNT,FO.llGn TH HOO TTFST-l STORF P
Numerical modeling capabilities to predict repository performance
International Nuclear Information System (INIS)
1979-09-01
This report presents a summary of current numerical modeling capabilities that are applicable to the design and performance evaluation of underground repositories for the storage of nuclear waste. The report includes codes that are available in-house, within Golder Associates and Lawrence Livermore Laboratories; as well as those that are generally available within the industry and universities. The first listing of programs are in-house codes in the subject areas of hydrology, solute transport, thermal and mechanical stress analysis, and structural geology. The second listing of programs are divided by subject into the following categories: site selection, structural geology, mine structural design, mine ventilation, hydrology, and mine design/construction/operation. These programs are not specifically designed for use in the design and evaluation of an underground repository for nuclear waste; but several or most of them may be so used
A Simple Model of the Variability of Soil Depths
Directory of Open Access Journals (Sweden)
Fang Yu
2017-06-01
Full Text Available Soil depth tends to vary from a few centimeters to several meters, depending on many natural and environmental factors. We hypothesize that the cumulative effect of these factors on soil depth, which is chiefly dependent on the process of biogeochemical weathering, is particularly affected by soil porewater (i.e., solute transport and infiltration from the land surface. Taking into account evidence for a non-Gaussian distribution of rock weathering rates, we propose a simple mathematical model to describe the relationship between soil depth and infiltration flux. The model was tested using several areas in mostly semi-arid climate zones. The application of this model demonstrates the use of fundamental principles of physics to quantify the coupled effects of the five principal soil-forming factors of Dokuchaev.
Spädtke, P
2013-01-01
Modeling of technical machines became a standard technique since computer became powerful enough to handle the amount of data relevant to the specific system. Simulation of an existing physical device requires the knowledge of all relevant quantities. Electric fields given by the surrounding boundary as well as magnetic fields caused by coils or permanent magnets have to be known. Internal sources for both fields are sometimes taken into account, such as space charge forces or the internal magnetic field of a moving bunch of charged particles. Used solver routines are briefly described and some bench-marking is shown to estimate necessary computing times for different problems. Different types of charged particle sources will be shown together with a suitable model to describe the physical model. Electron guns are covered as well as different ion sources (volume ion sources, laser ion sources, Penning ion sources, electron resonance ion sources, and H$^-$-sources) together with some remarks on beam transport.
A discussion on validation of hydrogeological models
International Nuclear Information System (INIS)
Carrera, J.; Mousavi, S.F.; Usunoff, E.J.; Sanchez-Vila, X.; Galarza, G.
1993-01-01
Groundwater flow and solute transport are often driven by heterogeneities that elude easy identification. It is also difficult to select and describe the physico-chemical processes controlling solute behaviour. As a result, definition of a conceptual model involves numerous assumptions both on the selection of processes and on the representation of their spatial variability. Validating a numerical model by comparing its predictions with actual measurements may not be sufficient for evaluating whether or not it provides a good representation of 'reality'. Predictions will be close to measurements, regardless of model validity, if these are taken from experiments that stress well-calibrated model modes. On the other hand, predictions will be far from measurements when model parameters are very uncertain, even if the model is indeed a very good representation of the real system. Hence, we contend that 'classical' validation of hydrogeological models is not possible. Rather, models should be viewed as theories about the real system. We propose to follow a rigorous modeling approach in which different sources of uncertainty are explicitly recognized. The application of one such approach is illustrated by modeling a laboratory uranium tracer test performed on fresh granite, which was used as Test Case 1b in INTRAVAL. (author)
Directory of Open Access Journals (Sweden)
Arnaud Sterckx
2017-01-01
Full Text Available The specific impact of glacial processes on groundwater flow and solute transport under ice-sheets was determined by means of numerical simulations. Groundwater flow and the transport of δ18O, TDS, and groundwater age were simulated in a generic sedimentary basin during a single glacial event followed by a postglacial period. Results show that simulating subglacial recharge with a fixed flux boundary condition is relevant only for small fluxes, which could be the case under partially wet-based ice-sheets. Glacial loading decreases overpressures, which appear only in thick and low hydraulic diffusivity layers. If subglacial recharge is low, glacial loading can lead to underpressures after the retreat of the ice-sheet. Isostasy reduces considerably the infiltration of meltwater and the groundwater flow rates. Below permafrost, groundwater flow is reduced under the ice-sheet but is enhanced beyond the ice-sheet front. Accounting for salinity-dependent density reduces the infiltration of meltwater at depth. This study shows that each glacial process is potentially relevant in models of subglacial groundwater flow and solute transport. It provides a good basis for building and interpreting such models in the future.
International Nuclear Information System (INIS)
Viswanathan, H.S.
1996-08-01
The finite element code FEHMN, developed by scientists at Los Alamos National Laboratory (LANL), is a three-dimensional finite element heat and mass transport simulator that can handle complex stratigraphy and nonlinear processes such as vadose zone flow, heat flow and solute transport. Scientists at LANL have been developing hydrologic flow and transport models of the Yucca Mountain site using FEHMN. Previous FEHMN simulations have used an equivalent Kd model to model solute transport. In this thesis, FEHMN is modified making it possible to simulate the transport of a species with a rigorous chemical model. Including the rigorous chemical equations into FEHMN simulations should provide for more representative transport models for highly reactive chemical species. A fully kinetic formulation is chosen for the FEHMN reactive transport model. Several methods are available to computationally implement a fully kinetic formulation. Different numerical algorithms are investigated in order to optimize computational efficiency and memory requirements of the reactive transport model. The best algorithm of those investigated is then incorporated into FEHMN. The algorithm chosen requires for the user to place strongly coupled species into groups which are then solved for simultaneously using FEHMN. The complete reactive transport model is verified over a wide variety of problems and is shown to be working properly. The new chemical capabilities of FEHMN are illustrated by using Los Alamos National Laboratory's site scale model of Yucca Mountain to model two-dimensional, vadose zone 14 C transport. The simulations demonstrate that gas flow and carbonate chemistry can significantly affect 14 C transport at Yucca Mountain. The simulations also prove that the new capabilities of FEHMN can be used to refine and buttress already existing Yucca Mountain radionuclide transport studies
Cousquer, Yohann; Pryet, Alexandre; Atteia, Olivier; Ferré, Ty P. A.; Delbart, Célestine; Valois, Rémi; Dupuy, Alain
2018-03-01
The inverse problem of groundwater models is often ill-posed and model parameters are likely to be poorly constrained. Identifiability is improved if diverse data types are used for parameter estimation. However, some models, including detailed solute transport models, are further limited by prohibitive computation times. This often precludes the use of concentration data for parameter estimation, even if those data are available. In the case of surface water-groundwater (SW-GW) models, concentration data can provide SW-GW mixing ratios, which efficiently constrain the estimate of exchange flow, but are rarely used. We propose to reduce computational limits by simulating SW-GW exchange at a sink (well or drain) based on particle tracking under steady state flow conditions. Particle tracking is used to simulate advective transport. A comparison between the particle tracking surrogate model and an advective-dispersive model shows that dispersion can often be neglected when the mixing ratio is computed for a sink, allowing for use of the particle tracking surrogate model. The surrogate model was implemented to solve the inverse problem for a real SW-GW transport problem with heads and concentrations combined in a weighted hybrid objective function. The resulting inversion showed markedly reduced uncertainty in the transmissivity field compared to calibration on head data alone.
International Nuclear Information System (INIS)
Le Tellier, R.; Hebert, A.
2005-01-01
In this paper, we present the usage of the method of characteristics (MOC) with advanced self-shielding models for a fundamental lattice calculation on an ACR-type cell i.e. a cluster geometry with light water coolant and heavy water moderator. Comparison with the collision probability method (CP) show the consistency of the method of characteristics as implemented both in flux and self-shielding calculations. Acceleration techniques are tested in the different calculations and prove to be efficient. Comparisons with the Monte-Carlo code Tripoli4 show the advantage of a subgroup approach for self-shielding calculations : the difference in k eff is less than one standard deviation of the Tripoli4 calculation and in terms of total absorption rates, in the resolved resonances group, the maximum relative error is of the order of 3% localised in the most outer region of the central pin. (author)
Energy Technology Data Exchange (ETDEWEB)
Zheng, L.; Samper, J.; Montenegro, L.; Fernandez, A.M.
2010-05-01
Unsaturated compacted bentonite is foreseen by several countries as a backfill and sealing material in high-level radioactive waste repositories. The strong interplays between thermal (T), hydrodynamic (H), mechanical (M) and chemical (C) processes during the hydration stage of a repository call for fully coupled THMC models. Validation of such THMC models is prevented by the lack of comprehensive THMC experiments and the difficulties of experimental methods to measure accurately the chemical composition of bentonite porewater. We present here a non-isothermal multiphase flow and multicomponent reactive solute transport model for a deformable medium of a heating and hydration experiment performed on a sample of compacted FEBEX bentonite. Besides standard solute transport and geochemical processes, the model accounts for solute cross diffusion and thermal and chemical osmosis. Bentonite swelling is solved with a state-surface approach. The THM model is calibrated with transient temperature, water content and porosity data measured at the end of the experiment. The reactive transport model is calibrated with porewater chemical data derived from aqueous extract data. Model results confirm that thermal osmosis is relevant for the hydration of FEBEX bentonite while chemical osmosis can be safely neglected. Dilution and evaporation are the main processes controlling the concentration of conservative species. Dissolved cations are mostly affected by calcite dissolution-precipitation and cation exchange reactions. Dissolved sulphate is controlled by gypsum/anhydrite dissolution-precipitation. pH is mostly buffered by protonation/deprotonation via surface complexation. Computed concentrations agree well with inferred aqueous extract data at all sections except near the hydration boundary where cation data are affected by a sampling artifact. The fit of Cl{sup -} data is excellent except for the data near the heater. The largest deviations of the model from inferred aqueous
DEFF Research Database (Denmark)
Kessler, Adam J.; Glud, Ronnie N.; Cardenas, M. Bayani
2012-01-01
We measured denitrification in permeable sediments in a sealed flume tank with environmentally representative fluid flow and solute transport behavior using novel measurements. Numerical flow and reactive transport models representing the flume experiments were implemented to provide mechanistic...... insight into the coupled hydrodynamic and biogeochemical processes. There was broad agreement between the model results and experimental data. The model showed that the coupling between nitrification and denitrification was relatively weak in comparison to that in cohesive sediments. This was due...... of permeable sediments with nonmigratory ripples to remove bioavailable nitrogen from coastal ecosystems is lower than that of cohesive sediments. We conclude that while experimental measurements provide a good starting point for constraining key parameters, reactive transport models with realistic kinetic...
DEFF Research Database (Denmark)
Yuan, Hao; Sin, Gürkan
2011-01-01
Uncertainty and sensitivity analyses are carried out to investigate the predictive accuracy of the filtration models for describing non-Fickian transport and hyperexponential deposition. Five different modeling approaches, involving the elliptic equation with different types of distributed...... filtration coefficients and the CTRW equation expressed in Laplace space, are selected to simulate eight experiments. These experiments involve both porous media and colloid-medium interactions of different heterogeneity degrees. The uncertainty of elliptic equation predictions with distributed filtration...... coefficients is larger than that with a single filtration coefficient. The uncertainties of model predictions from the elliptic equation and CTRW equation in Laplace space are minimal for solute transport. Higher uncertainties of parameter estimation and model outputs are observed in the cases with the porous...
International Nuclear Information System (INIS)
Chen, C.S.; Yates, S.R.
1989-01-01
In dealing with problems related to land-based nuclear waste management, a number of analytical and approximate solutions were developed to quantify radionuclide transport through fractures contained in the porous formation. It has been reported that by treating the radioactive decay constant as the appropriate first-order rate constant, these solutions can also be used to study injection problems of a similar nature subject to first-order chemical or biological reactions. The fracture is idealized by a pair of parallel, smooth plates separated by an aperture of constant thickness. Groundwater was assumed to be immobile in the underlying and overlying porous formations due to their low permeabilities. However, the injected radionuclides were able to move from the fracture into the porous matrix by molecular diffusion (the matrix diffusion) due to possible concentration gradients across the interface between the fracture and the porous matrix. Calculation of the transient solutions is not straightforward, and the paper documents a contained Fortran program, which computes the Stehfest inversion, the Airy functions, and gives the concentration distributions in the fracture as well as in the porous matrix for both transient and steady-state cases
Solute Transport from Aqueous Mixture through Supported Ionic Liquid Membrane by Pervaporation.
Czech Academy of Sciences Publication Activity Database
Izák, Pavel; Koekerling, M.; Kragl, U.
2006-01-01
Roč. 199, 1-3 (2006) , s. 96–98 ISSN 0011-9164. [Euromembrane 2006. Giardini, Naxos, 24.09.2006-28.09.2006] Institutional research plan: CEZ:AV0Z40720504 Keywords : supported ionic liquid membrane * pervaporation * 1,3-propanediol Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 0.917, year: 2006
DEFF Research Database (Denmark)
Bruun, Jacob Druedahl
2016-01-01
Kvælstofudvaskning fra landbrugsjord til overfladevand fører til eutrofiering og dermed en forringelse af vandkvaliteten, samt tab af biodiversitet. Underjordiske dræn leder nitratrigt drænvand direkte og hurtigt til overfladevand, hvilket resulterer i en ineffektiv rensningseffektivitet som eksi...
Directory of Open Access Journals (Sweden)
Sandra M.W. van de Wiel
2018-01-01
Conclusions: This study identifies clofazimine as an inhibitor of OSTα-OSTβ in vitro and in vivo, validates OSTα-OSTβ as a drug target to enhance intestinal bile acid signaling, and confirmed the applicability of the Förster Resonance Energy Transfer–bile acid sensor to screen for inhibitors of bile acid efflux pathways.
International Nuclear Information System (INIS)
Rehfeldt, K.
1984-09-01
The Waste Isolation Pilot Plant (WIPP) is a U.S. Department of Energy facility for demonstrating the disposal of defense transuranic (TRU) radioactive waste. The WIPP is located approximately 26 miles east of Carlsbad, New Mexico. It lies in the northern part of the Delaware Basin, an oval shaped sedimentary trough nearly surrounded by the Capitan reef. The basin is composed primarily of a thick sequence of evaporites with overlying clastic sedimentary rocks. The major formations of interest in the Delaware Basin at the WIPP site consist, in stratigraphially ascending order, the Castile, Salado, and Rustler Formations and the Dewey Lake Redbeds. The Castile Formation is the basal unit in the evaporite sequence and consists of thick layers of anhydrite and halite. The Castile has been termed anhydrite-rich and is differentiated on this basis from the overlying halite-rich Salado Formation. 23 refs., 11 figs., 7 tabs
Large time behaviour of oscillatory nonlinear solute transport in porous media
Duijn, van C.J.; Zee, van der S.E.A.T.M.
2018-01-01
Oscillations in flow occur under many different situations in natural porous media, due to tidal, daily or seasonal patterns. In this paper, we investigate how such oscillations in flow affect the transport of an initially sharp solute front, if the solute undergoes nonlinear sorption and,
Application of radioanalytical methods in the quantification of solute transport in plants
International Nuclear Information System (INIS)
Hornik, M.
2016-01-01
The present habilitation thesis is elaborated as a compilation of published scientific papers supplemented with a commentary. The primary objective of the work was to bring the results and knowledge applicable to the further development of application possibilities of nuclear analytical chemistry, especially in the field of radioindication methods and application of positron emitters in connection with the positron emission tomography (PET) as well. In the work, these methods and techniques are developed mainly in the context of the solution of environmental issues related to the analysis and remediation of contaminated or degraded environment (water and soil), but also partially in the field of plant production or plant research. In terms of the achieved results and knowledge, the work is divided into three separated sections. The first part is dedicated to the application of radioindication methods, as well as others, non-radioanalytical methods and approaches in the characterization of plant biomass (biomass of terrestrial and aquatic mosses, and waste plant biomass) as alternative sorbents served to the separation and removal of (radio)toxic metals from contaminated or waste waters, as well as in the quantification and description of the sorption processes proceed under conditions of batch or continuous flow systems. The second part describes the results concerning on the quantification and visual description of the processes of (radio)toxic metals and microelements uptake and translocation in plant tissues using radioisotopes (β- and γ-emitters) of these metals and application of the methods of direct gamma spectrometry and autoradiography as well. The main aim of these experiments was to evaluate the possibilities of utilization of selected plant species in phytoremediation of contaminated soils and waters, as well as the possibilities affecting the effectiveness of uptake and translocation of these metals in the plant tissues mainly in dependence on their chemical speciation. The last studied issue was PET as a very promising radioanalytical method in terms of the application and analytical capabilities of a commercial microPET system primarily developed for biological objects of the type of laboratory animals, and 2-deoxy-2-fluoro-D-glucose labelled with positron emitter "1"8F (2-["1"8F]FDG) or radioisotope "6"5ZnCl_2 (with the minority of β"+ decay - 1.5 %) for the quantification of distribution and description of in vivo dynamics of 2-["1"8F]FDG or Zn uptake and transport in the tissues of selected plant species. (author)
Silliman, S. E.; Zheng, L.; Conwell, P.
Laboratory experiments on heterogeneous porous media (otherwise known as intermediate scale experiments, or ISEs) have been increasingly relied upon by hydrogeologists for the study of saturated and unsaturated groundwater systems. Among the many ongoing applications of ISEs is the study of fluid flow and the transport of conservative solutes in correlated permeability fields. Recent advances in ISE design have provided the capability of creating correlated permeability fields in the laboratory. This capability is important in the application of ISEs for the assessment of recent stochastic theories. In addition, pressure-transducer technology and visualization methods have provided the potential for ISEs to be used in characterizing the spatial distributions of both hydraulic head and local water velocity within correlated permeability fields. Finally, various methods are available for characterizing temporal variations in the spatial distribution (and, thereby, the spatial moments) of solute concentrations within ISEs. It is concluded, therefore, that recent developments in experimental techniques have provided an opportunity to use ISEs as important tools in the continuing study of fluid flow and the transport of conservative solutes in heterogeneous, saturated porous media. Résumé Les hydrogéologues se sont progressivement appuyés sur des expériences de laboratoire sur des milieux poreux hétérogènes (connus aussi par l'expression "Expériences àéchelle intermédiaire", ISE) pour étudier les zones saturées et non saturées des aquifères. Parmi les nombreuses applications en cours des ISE, il faut noter l'étude de l'écoulement de fluide et le transport de solutés conservatifs dans des champs aux perméabilités corrélées. Les récents progrès du protocole des ISE ont donné la possibilité de créer des champs de perméabilités corrélées au laboratoire. Cette possibilité est importante dans l'application des ISE pour l'évaluation des théories stochastiques récentes. En outre, la technologie des capteurs de pression et les méthodes de visualisation donnent la possibilité d'utiliser les ISE pour caractériser les distributions spatiales à la fois de la piézométrie et de la vitesse locale de l'eau dans un champs de perméabilités corrélées. Finalement, des méthodes variées peuvent être utilisées pour caractériser les variations temporelles de la distribution spatiale (et, par conséquent, les moments spatiaux) des concentrations de soluté dans les ISE. En conclusion, donc, des développements récents des techniques expérimentales ont fourni l'occasion d'utiliser les ISE comme d'importants outils d'étude en continu des écoulement de fluides et de transport de solutés conservatifs dans des milieux poreux saturés hétérogènes. Resumen Los experimentos de laboratorio en medio poroso heterogéneo (conocidos como Experimentos a Escala Intermedia o ISE) están cada vez mejor considerados para el estudio de los sistemas saturados y no saturados. Entre las muchas aplicaciones de los ISE se encuentra el estudio del flujo y el transporte de solutos conservativos en medios con permeabilidad que presentan una cierta estructura de correlación. Avances recientes en el diseño de los ISE han proporcionado la capacidad de crear medios de este tipo en el laboratorio. Esta capacidad es importante para la aplicación de los ISE a la evaluación de las teorías estocásticas recientes. Además, la tecnología de los transductores de presión y los métodos de visualización han permitido que los ISE se usen para caracterizar la distribución espacial de niveles hidráulicos y de las velocidades locales del agua en campos de permeabilidad con determinada correlación espacial. Finalmente, existen varios métodos para caracterizar las variaciones temporales en la distribución espacial (y por tanto los momentos estadísticos espaciales) de la concentración de solutos en los ISE. Se concluye que los desarrollos recientes en las técnicas experimentales han proporcionado una oportunidad para usar los ISE como herramientas fundamentales en el estudio del flujo y transporte de solutos conservativos en medio poroso heterogéneo y saturado.
Ohlsson, Gabriel; Tabaei, Seyed R; Beech, Jason; Kvassman, Jan; Johanson, Urban; Kjellbom, Per; Tegenfeldt, Jonas O; Höök, Fredrik
2012-11-21
Screening assays designed to probe ligand and drug-candidate regulation of membrane proteins responsible for ion-translocation across the cell membrane are wide spread, while efficient means to screen membrane-protein facilitated transport of uncharged solutes are sparse. We report on a microfluidic-based system to monitor transport of uncharged solutes across the membrane of multiple (>100) individually resolved surface-immobilized liposomes. This was accomplished by rapidly switching (solution above dye-containing liposomes immobilized on the floor of a microfluidic channel. With liposomes encapsulating the pH-sensitive dye carboxyfluorescein (CF), internal changes in pH induced by transport of a weak acid (acetic acid) could be measured at time scales down to 25 ms. The applicability of the set up to study biological transport reactions was demonstrated by examining the osmotic water permeability of human aquaporin (AQP5) reconstituted in proteoliposomes. In this case, the rate of osmotic-induced volume changes of individual proteoliposomes was time resolved by imaging the self quenching of encapsulated calcein in response to an osmotic gradient. Single-liposome analysis of both pure and AQP5-containing liposomes revealed a relatively large heterogeneity in osmotic permeability. Still, in the case of AQP5-containing liposomes, the single liposome data suggest that the membrane-protein incorporation efficiency depends on liposome size, with higher incorporation efficiency for larger liposomes. The benefit of low sample consumption and automated liquid handling is discussed in terms of pharmaceutical screening applications.
Demonstrations in Solute Transport Using Dyes: Part I. Procedures and Results.
Butters, Greg; Bandaranayake, Wije
1993-01-01
Presents the general theory to explain chemical movement in soil. Describes classroom demonstrations with visually stimulating results that show the effects of soil structure, soil texture, soil pH, and soluble organic matter on that movement. (MDH)
Solute transport during the cyclic oxidation of Ni-Cr-Al alloys. M.S. Thesis
Nesbitt, J. A.
1982-01-01
Important requirements for protective coatings of Ni-Cr-Al alloys for gas turbine superalloys are resistance to oxidation accompanied by thermal cycling, resistance to thermal fatigue cracking. The resistance to oxidation accompanied by thermal cycling is discussed. The resistance to thermal fatigue cracking is also considered.
Holter, Karl Erik; Kehlet, Benjamin; Devor, Anna; Sejnowski, Terrence J; Dale, Anders M; Omholt, Stig W; Ottersen, Ole Petter; Nagelhus, Erlend Arnulf; Mardal, Kent-André; Pettersen, Klas H
2017-09-12
The brain lacks lymph vessels and must rely on other mechanisms for clearance of waste products, including amyloid [Formula: see text] that may form pathological aggregates if not effectively cleared. It has been proposed that flow of interstitial fluid through the brain's interstitial space provides a mechanism for waste clearance. Here we compute the permeability and simulate pressure-mediated bulk flow through 3D electron microscope (EM) reconstructions of interstitial space. The space was divided into sheets (i.e., space between two parallel membranes) and tunnels (where three or more membranes meet). Simulation results indicate that even for larger extracellular volume fractions than what is reported for sleep and for geometries with a high tunnel volume fraction, the permeability was too low to allow for any substantial bulk flow at physiological hydrostatic pressure gradients. For two different geometries with the same extracellular volume fraction the geometry with the most tunnel volume had [Formula: see text] higher permeability, but the bulk flow was still insignificant. These simulation results suggest that even large molecule solutes would be more easily cleared from the brain interstitium by diffusion than by bulk flow. Thus, diffusion within the interstitial space combined with advection along vessels is likely to substitute for the lymphatic drainage system in other organs.
Direct interaction between linear electron transfer chains and solute transport systems in bacteria
Elferink, Marieke G.L.; Hellingwerf, Klaas J.; Belkum, Marco J. van; Poolman, Bert; Konings, Wil N.
1984-01-01
In studies on alanine and lactose transport in Rhodopseudomonas sphaeroides we have demonstrated that the rate of solute uptake in this phototrophic bacterium is regulated by the rate of light-induced cyclic electron transfer. In the present paper the interaction between linear electron transfer
Compilation of field-scale caisson data on solute transport in the unsaturated zone
International Nuclear Information System (INIS)
Polzer, W.L.; Essington, E.H.; Fuentes, H.R.; Nyhan, J.W.
1986-11-01
Los Alamos National Laboratory has conducted technical support studies to assess siting requirements mandated by Nuclear Regulatory Commission in 10 CFR Part 61. Field-scale transport studies were conducted under unsaturated moisture conditions and under steady and unsteady flow conditions in large caissons located and operated in a natural (field) environment. Moisture content, temperature, flow rate, base-line chemical, tracer influent, and tracer breakthrough data collected during tracer migration studies in the caisson are compiled in tables and graphs. Data suggest that the imposition of a period of drainage (influent solution flow was stopped) may cause an increase in tracer concentration in the soil solution at various sampling points in the caisson. Evaporation during drainage and diffusion of the tracers from immobile to mobile water are two phenomena that could explain the increase. Data also suggest that heterogeneity of sorption sites may increase the variability in transport of sorbing tracers compared with nonsorbing tracers
Energy Technology Data Exchange (ETDEWEB)
Tanabe, Mikio; Nimigean, Crina M.; Iverson, T.M. (Weill-Med); (Vanderbilt)
2010-06-25
PorB is the second most prevalent outer membrane protein in Neisseria meningitidis. PorB is required for neisserial pathogenesis and can elicit a Toll-like receptor mediated host immune response. Here, the x-ray crystal structure of PorB has been determined to 2.3 {angstrom} resolution. Structural analysis and cocrystallization studies identify three putative solute translocation pathways through the channel pore: One pathway transports anions nonselectively, one transports cations nonselectively, and one facilitates the specific uptake of sugars. During infection, PorB likely binds host mitochondrial ATP, and cocrystallization with the ATP analog AMP-PNP suggests that binding of nucleotides regulates these translocation pathways both by partial occlusion of the pore and by restricting the motion of a putative voltage gating loop. PorB is located on the surface of N. meningitidis and can be recognized by receptors of the host innate immune system. Features of PorB suggest that Toll-like receptor mediated recognition outer membrane proteins may be initiated with a nonspecific electrostatic attraction.
Korteland, S.
2013-01-01
The shallow subsurface is an important zone from a social, economical, and environmental point of view. The increased use of the shallow subsurface together with the call for its protection and sustainable exploitation have increased the need for tools to monitor and characterize the subsurface, as
Mudie, Deanna M; Shi, Yi; Ping, Haili; Gao, Ping; Amidon, Gordon L; Amidon, Gregory E
2012-10-01
In vitro dissolution methodologies that adequately capture the oral bioperformance of solid dosage forms are critical tools needed to aid formulation development. Such methodologies must encompass important physiological parameters and be designed with drug properties in mind. Two-phase dissolution apparatuses, which contain an aqueous phase in which the drug dissolves (representing the dissolution/solubility component) and an organic phase into which the drug partitions (representing the absorption component), have the potential to provide meaningful predictions of in vivo oral bioperformance for some BCS II, and possibly some BCS IV drug products. Before such an apparatus can be evaluated properly, it is important to understand the kinetics of drug substance partitioning from the aqueous to the organic medium. A mass transport analysis was performed of the kinetics of partitioning of drug substance solutions from the aqueous to the organic phase of a two-phase dissolution apparatus. Major assumptions include pseudo-steady-state conditions, a dilute aqueous solution and diffusion-controlled transport. Input parameters can be measured or estimated a priori. This paper presents the theory and derivation of our analysis, compares it with a recent kinetic approach, and demonstrates its effectiveness in predicting in vitro partitioning profiles of three BCS II weak acids in four different in vitro two-phase dissolution apparatuses. Very importantly, the paper discusses how a two-phase apparatus can be scaled to reflect in vivo absorption kinetics and for which drug substances the two-phase dissolution systems may be appropriate tools for measuring oral bioperformance. Copyright © 2012 John Wiley & Sons, Ltd.
Temporal and spatial moments for solute transport in heterogeneous porous media
International Nuclear Information System (INIS)
Naff, R.L.
1990-01-01
Variation in the velocity field results in dispersion of a tracer cloud relative to the mean advective transport of the tracer. A major cause of variation in the velocity field is variation in the hydraulic conductivity field in clastic aquifers is stratification, whereby the rate of change in the hydraulic conductivity is much greater in the vertical direction than in the horizontal direction. Dispersion, under these circumstances, is not governed strictly by a Fickian flux, but by a more complicated integral expression involving the gradient of the mean concentration. Because a pulse input of conservative tracer is assumed in the investigations summarized in this paper, it is possible to derive both spatial and temporal moments; these moments are compared with those from a classical Fickian flux where a macrodispersivity has been adopted. By numerical Laplace inversion, it also is possible to obtain concentration profiles of the mean tracer as it moves downgradient through an imperfectly stratified aquifer. These results generally indicate that a classical Fickian flux provides a good simulation of the mean concentration after the center of mass of the cloud has moved at least 20 length scales from the point of injection. (Author) (10 refs., 2 tabs., 10 figs.)
A Finite-Difference Solution of Solute Transport through a Membrane Bioreactor
Directory of Open Access Journals (Sweden)
B. Godongwana
2015-01-01
Full Text Available The current paper presents a theoretical analysis of the transport of solutes through a fixed-film membrane bioreactor (MBR, immobilised with an active biocatalyst. The dimensionless convection-diffusion equation with variable coefficients was solved analytically and numerically for concentration profiles of the solutes through the MBR. The analytical solution makes use of regular perturbation and accounts for radial convective flow as well as axial diffusion of the substrate species. The Michaelis-Menten (or Monod rate equation was assumed for the sink term, and the perturbation was extended up to second-order. In the analytical solution only the first-order limit of the Michaelis-Menten equation was considered; hence the linearized equation was solved. In the numerical solution, however, this restriction was lifted. The solution of the nonlinear, elliptic, partial differential equation was based on an implicit finite-difference method (FDM. An upwind scheme was employed for numerical stability. The resulting algebraic equations were solved simultaneously using the multivariate Newton-Raphson iteration method. The solution allows for the evaluation of the effect on the concentration profiles of (i the radial and axial convective velocity, (ii the convective mass transfer rates, (iii the reaction rates, (iv the fraction retentate, and (v the aspect ratio.
Unsaturated water flow and tracer transport modeling with Alliances
Energy Technology Data Exchange (ETDEWEB)
Constantin, Alina, E-mail: alina.constantin@nuclear.ro [Institute for Nuclear Research, Campului Str, No. 1, PO Box 78, Postal Code 115400 Mioveni, Arges County (Romania); Genty, Alain, E-mail: alain.genty@cea.fr [CEA Saclay, DM2S/SFME/LSE, Gif-sur-Yvette 91191 cedex (France); Diaconu, Daniela; Bucur, Crina [Institute for Nuclear Research, Campului Str, No. 1, PO Box 78, Postal Code 115400 Mioveni, Arges County (Romania)
2013-12-15
Highlights: • Simulation of water flow and solute transport at Saligny site, Romania was done. • Computation was based on the available experimental data with Alliances platform. • Very good results were obtained for the saturation profile in steady state. • Close fit to experimental data for saturation profile at 3 m in transient state. • Large dispersivity coefficients were fitted to match tracer experiment. - Abstract: Understanding water flow and solute transport in porous media is of central importance in predicting the radionuclide fate in the geological environment, a topic of interest for the performance and safety assessment studies for nuclear waste disposal. However, it is not easy to predict transport properties in real systems because they are geologically heterogeneous from the pore scale upwards. This paper addresses the simulation of water flow and solute transport in the unsaturated zone of the Saligny site, the potential location for the Romanian low and intermediate level waste (LILW) disposal. Computation was based on the current available experimental data for this zone and was performed within Alliances, a software platform initially jointly developed by French organizations CEA, ANDRA and EDF. The output of the model developed was compared with the measured values in terms of saturation profile of the soil for water movement, in both steady and transient state. Very good results were obtained for the saturation profile in steady state and a close fit of the simulation over experimental data for the water saturation profile at a depth of 3 m in transient state. In order to obtain information regarding the solute migration in depth and the solute lateral dispersion, a tracer test was launched on site and dispersivity coefficients of the solute were fitted in order to match the experimental concentration determined on samples from different locations of the site. Results much close to the experiment were obtained for a longitudinal
Zegers Risopatron, G., Sr.; Navarro, L.; Montserrat, S., Sr.; McPhee, J. P.; Niño, Y.
2017-12-01
The geochemistry of water and sediments, coupled with hydrodynamic transport in mountainous channels, is of particular interest in central Chilean Andes due to natural occurrence of acid waters. In this paper, we present a coupled transport and geochemical model to estimate and understand transport processes and fate of minerals at the Yerba Loca Basin, located near Santiago, Chile. In the upper zone, water presentes low pH ( 3) and high concentrations of iron, aluminum, copper, manganese and zinc. Acidity and minerals are the consequence of water-rock interactions in hydrothermal alteration zones, rich in sulphides and sulphates, covered by seasonal snow and glaciers. Downstream, as a consequence of neutral to alkaline lateral water contributions (pH >7) along the river, pH increases and concentration of solutes decreases. The mineral transport model has three components: (i) a hydrodynamic model, where we use HEC-RAS to solve 1D Saint-Venant equations, (ii) a sediment transport model to estimate erosion and sedimentation rates, which quantify minerals transference between water and riverbed and (iii) a solute transport model, based on the 1D OTIS model which takes into account the temporal delay in solutes transport that typically is observed in natural channels (transient storage). Hydrochemistry is solved using PHREEQC, a software for speciation and batch reaction. Our results show that correlation between mineral precipitation and dissolution according to pH values changes along the river. Based on pH measurements (and according to literature) we inferred that main minerals in the water system are brochantite, ferrihydrite, hydrobasaluminite and schwertmannite. Results show that our model can predict the transport and fate of minerals and metals in the Yerba Loca Basin. Mineral dissolution and precipitation process occur for limited ranges of pH values. When pH values are increased, iron minerals (schwertmannite) are the first to precipitate ( 2.5
DEFF Research Database (Denmark)
Doltra, Jordi; Nuñoz, P
2010-01-01
to a higher nitrate concentration in percolated water. Comparison of the observed and predicted yield response to N applications with EU-Rotate_N demonstrated that the best fertigation strategy could be identified and the risk of nitrate leaching quantified with this model. The results showed......Two different modeling approaches were used to simulate the N leached during an intensively fertigated crop rotation: a recently developed crop-based simulation model (EU-Rotate_N) and a widely recognized solute transport model (Hydrus-2D). Model performance was evaluated using data from...... an experiment where four N fertigation levels were applied to a bell pepper-cauliflower-Swiss chard rotation in a sandy loam soil. All the input data were obtained from measurements, transfer functions or were included in the model databases. Model runs were without specific site calibration. The use of soil...
Transport properties site descriptive model. Guidelines for evaluation and modelling
International Nuclear Information System (INIS)
Berglund, Sten; Selroos, Jan-Olof
2004-04-01
transport properties, and hence the guidelines in this report, involve two main categories of parameters: Parameters that characterise the retention properties of geologic materials. These parameters quantify the diffusion and sorption properties of intact and altered rock, fracture coatings and fracture-filling materials, and are described within the framework of the 3D geometric models devised by Geology. Parameters that characterise solute transport along flow paths (flow-related transport parameters). These parameters include the 'F-parameter' and 'water travel time', tw, and parameters that account for spatial variability in diffusion and sorption. The flow-related parameters are obtained by means of particle tracking simulations in groundwater flow models
Generation of Complex Karstic Conduit Networks with a Hydro-chemical Model
De Rooij, R.; Graham, W. D.
2016-12-01
The discrete-continuum approach is very well suited to simulate flow and solute transport within karst aquifers. Using this approach, discrete one-dimensional conduits are embedded within a three-dimensional continuum representative of the porous limestone matrix. Typically, however, little is known about the geometry of the karstic conduit network. As such the discrete-continuum approach is rarely used for practical applications. It may be argued, however, that the uncertainty associated with the geometry of the network could be handled by modeling an ensemble of possible karst conduit networks within a stochastic framework. We propose to generate stochastically realistic karst conduit networks by simulating the widening of conduits as caused by the dissolution of limestone over geological relevant timescales. We illustrate that advanced numerical techniques permit to solve the non-linear and coupled hydro-chemical processes efficiently, such that relatively large and complex networks can be generated in acceptable time frames. Instead of specifying flow boundary conditions on conduit cells to recharge the network as is typically done in classical speleogenesis models, we specify an effective rainfall rate over the land surface and let model physics determine the amount of water entering the network. This is advantageous since the amount of water entering the network is extremely difficult to reconstruct, whereas the effective rainfall rate may be quantified using paleoclimatic data. Furthermore, we show that poorly known flow conditions may be constrained by requiring a realistic flow field. Using our speleogenesis model we have investigated factors that influence the geometry of simulated conduit networks. We illustrate that our model generates typical branchwork, network and anastomotic conduit systems. Flow, solute transport and water ages in karst aquifers are simulated using a few illustrative networks.
User manual of the multicompenent variably - saturated flow and transport model HP1
International Nuclear Information System (INIS)
Jacques, D.; Simunek, J.
2005-06-01
This report describes a new comprehensive simulation tool HP1 (HYDRUS1D-PHREEQC) that was obtained by coupling the HYDRUS-1D one-dimensional variably-saturated water flow and solute transport model with the PHREEQC geochemical code. The HP1 code incorporates modules simulating (1) transient water flow in variably-saturated media, (2) transport of multiple components, and (3) mixed equilibrium/kinetic geochemical reactions. The program numerically solves the Richards equation for variably-saturated water flow and advection-dispersion type equations for heat and solute transport. The flow equation incorporates a sink term to account for water uptake by plant roots. The heat transport equation considers transport due to conduction and convection with flowing water. The solute transport equations consider advective-dispersive transport in the liquid phase. The program can simulate a broad range of low-temperature biogeochemical reactions in water, soil and ground water systems including interactions with minerals, gases, exchangers, and sorption surfaces, based on thermodynamic equilibrium, kinetics, or mixed equilibrium-kinetic reactions. The program may be used to analyze water and solute movement in unsaturated, partially saturated, or fully saturated porous media. The flow region may be composed of nonuniform soils or sediments. Flow and transport can occur in the vertical, horizontal, or a generally inclined direction. The water flow part of the model can deal with prescribed head and flux boundaries, boundaries controlled by atmospheric conditions, as well as free drainage boundary conditions. The governing flow and transport equations were solved numerically using Galerkin-type linear finite element schemes. To test the accuracy of the coupling procedures implemented in HP1, simulation results were compared with (i) HYDRUS-1D for transport problems of multiple components subject to sequential first-order decay, (ii) PHREEQC for steady-state flow conditions, and
Simulation of the Twin Lake tracer tests using different transport models
International Nuclear Information System (INIS)
Kaleris, V.; Klukas, M.; Moltyaner, G.L.
1990-01-01
The 1983 Twin Lake tracer test was simulated using two different sets of the aquifer parameters and three different numerical models. The purpose of the simulations was to identify the parameter set and the model most appropriate to describe the transport phenomena in the Twin Lake aquifer. It is shown that a reliable estimation of the aquifer parameters cannot be obtained from the flow model alone. Transport models must also be used to obtain a reliable estimate of parameters. The method-of-characteristics and random-walk models were used for this purpose. The sensitivity of the results to different execution parameters was evaluated and the required computational efforts were compared. Finally, results obtained by the method of characteristics were compared with the results of a finite element simulation carried out with the same spatial discretization. The comparison demonstrates the influence of the numerical dispersion on the results of the finite element method. Travel time calculations represent a simple way to test the accuracy of the aquifer parameters before transport modeling is done. (Author) (14 refs, 19 figs., 3 tabs.)
A Review of Distributed Parameter Groundwater Management Modeling Methods
Gorelick, Steven M.
1983-04-01
Models which solve the governing groundwater flow or solute transport equations in conjunction with optimization techniques, such as linear and quadratic programing, are powerful aquifer management tools. Groundwater management models fall in two general categories: hydraulics or policy evaluation and water allocation. Groundwater hydraulic management models enable the determination of optimal locations and pumping rates of numerous wells under a variety of restrictions placed upon local drawdown, hydraulic gradients, and water production targets. Groundwater policy evaluation and allocation models can be used to study the influence upon regional groundwater use of institutional policies such as taxes and quotas. Furthermore, fairly complex groundwater-surface water allocation problems can be handled using system decomposition and multilevel optimization. Experience from the few real world applications of groundwater optimization-management techniques is summarized. Classified separately are methods for groundwater quality management aimed at optimal waste disposal in the subsurface. This classification is composed of steady state and transient management models that determine disposal patterns in such a way that water quality is protected at supply locations. Classes of research missing from the literature are groundwater quality management models involving nonlinear constraints, models which join groundwater hydraulic and quality simulations with political-economic management considerations, and management models that include parameter uncertainty.
Quantifying uncertainty, variability and likelihood for ordinary differential equation models
LENUS (Irish Health Repository)
Weisse, Andrea Y
2010-10-28
Abstract Background In many applications, ordinary differential equation (ODE) models are subject to uncertainty or variability in initial conditions and parameters. Both, uncertainty and variability can be quantified in terms of a probability density function on the state and parameter space. Results The partial differential equation that describes the evolution of this probability density function has a form that is particularly amenable to application of the well-known method of characteristics. The value of the density at some point in time is directly accessible by the solution of the original ODE extended by a single extra dimension (for the value of the density). This leads to simple methods for studying uncertainty, variability and likelihood, with significant advantages over more traditional Monte Carlo and related approaches especially when studying regions with low probability. Conclusions While such approaches based on the method of characteristics are common practice in other disciplines, their advantages for the study of biological systems have so far remained unrecognized. Several examples illustrate performance and accuracy of the approach and its limitations.
MT3DMS: Model use, calibration, and validation
Zheng, C.; Hill, Mary C.; Cao, G.; Ma, R.
2012-01-01
MT3DMS is a three-dimensional multi-species solute transport model for solving advection, dispersion, and chemical reactions of contaminants in saturated groundwater flow systems. MT3DMS interfaces directly with the U.S. Geological Survey finite-difference groundwater flow model MODFLOW for the flow solution and supports the hydrologic and discretization features of MODFLOW. MT3DMS contains multiple transport solution techniques in one code, which can often be important, including in model calibration. Since its first release in 1990 as MT3D for single-species mass transport modeling, MT3DMS has been widely used in research projects and practical field applications. This article provides a brief introduction to MT3DMS and presents recommendations about calibration and validation procedures for field applications of MT3DMS. The examples presented suggest the need to consider alternative processes as models are calibrated and suggest opportunities and difficulties associated with using groundwater age in transport model calibration.
Directory of Open Access Journals (Sweden)
Shenghua Yin
2014-01-01
Full Text Available Based on the basic seepage law, equations have been derived to descript the solution flow within the copper ore heap which is treated as anisotropy porous media. The relationship between heap permeability and pore ratio has been revealed. Given the consideration of cover pressure and particle dissolution, pore evolution model has been set up. The pore evolution mechanism, due to the process of dissolution, precipitation, blockage, collapse, and caking, has been investigated. The comprehensive model for pore evolution and solution flow under the effect of solute transport and leaching reaction has been established. A trapezoidal heap was calculated, and the estimated results show that permeability decreases with the decreasing of pore ratio. Therefore, the permeability of the heap with small particles is relatively low because of its low pore ratio. Furthermore, permeability and height are found to be the two main factors influencing the solution flow.
International Nuclear Information System (INIS)
Karriem, Z.; Ivanov, K.; Zamonsky, O.
2011-01-01
This paper presents work that has been performed to develop an integrated Monte Carlo- Deterministic transport methodology in which the two methods make use of exactly the same general geometry and multigroup nuclear data. The envisioned application of this methodology is in reactor lattice physics methods development and shielding calculations. The methodology will be based on the Method of Long Characteristics (MOC) and the Monte Carlo N-Particle Transport code MCNP5. Important initial developments pertaining to ray tracing and the development of an MOC flux solver for the proposed methodology are described. Results showing the viability of the methodology are presented for two 2-D general geometry transport problems. The essential developments presented is the use of MCNP as geometry construction and ray tracing tool for the MOC, verification of the ray tracing indexing scheme that was developed to represent the MCNP geometry in the MOC and the verification of the prototype 2-D MOC flux solver. (author)
International Nuclear Information System (INIS)
Sekar, R.; Kherani, E.A.
2002-01-01
An analytical method is presented for the nonlinear generalized Rayleigh-Taylor instability occurring over the night-time equatorial F region of the terrestrial ionosphere. The time and spatial domain characteristic methods are adopted to describe the evolutions of plasma density and particle flux, respectively. The analysis efficiently describes the known nonlinear features of instability as suggested by many numerical simulations. The existence of shock or steepened structures and their dynamics are discussed by studying the evolution of the characteristics
Energy Technology Data Exchange (ETDEWEB)
Tournassat, Christophe, E-mail: c.tournassat@brgm.fr [BRGM, French Geological Survey, Orleans (France); Alt-Epping, Peter [Rock-Water Interaction Group, Institute of Geological Sciences, University of Bern (Switzerland); Gaucher, Eric C. [BRGM, French Geological Survey, Orleans (France); Gimmi, Thomas [Rock-Water Interaction Group, Institute of Geological Sciences, University of Bern (Switzerland)] [Laboratory for Waste Management, Paul Scherrer Institut, Villigen (Switzerland); Leupin, Olivier X. [NAGRA, CH-5430 Wettingen (Switzerland); Wersin, Paul [Gruner Ltd., CH-4020 Basel (Switzerland)
2011-06-15
Highlights: > Reactive transport modelling was used to simulate simultaneously solute transport, thermodynamic reactions, ion exchange and biodegradation during an in-situ experiment in a clay-rock formation. > Opalinus clay formation has a high buffering capacity in terms of chemical perturbations caused by bacterial activity. > Buffering capacity is mainly attributed to the carbonate system and to the reactivity of clay surfaces (cation exchange, pH buffering). - Abstract: Reactive transport modelling was used to simulate solute transport, thermodynamic reactions, ion exchange and biodegradation in the Porewater Chemistry (PC) experiment at the Mont Terri Rock Laboratory. Simulations show that the most important chemical processes controlling the fluid composition within the borehole and the surrounding formation during the experiment are ion exchange, biodegradation and dissolution/precipitation reactions involving pyrite and carbonate minerals. In contrast, thermodynamic mineral dissolution/precipitation reactions involving alumo-silicate minerals have little impact on the fluid composition on the time-scale of the experiment. With the accurate description of the initial chemical condition in the formation in combination with kinetic formulations describing the different stages of bacterial activities, it has been possible to reproduce the evolution of important system parameters, such as the pH, redox potential, total organic C, dissolved inorganic C and SO{sub 4} concentration. Leaching of glycerol from the pH-electrode may be the primary source of organic material that initiated bacterial growth, which caused the chemical perturbation in the borehole. Results from these simulations are consistent with data from the over-coring and demonstrate that the Opalinus Clay has a high buffering capacity in terms of chemical perturbations caused by bacterial activity. This buffering capacity can be attributed to the carbonate system as well as to the reactivity of
Benioug, M.; Yang, X.
2017-12-01
The evolution of microbial phase within porous medium is a complex process that involves growth, mortality, and detachment of the biofilm or attachment of moving cells. A better understanding of the interactions among biofilm growth, flow and solute transport and a rigorous modeling of such processes are essential for a more accurate prediction of the fate of pollutants (e.g. NAPLs) in soils. However, very few works are focused on the study of such processes in multiphase conditions (oil/water/biofilm systems). Our proposed numerical model takes into account the mechanisms that control bacterial growth and its impact on the dissolution of NAPL. An Immersed Boundary - Lattice Boltzmann Model (IB-LBM) is developed for flow simulations along with non-boundary conforming finite volume methods (volume of fluid and reconstruction methods) used for reactive solute transport. A sophisticated cellular automaton model is also developed to describe the spatial distribution of bacteria. A series of numerical simulations have been performed on complex porous media. A quantitative diagram representing the transitions between the different biofilm growth patterns is proposed. The bioenhanced dissolution of NAPL in the presence of biofilms is simulated at the pore scale. A uniform dissolution approach has been adopted to describe the temporal evolution of trapped blobs. Our simulations focus on the dissolution of NAPL in abiotic and biotic conditions. In abiotic conditions, we analyze the effect of the spatial distribution of NAPL blobs on the dissolution rate under different assumptions (blobs size, Péclet number). In biotic conditions, different conditions are also considered (spatial distribution, reaction kinetics, toxicity) and analyzed. The simulated results are consistent with those obtained from the literature.
Bolton, Glen R; Apostolidis, Alex J
2017-09-01
Fed-batch and perfusion cell culture processes used to produce therapeutic proteins can use microfilters for product harvest. In this study, new explicit mathematical models of sieving loss due to internal membrane fouling, external membrane fouling, or a combination of the two were generated. The models accounted for membrane and cake structures and hindered solute transport. Internal membrane fouling was assumed to occur due to the accumulation of foulant on either membrane pore walls (pore-retention model) or membrane fibers (fiber-retention model). External cake fouling was assumed to occur either by the growth of a single incompressible cake layer (cake-growth) or by the accumulation of a number of independent cake layers (cake-series). The pore-retention model was combined with either the cake-series or cake-growth models to obtain models that describe internal and external fouling occurring either simultaneously or sequentially. The models were tested using well-documented sieving decline data available in the literature. The sequential pore-retention followed by cake-growth model provided a good fit of sieving decline data during beer microfiltration. The cake-series and cake-growth models provided good fits of sieving decline data during the microfiltration of a perfusion cell culture. The new models provide insights into the mechanisms of fouling that result in the loss of product sieving. © 2017 American Institute of Chemical Engineers Biotechnol. Prog., 33:1323-1333, 2017. © 2017 American Institute of Chemical Engineers.
Development and test of models in the natural analogue studies of the Cigar Lake uranium deposit
Energy Technology Data Exchange (ETDEWEB)
Liu Jinsong
1995-06-01
In the model of steady-state near-field mass transport, the model concepts are essentially the same as those in the models developed for a nuclear waste repository. The validity of the model is tested against known helium release. The models shows that the release of Uranium is negligibly low, the release of sulfate is roughly balanced by the release of dissolved hydrogen, indicating possible water radiolysis. The release of radionuclides is in agreement with field observations. In the model of radiation energy deposition, the issue of water radiolysis is addressed directly by calculating the radiation energy deposited in the pore water in the ore body. In the test of the models of coupled solute transport with geochemical reactions, the observed hematisation in the clay halo adjacent to the ore is simulated. The model results show that, at a certain rate of oxidant production, hematite can possibly precipitate in the clay adjacent to the ore body, as observed. The model results also reveal a threshold of oxidant production rate for hematisation. In general, the three models are capable of predicting the most prominent features observed in the deposit. All models point to a certain extent of water radiolysis in the ore body. In addition, the existence of a negligibly permeable clay halo and the presence of reducing minerals like pyrite in the ore and nearby are of vital importance for the preservation of the Uranium ore. 107 refs, 7 figs, 5 tabs.
Development and test of models in the natural analogue studies of the Cigar Lake uranium deposit
International Nuclear Information System (INIS)
Liu Jinsong.
1995-06-01
In the model of steady-state near-field mass transport, the model concepts are essentially the same as those in the models developed for a nuclear waste repository. The validity of the model is tested against known helium release. The models shows that the release of Uranium is negligibly low, the release of sulfate is roughly balanced by the release of dissolved hydrogen, indicating possible water radiolysis. The release of radionuclides is in agreement with field observations. In the model of radiation energy deposition, the issue of water radiolysis is addressed directly by calculating the radiation energy deposited in the pore water in the ore body. In the test of the models of coupled solute transport with geochemical reactions, the observed hematisation in the clay halo adjacent to the ore is simulated. The model results show that, at a certain rate of oxidant production, hematite can possibly precipitate in the clay adjacent to the ore body, as observed. The model results also reveal a threshold of oxidant production rate for hematisation. In general, the three models are capable of predicting the most prominent features observed in the deposit. All models point to a certain extent of water radiolysis in the ore body. In addition, the existence of a negligibly permeable clay halo and the presence of reducing minerals like pyrite in the ore and nearby are of vital importance for the preservation of the Uranium ore. 107 refs, 7 figs, 5 tabs
Liu, Gaisheng; Zheng, Chunmiao; Gorelick, Steven M.
2007-01-01
This paper evaluates the dual‐domain mass transfer (DDMT) model to represent transport processes when small‐scale high‐conductivity (K) preferential flow paths (PFPs) are present in a homogenous porous media matrix. The effects of PFPs upon solute transport were examined through detailed numerical experiments involving different realizations of PFP networks, PFP/matrix conductivity contrasts varying from 10:1 to 200:1, different magnitudes of effective conductivities, and a range of molecular diffusion coefficients. Results suggest that the DDMT model can reproduce both the near‐source peak and the downstream low‐concentration spreading observed in the embedded dendritic network when there are large conductivity contrasts between high‐K PFPs and the low‐K matrix. The accuracy of the DDMT model is also affected by the geometry of PFP networks and by the relative significance of the diffusion process in the network‐matrix system.
Directory of Open Access Journals (Sweden)
P. Benettin
2018-04-01
Full Text Available This paper presents the tran-SAS package, which includes a set of codes to model solute transport and water residence times through a hydrological system. The model is based on a catchment-scale approach that aims at reproducing the integrated response of the system at one of its outlets. The codes are implemented in MATLAB and are meant to be easy to edit, so that users with minimal programming knowledge can adapt them to the desired application. The problem of large-scale solute transport has both theoretical and practical implications. On the one side, the ability to represent the ensemble of water flow trajectories through a heterogeneous system helps unraveling streamflow generation processes and allows us to make inferences on plant–water interactions. On the other side, transport models are a practical tool that can be used to estimate the persistence of solutes in the environment. The core of the package is based on the implementation of an age master equation (ME, which is solved using general StorAge Selection (SAS functions. The age ME is first converted into a set of ordinary differential equations, each addressing the transport of an individual precipitation input through the catchment, and then it is discretized using an explicit numerical scheme. Results show that the implementation is efficient and allows the model to run in short times. The numerical accuracy is critically evaluated and it is shown to be satisfactory in most cases of hydrologic interest. Additionally, a higher-order implementation is provided within the package to evaluate and, if necessary, to improve the numerical accuracy of the results. The codes can be used to model streamflow age and solute concentration, but a number of additional outputs can be obtained by editing the codes to further advance the ability to understand and model catchment transport processes.
Benettin, Paolo; Bertuzzo, Enrico
2018-04-01
This paper presents the tran-SAS package, which includes a set of codes to model solute transport and water residence times through a hydrological system. The model is based on a catchment-scale approach that aims at reproducing the integrated response of the system at one of its outlets. The codes are implemented in MATLAB and are meant to be easy to edit, so that users with minimal programming knowledge can adapt them to the desired application. The problem of large-scale solute transport has both theoretical and practical implications. On the one side, the ability to represent the ensemble of water flow trajectories through a heterogeneous system helps unraveling streamflow generation processes and allows us to make inferences on plant-water interactions. On the other side, transport models are a practical tool that can be used to estimate the persistence of solutes in the environment. The core of the package is based on the implementation of an age master equation (ME), which is solved using general StorAge Selection (SAS) functions. The age ME is first converted into a set of ordinary differential equations, each addressing the transport of an individual precipitation input through the catchment, and then it is discretized using an explicit numerical scheme. Results show that the implementation is efficient and allows the model to run in short times. The numerical accuracy is critically evaluated and it is shown to be satisfactory in most cases of hydrologic interest. Additionally, a higher-order implementation is provided within the package to evaluate and, if necessary, to improve the numerical accuracy of the results. The codes can be used to model streamflow age and solute concentration, but a number of additional outputs can be obtained by editing the codes to further advance the ability to understand and model catchment transport processes.
Experimental and modelling studies of radionuclide migration from contaminated groundwaters
International Nuclear Information System (INIS)
Tompkins, J. A.; Butler, A. P.; Wheater, H. S.; Shaw, G.; Wadey, P.; Bell, J. N. B.
1994-01-01
Lysimeter-based studies of radionuclide uptake by winter wheat are being undertaken to investigate soil-to-plant transfer processes. A five year multi-disciplinary research project has concentrated on the upward migration of contaminants from near surface water-tables and their subsequent uptake by a winter wheat crop. A weighted transfer factor approach and a physically based modelling methodology, for the simulation and prediction of radionuclide uptake, have been developed which offer alternatives to the traditional transfer factor approach. Integrated hydrological and solute transport models are used to simulate contaminant movement and subsequent root uptake. This approach enables prediction of radionuclide transport for a wide range of soil, plant and radionuclide types. This paper presents simulated results of 22 Na plant uptake and soil activity profiles, which are verified with respect to lysimeter data. The results demonstrate that a simple modelling approach can describe the variability in radioactivity in both the harvested crop and the soil profile, without recourse to a large number of empirical parameters. The proposed modelling technique should be readily applicable to a range of scales and conditions, since it embodies an understanding of the underlying physical processes of the system. This work constitutes part of an ongoing research programme being undertaken by UK Nirex Ltd., to assess the long term safety of a deep level repository for low and intermediate level nuclear waste. (author)
International Nuclear Information System (INIS)
Marschall, Paul; Elert, Mark
2003-09-01
The Aespoe Task Force on Modelling of Groundwater Flow and Transport of Solutes is a forum for the international organisations supporting the Aespoe HRL Project. The purpose of the Task Force is to interact in the area of conceptual and numerical modelling of groundwater flow and solute transport in fractured rock. Task 4 of the Aespoe Modelling Task Force consists of modelling exercises in support of the TRUE-1 tracer tests. The task was carried out in 1995-2000 and consisted of several modelling exercises in support of the TRUE-1 tracer tests, including predictive modelling where experimental results were not available beforehand. This report presents an overall evaluation of the achievements of Task 4. The specific objectives of the overall evaluation were to highlight innovative and successful modelling approaches developed, to assess the stages of the task which proved most beneficial for conceptual understanding of transport processes at the TRUE-1 site and to assess the success of various steering tools. A concise summary of scientific achievements is given and conclusions drawn with respect to unresolved technical issues. Recommendations are presented that can optimise the management of future modelling tasks
Energy Technology Data Exchange (ETDEWEB)
Follin, Sven (SF GeoLogic AB, Taeby (Sweden)); Hartley, Lee; Jackson, Peter; Roberts, David (Serco TAP (United Kingdom)); Marsic, Niko (Kemakta Konsult AB, Stockholm (Sweden))
2008-05-15
of spatial variability of the hydraulic properties within soil layers and horizontal versus vertical anisotropy in the hydraulic conductivity of soils. For the deformation zones, the same prescription for assigning transmissivities was followed as for stage 2.2, but a new method for automating the local conditioning of the deformation zone transmissivity in the vicinity of a measurement interval was used. The numerical simulations carried out in stage 2.2 demonstrated that the three geological units: deformation zones, fracture domains and regolith, can be parameterised by means of single-hole hydraulic tests and satisfactorily transformed into heterogeneous hydraulic conductor domains (HCD), hydraulic rock mass domains (HRD) and hydraulic soil domains (HSD). This means that the conceptual model developed from the interpretation of Forsmark data in stage 2.2 can be used to predict a wide range of different types of data and processes such as 1) large-scale cross-hole test responses, 2) natural point-water heads in the bedrock and the regolith, and 3) hydrochemistry profiles along the many cored boreholes drilled in close proximity to the so called target area. It is noted that a primary idea of the confirmatory testing applied in stage 2.2 is that the same groundwater flow and solute transport model is used for each type of simulation to make it transparent that a single implementation of the conceptual model could be calibrated against all three types of field observations, although it may have been possible to improve the modelling of a particular data type by refining the model around a relevant observation borehole, for example. The conceptual modelling in stage 2.2 invoked a number of hypotheses, three of which that were addressed in stage 2.3 by means of complementary field investigations (hydraulic tests). The results from these investigations do not falsify (contradict) any of the three hypotheses, hence none of them should be rejected. In fact, the three
International Nuclear Information System (INIS)
Hodgkinson, David; Black, John
2005-03-01
This report forms part of an independent review of the specifications, execution and results of Task 6 of the Aespoe Task Force on Modelling of Groundwater Flow and Transport of Solutes, which is seeking to provide a bridge between site characterization and performance assessment approaches to solute transport in fractured rock. The present report is concerned solely with Tasks 6b, 6b and 6b which relate to the transport of tracers on a 5-metre scale in Feature A at the TRUE-1 site. The task objectives, specifications and individual modelling team results are summarised and reviewed, and an evaluation of the overall exercise is presented. The report concludes with assessments of what has been learnt, the implications for the Task 6 objectives, and some possible future directions
Energy Technology Data Exchange (ETDEWEB)
Hodgkinson, David [Quintessa, Henley-on-Thame