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Sample records for advective-dispersive solute transport

  1. Analytical solutions of the one-dimensional advection-dispersion solute transport equation subject to time-dependent boundary conditions

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Analytical solutions of the advection-dispersion solute transport equation remain useful for a large number of applications in science and engineering. In this paper we extend the Duhamel theorem, originally established for diffusion type problems, to the case of advective-dispersive transport subj...

  2. Exact analytical solutions for contaminant transport in rivers 1. The equilibrium advection-dispersion equation

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Analytical solutions of the advection-dispersion equation and related models are indispensable for predicting or analyzing contaminant transport processes in streams and rivers, as well as in other surface water bodies. Many useful analytical solutions originated in disciplines other than surface-w...

  3. Analytical solution for the advection-dispersion transport equation in layered media

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The advection-dispersion transport equation with first-order decay was solved analytically for multi-layered media using the classic integral transform technique (CITT). The solution procedure used an associated non-self-adjoint advection-diffusion eigenvalue problem that had the same form and coef...

  4. Analytical solution for one-dimensional advection-dispersion transport equation with distance-dependent coefficients

    NASA Astrophysics Data System (ADS)

    Pérez Guerrero, J. S.; Skaggs, T. H.

    2010-08-01

    SummaryMathematical models describing contaminant transport in heterogeneous porous media are often formulated as an advection-dispersion transport equation with distance-dependent transport coefficients. In this work, a general analytical solution is presented for the linear, one-dimensional advection-dispersion equation with distance-dependent coefficients. An integrating factor is employed to obtain a transport equation that has a self-adjoint differential operator, and a solution is found using the generalized integral transform technique (GITT). It is demonstrated that an analytical expression for the integrating factor exists for several transport equation formulations of practical importance in groundwater transport modeling. Unlike nearly all solutions available in the literature, the current solution is developed for a finite spatial domain. As an illustration, solutions for the particular case of a linearly increasing dispersivity are developed in detail and results are compared with solutions from the literature. Among other applications, the current analytical solution will be particularly useful for testing or benchmarking numerical transport codes because of the incorporation of a finite spatial domain.

  5. An upscaled approach for transport in media with extended tailing due to back-diffusion using analytical and numerical solutions of the advection dispersion equation.

    PubMed

    Parker, Jack C; Kim, Ungtae

    2015-11-01

    The mono-continuum advection-dispersion equation (mADE) is commonly regarded as unsuitable for application to media that exhibit rapid breakthrough and extended tailing associated with diffusion between high and low permeability regions. This paper demonstrates that the mADE can be successfully used to model such conditions if certain issues are addressed. First, since hydrodynamic dispersion, unlike molecular diffusion, cannot occur upstream of the contaminant source, models must be formulated to prevent "back-dispersion." Second, large variations in aquifer permeability will result in differences between volume-weighted average concentration (resident concentration) and flow-weighted average concentration (flux concentration). Water samples taken from wells may be regarded as flux concentrations, while soil samples may be analyzed to determine resident concentrations. While the mADE is usually derived in terms of resident concentration, it is known that a mADE of the same mathematical form may be written in terms of flux concentration. However, when solving the latter, the mathematical transformation of a flux boundary condition applied to the resident mADE becomes a concentration type boundary condition for the flux mADE. Initial conditions must also be consistent with the form of the mADE that is to be solved. Thus, careful attention must be given to the type of concentration data that is available, whether resident or flux concentrations are to be simulated, and to boundary and initial conditions. We present 3-D analytical solutions for resident and flux concentrations, discuss methods of solving numerical models to obtain resident and flux concentrations, and compare results for hypothetical problems. We also present an upscaling method for computing "effective" dispersivities and other mADE model parameters in terms of physically meaningful parameters in a diffusion-limited mobile-immobile model. Application of the latter to previously published studies of

  6. Least-Squares Spectral Method for the solution of a fractional advection-dispersion equation

    NASA Astrophysics Data System (ADS)

    Carella, Alfredo Raúl; Dorao, Carlos Alberto

    2013-01-01

    Fractional derivatives provide a general approach for modeling transport phenomena occurring in diverse fields. This article describes a Least Squares Spectral Method for solving advection-dispersion equations using Caputo or Riemann-Liouville fractional derivatives. A Gauss-Lobatto-Jacobi quadrature is implemented to approximate the singularities in the integrands arising from the fractional derivative definition. Exponential convergence rate of the operator is verified when increasing the order of the approximation. Solutions are calculated for fractional-time and fractional-space differential equations. Comparisons with finite difference schemes are included. A significant reduction in storage space is achieved by lowering the resolution requirements in the time coordinate.

  7. AN EXACT PEAK CAPTURING AND OSCILLATION-FREE SCHEME TO SOLVE ADVECTION-DISPERSION TRANSPORT EQUATIONS

    EPA Science Inventory

    An exact peak capturing and essentially oscillation-free (EPCOF) algorithm, consisting of advection-dispersion decoupling, backward method of characteristics, forward node tracking, and adaptive local grid refinement, is developed to solve transport equations. This algorithm repr...

  8. Solution of the advection-dispersion equation: Continuous load of finite duration

    USGS Publications Warehouse

    Runkel, R.L.

    1996-01-01

    Field studies of solute fate and transport in streams and rivers often involve an. experimental release of solutes at an upstream boundary for a finite period of time. A review of several standard references on surface-water-quality modeling indicates that the analytical solution to the constant-parameter advection-dispersion equation for this type of boundary condition has been generally overlooked. Here an exact analytical solution that considers a continuous load of unite duration is compared to an approximate analytical solution presented elsewhere. Results indicate that the exact analytical solution should be used for verification of numerical solutions and other solute-transport problems wherein a high level of accuracy is required. ?? ASCE.

  9. Approximate Solution of Time-Fractional Advection-Dispersion Equation via Fractional Variational Iteration Method

    PubMed Central

    İbiş, Birol

    2014-01-01

    This paper aims to obtain the approximate solution of time-fractional advection-dispersion equation (FADE) involving Jumarie's modification of Riemann-Liouville derivative by the fractional variational iteration method (FVIM). FVIM provides an analytical approximate solution in the form of a convergent series. Some examples are given and the results indicate that the FVIM is of high accuracy, more efficient, and more convenient for solving time FADEs. PMID:24578662

  10. Numerical simulation of advective-dispersive multisolute transport with sorption, ion exchange and equilibrium chemistry

    USGS Publications Warehouse

    Lewis, F.M.; Voss, C.I.; Rubin, Jacob

    1986-01-01

    A model was developed that can simulate the effect of certain chemical and sorption reactions simultaneously among solutes involved in advective-dispersive transport through porous media. The model is based on a methodology that utilizes physical-chemical relationships in the development of the basic solute mass-balance equations; however, the form of these equations allows their solution to be obtained by methods that do not depend on the chemical processes. The chemical environment is governed by the condition of local chemical equilibrium, and may be defined either by the linear sorption of a single species and two soluble complexation reactions which also involve that species, or binary ion exchange and one complexation reaction involving a common ion. Partial differential equations that describe solute mass balance entirely in the liquid phase are developed for each tenad (a chemical entity whose total mass is independent of the reaction process) in terms of their total dissolved concentration. These equations are solved numerically in two dimensions through the modification of an existing groundwater flow/transport computer code. (Author 's abstract)

  11. THE INTERPLAY BETWEEN GEOCHEMICAL REACTIONS AND ADVECTION-DISPERSION IN CONTAMINANT TRANSPORT AT A URANIUM MILL TAILINGS SITE

    EPA Science Inventory

    It is well known that the fate and transport of contaminants in the subsurface are controlled by complex processes including advection, dispersion-diffusion, and chemical reactions. However, the interplay between the physical transport processes and chemical reactions, and their...

  12. Diffusion related isotopic fractionation effects with one-dimensional advective-dispersive transport.

    PubMed

    Xu, Bruce S; Lollar, Barbara Sherwood; Passeport, Elodie; Sleep, Brent E

    2016-04-15

    Aqueous phase diffusion-related isotope fractionation (DRIF) for carbon isotopes was investigated for common groundwater contaminants in systems in which transport could be considered to be one-dimensional. This paper focuses not only on theoretically observable DRIF effects in these systems but introduces the important concept of constraining "observable" DRIF based on constraints imposed by the scale of measurements in the field, and on standard limits of detection and analytical uncertainty. Specifically, constraints for the detection of DRIF were determined in terms of the diffusive fractionation factor, the initial concentration of contaminants (C0), the method detection limit (MDL) for isotopic analysis, the transport time, and the ratio of the longitudinal mechanical dispersion coefficient to effective molecular diffusion coefficient (Dmech/Deff). The results allow a determination of field conditions under which DRIF may be an important factor in the use of stable carbon isotope measurements for evaluation of contaminant transport and transformation for one-dimensional advective-dispersive transport. This study demonstrates that for diffusion-dominated transport of BTEX, MTBE, and chlorinated ethenes, DRIF effects are only detectable for the smaller molar mass compounds such as vinyl chloride for C0/MDL ratios of 50 or higher. Much larger C0/MDL ratios, corresponding to higher source concentrations or lower detection limits, are necessary for DRIF to be detectable for the higher molar mass compounds. The distance over which DRIF is observable for VC is small (less than 1m) for a relatively young diffusive plume (<100years), and DRIF will not easily be detected by using the conventional sampling approach with "typical" well spacing (at least several meters). With contaminant transport by advection, mechanical dispersion, and molecular diffusion this study suggests that in field sites where Dmech/Deff is larger than 10, DRIF effects will likely not be

  13. A novel method for analytically solving a radial advection-dispersion equation

    NASA Astrophysics Data System (ADS)

    Lai, Keng-Hsin; Liu, Chen-Wuing; Liang, Ching-Ping; Chen, Jui-Sheng; Sie, Bing-Ruei

    2016-11-01

    An analytical solution for solute transport in a radial flow field has a variety of practical applications in the study of the transport in push-pull/divergent/convergent flow tracer tests, aquifer remediation by pumping and aquifer storage and recovery. However, an analytical solution for radial advective-dispersive transport has been proven very difficult to develop and relatively few in subsurface hydrology have made efforts to do so, because variable coefficients in the governing partial differential equations. Most of the solutions for radial advective-dispersive transport presented in the literature have generally been solved semi-analytically with the final concentration values being obtained with the help of a numerical Laplace inversion. This study presents a novel solution strategy for analytically solving the radial advective-dispersive transport problem. A Laplace transform with respect to the time variable and a generalized integral transform technique with respect to the spatial variable are first performed to convert the transient governing partial differential equations into an algebraic equation. Subsequently, the algebraic equation is solved using simple algebraic manipulations, easily yielding the solution in the transformed domain. The solution in the original domain is ultimately obtained by successive applications of the Laplace and corresponding generalized integral transform inversions. A convergent flow tracer test is used to demonstrate the robustness of the proposed method for deriving an exact analytical solution to the radial advective-dispersive transport problem. The developed analytical solution is verified against a semi-analytical solution taken from the literature. The results show perfect agreement between our exact analytical solution and the semi-analytical solution. The solution method presented in this study can be applied to create more comprehensive analytical models for a great variety of radial advective-dispersive

  14. A finite-volume Eulerian-Lagrangian localized adjoint method for solution of the advection-dispersion equation

    USGS Publications Warehouse

    Healy, R.W.; Russell, T.F.

    1993-01-01

    Test results demonstrate that the finite-volume Eulerian-Lagrangian localized adjoint method (FVELLAM) outperforms standard finite-difference methods for solute transport problems that are dominated by advection. FVELLAM systematically conserves mass globally with all types of boundary conditions. Integrated finite differences, instead of finite elements, are used to approximate the governing equation. This approach, in conjunction with a forward tracking scheme, greatly facilitates mass conservation. The mass storage integral is numerically evaluated at the current time level, and quadrature points are then tracked forward in time to the next level. Forward tracking permits straightforward treatment of inflow boundaries, thus avoiding the inherent problem in backtracking of characteristic lines intersecting inflow boundaries. FVELLAM extends previous results by obtaining mass conservation locally on Lagrangian space-time elements. -from Authors

  15. STATISTICAL METHODOLOGY FOR ESTIMATING TRANSPORT PARAMETERS: THEORY AND APPLICATIONS TO ONE-DOMENSIONAL ADVECTIVE-DISPERSIVE SYSTEMS.

    USGS Publications Warehouse

    Wagner, Brian J.; Gorelick, Steven M.

    1986-01-01

    A simulation nonlinear multiple-regression methodology for estimating parameters that characterize the transport of contaminants is developed and demonstrated. Finite difference containment transport simulation is combined with a nonlinear weighted least squares multiple-regression procedure. The technique provides optimal parameter estimates and gives statistics for assessing the reliability of these estimates under certain general assumptions about the distributions of the random measurement errors. Monte Carlo analysis is used to estimate parameter reliability for a hypothetical homogeneous soil column for which concentration data contain large random measurement errors. The value of data collected spatially versus data collected temporally was investigated for estimation of velocity, dispersion coefficient, effective porosity, first-order decay rate, and zero-order production. The use of spatial data gave estimates that were 2-3 times more reliable than estimates based on temporal data for all parameters except velocity. (Estimated author abstract) Refs.

  16. Space-fractional advection-dispersion equations by the Kansa method

    NASA Astrophysics Data System (ADS)

    Pang, Guofei; Chen, Wen; Fu, Zhuojia

    2015-07-01

    The paper makes the first attempt at applying the Kansa method, a radial basis function meshless collocation method, to the space-fractional advection-dispersion equations, which have recently been observed to accurately describe solute transport in a variety of field and lab experiments characterized by occasional large jumps with fewer parameters than the classical models of integer-order derivative. However, because of non-local property of integro-differential operator of space-fractional derivative, numerical solution of these novel models is very challenging and little has been reported in literature. It is stressed that local approximation techniques such as the finite element and finite difference methods lose their sparse discretization matrix due to this non-local property. Thus, the global methods appear to have certain advantages in numerical simulation of these non-local models because of their high accuracy and smaller size resultant matrix equation. Compared with the finite difference method, popular in the solution of fractional equations, the Kansa method is a recent meshless global technique and is promising for high-dimensional irregular domain problems. In this study, the resultant matrix of the Kansa method is accurately calculated by the Gauss-Jacobi quadrature rule. Numerical results show that the Kansa method is highly accurate and computationally efficient for space-fractional advection-dispersion problems.

  17. Using a Gas-Phase Tracer Test to Characterize the Impact of Landfill Gas Generation on Advective-Dispersive Transport of VOCs in the Vadose Zone

    PubMed Central

    Monger, Gregg R.; Duncan, Candice Morrison; Brusseau, Mark L.

    2015-01-01

    A gas-phase tracer test (GTT) was conducted at a landfill in Tucson, AZ, to help elucidate the impact of landfill gas generation on the transport and fate of chlorinated aliphatic volatile organic contaminants (VOCs). Sulfur hexafluoride (SF6) was used as the non-reactive gas tracer. Gas samples were collected from a multiport monitoring well located 15.2 m from the injection well, and analyzed for SF6, CH4, CO2, and VOCs. The travel times determined for SF6 from the tracer test are approximately two to ten times smaller than estimated travel times that incorporate transport by only gas-phase diffusion. In addition, significant concentrations of CH4 and CO2 were measured, indicating production of landfill gas. Based on these results, it is hypothesized that the enhanced rates of transport observed for SF6 are caused by advective transport associated with landfill gas generation. The rates of transport varied vertically, which is attributed to multiple factors including spatial variability of water content, refuse mass, refuse permeability, and gas generation. PMID:26380532

  18. Using a Gas-Phase Tracer Test to Characterize the Impact of Landfill Gas Generation on Advective-Dispersive Transport of VOCs in the Vadose Zone.

    PubMed

    Monger, Gregg R; Duncan, Candice Morrison; Brusseau, Mark L

    2014-12-01

    A gas-phase tracer test (GTT) was conducted at a landfill in Tucson, AZ, to help elucidate the impact of landfill gas generation on the transport and fate of chlorinated aliphatic volatile organic contaminants (VOCs). Sulfur hexafluoride (SF6) was used as the non-reactive gas tracer. Gas samples were collected from a multiport monitoring well located 15.2 m from the injection well, and analyzed for SF6, CH4, CO2, and VOCs. The travel times determined for SF6 from the tracer test are approximately two to ten times smaller than estimated travel times that incorporate transport by only gas-phase diffusion. In addition, significant concentrations of CH4 and CO2 were measured, indicating production of landfill gas. Based on these results, it is hypothesized that the enhanced rates of transport observed for SF6 are caused by advective transport associated with landfill gas generation. The rates of transport varied vertically, which is attributed to multiple factors including spatial variability of water content, refuse mass, refuse permeability, and gas generation.

  19. Exact analytical solutions for contaminant transport in rivers 2. Transient storage and decay chain solutions

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Contaminant transport processes in streams, rivers, and other surface water bodies can be analyzed or predicted using the advection-dispersion equation and related transport models. In part 1 of this two-part series we presented a large number of one- and multi-dimensional analytical solutions of t...

  20. Using OTIS to model solute transport in streams and rivers

    USGS Publications Warehouse

    Runkel, Robert L.

    2000-01-01

    Solute transport in streams and rivers is governed by a suite of hydrologic and geochemical processes. Knowledge of these processes is needed when assessing the fate of contaminants that are released into surface waters. The study of solute fate and transport often is aided by solute transport models that mathematically describe the underlying processes. This fact sheet describes a model that considers One-Dimensional Transport with Inflow and Storage (OTIS). As shown by several example applications, OTIS may be used in conjunction with field-scale data to quantify hydrologic processes (advection, dispersion, and transient storage) and certain chemical reactions (sorption and first-order decay).

  1. Solute transport in solution conduits exhibiting multi-peaked breakthrough curves

    NASA Astrophysics Data System (ADS)

    Field, Malcolm S.; Leij, Feike J.

    2012-05-01

    SummarySolute transport in karst aquifers is primarily constrained to solution conduits where transport is rapid, turbulent, and relatively unrestrictive. Breakthrough curves generated from tracer tests are typically positively-skewed and may exhibit multiple peaks. In order to understand the circumstances under which multi-peaked positively skewed breakthrough curves occur, physical experiments utilizing single- and multiple-flow channels were conducted. Experiments also included waterfalls, short-term solute detention in pools, and flow obstructions. Results demonstrated that breakthrough curve skewness nearly always occurs to some degree but is magnified as immobile-flow regions are encountered. Multi-peaked breakthrough curves occurred when flow in the main channel became partially occluded from blockage in the main channel that forced divergence of solute into auxiliary channels and when waterfalls and detention in pools occurred. Currently, multi-peaked breakthrough curves are fitted by a multi-dispersion model in which a series of curves generated by the advection-dispersion equation are fitted to each measured peak by superimposing the measured breakthrough curve to obtain a combined model fit with a consequent set of estimated velocities and dispersions. In this paper, a dual-advection dispersion equation with first-order mass transfer between conduits was derived. The dual-advection dispersion equation was then applied to the multi-peaked breakthrough curves obtained from the physical experiments in order to obtain some insight into the operative solute-transport processes through the acquisition of a consequent set of velocities, dispersions, and related parameters. Successful application of the dual-advection, dispersion equation to a tracer test that exhibited dual peaks for a karst aquifer known to consist of two connected but mostly separate conduits confirmed the appropriateness of using a multi-dispersion type model when conditions warrant.

  2. Ion-exchange reactions on clay minerals coupled with advection/dispersion processes. Application to Na+/Ca2+ exchange on vermiculite: Reactive-transport modeling, batch and stirred flow-through reactor experiments

    NASA Astrophysics Data System (ADS)

    Tertre, E.; Hubert, F.; Bruzac, S.; Pacreau, M.; Ferrage, E.; Prêt, D.

    2013-07-01

    The present study aims at testing the validity of using an Na+/Ca2+ ion-exchange model, derived from batch data to interpret experimental Ca2+-for-Na+ exchange breakthrough curves obtained on vermiculite (a common swelling clay mineral in surface environments). The ion-exchange model was constructed considering the multi-site nature of the vermiculite surface as well as the exchange of all aqueous species (Mg2+ derived from the dissolution of the solid and H+). The proposed ion-exchange model was then coupled with a transport model, and the predicted breakthrough curves were compared with the experimental ones obtained using a well stirred flow-through reactor. For a given solute residence time in the reactor (typically 50 min), our thermodynamic model based on instantaneous equilibrium was found to accurately reproduce several of the experimental breakthrough curves, depending on the Na+ and Ca2+ concentrations of the influents pumped through the reactor. However the model failed to reproduce experimental breakthrough curves obtained at high flow rates and low chemical gradient between the exchanger phase and the solution. An alternative model based on a hybrid equilibrium/kinetic approach was thus used and allowed predicting experimental data. Based on these results, we show that a simple parameter can be used to differentiate between thermodynamic and kinetic control of the exchange reaction with water flow. The results of this study are relevant for natural systems where two aquatic environments having contrasted chemistries interact. Indeed, the question regarding the attainment of a full equilibrium in such a system during the contact time of the aqueous phase with the particle/colloid remains most often open. In this context, we show that when a river (a flow of fresh water) encounters marine colloids, a systematic full equilibrium can be assumed (i.e., the absence of kinetic effects) when the residence time of the solute in 1 m3 of the system is ⩾6200 h.

  3. BEHAVIOR OF SENSITIVITIES IN THE ONE-DIMENSIONAL ADVECTION-DISPERSION EQUATION: IMPLICATIONS FOR PARAMETER ESTIMATION AND SAMPLING DESIGN.

    USGS Publications Warehouse

    Knopman, Debra S.; Voss, Clifford I.

    1987-01-01

    The spatial and temporal variability of sensitivities has a significant impact on parameter estimation and sampling design for studies of solute transport in porous media. Physical insight into the behavior of sensitivities is offered through an analysis of analytically derived sensitivities for the one-dimensional form of the advection-dispersion equation. When parameters are estimated in regression models of one-dimensional transport, the spatial and temporal variability in sensitivities influences variance and covariance of parameter estimates. Several principles account for the observed influence of sensitivities on parameter uncertainty. (1) Information about a physical parameter may be most accurately gained at points in space and time. (2) As the distance of observation points from the upstream boundary increases, maximum sensitivity to velocity during passage of the solute front increases. (3) The frequency of sampling must be 'in phase' with the S shape of the dispersion sensitivity curve to yield the most information on dispersion. (4) The sensitivity to the dispersion coefficient is usually at least an order of magnitude less than the sensitivity to velocity. (5) The assumed probability distribution of random error in observations of solute concentration determines the form of the sensitivities. (6) If variance in random error in observations is large, trends in sensitivities of observation points may be obscured by noise. (7) Designs that minimize the variance of one parameter may not necessarily minimize the variance of other parameters.

  4. From analytical solutions of solute transport equations to multidimensional time-domain random walk (TDRW) algorithms

    NASA Astrophysics Data System (ADS)

    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.

  5. Advection, dispersion, and filtration of fine particles within emergent vegetation of the Florida Everglades

    USGS Publications Warehouse

    Huang, Y.H.; Saiers, J.E.; Harvey, J.W.; Noe, G.B.; Mylon, S.

    2008-01-01

    The movement of particulate matter within wetland surface waters affects nutrient cycling, contaminant mobility, and the evolution of the wetland landscape. Despite the importance of particle transport in influencing wetland form and function, there are few data sets that illuminate, in a quantitative way, the transport behavior of particulate matter within surface waters containing emergent vegetation. We report observations from experiments on the transport of 1 ??m latex microspheres at a wetland field site located in Water Conservation Area 3A of the Florida Everglades. The experiments involved line source injections of particles inside two 4.8-m-long surface water flumes constructed within a transition zone between an Eleocharis slough and Cladium jamaicense ridge and within a Cladium jamaicense ridge. We compared the measurements of particle transport to calculations of two-dimensional advection-dispersion model that accounted for a linear increase in water velocities with elevation above the ground surface. The results of this analysis revealed that particle spreading by longitudinal and vertical dispersion was substantially greater in the ridge than within the transition zone and that particle capture by aquatic vegetation lowered surface water particle concentrations and, at least for the timescale of our experiments, could be represented as an irreversible, first-order kinetics process. We found generally good agreement between our field-based estimates of particle dispersion and water velocity and estimates determined from published theory, suggesting that the advective-dispersive transport of particulate matter within complex wetland environments can be approximated on the basis of measurable properties of the flow and aquatic vegetation. Copyright 2008 by the American Geophysical Union.

  6. Reactive solute transport in acidic streams

    USGS Publications Warehouse

    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.

  7. Using PHREEQC to simulate solute transport in fractured bedrock.

    PubMed

    Lipson, David S; McCray, John E; Thyne, Geoffrey D

    2007-01-01

    The geochemical computer model PHREEQC can simulate solute transport in fractured bedrock aquifers that can be conceptualized as dual-porosity flow systems subject to one-dimensional advective-dispersive transport in the bedrock fractures and diffusive transport in the bedrock matrix. This article demonstrates how the physical characteristics of such flow systems can be parameterized for use in PHREEQC, it provides a method for minimizing numerical dispersion in PHREEQC simulations, and it compares PHREEQC simulations with results of an analytical solution. The simulations assumed a dual-porosity conceptual model involving advective-reactive-dispersive transport in the mobile zone (bedrock fracture) and diffusive-reactive transport in the immobile zone (bedrock matrix). The results from the PHREEQC dual-porosity transport model that uses a finite-difference approach showed excellent agreement compared with an analytical solution.

  8. Analytical power series solution for contaminant transport with hyperbolic asymptotic distance-dependent dispersivity

    NASA Astrophysics Data System (ADS)

    Chen, Jui-Sheng; Ni, Chuen-Fa; Liang, Ching-Ping; Chiang, Chen-Chung

    2008-11-01

    SummaryA hyperbolic asymptotic function, which characterizes that the dispersivity initially increases with travel distance and eventually reaches an asymptotic value at long travel distance, is adopted and incorporated into the general advection-dispersion equation for describing scale-dependent solute transport in porous media in this study. An analytical technique for solving advection-dispersion equation with hyperbolic asymptotic distance-dependent dispersivity is presented. The analytical solution is derived by applying the extended power series method coupling with the Laplace transform. The developed analytical solution is compared with the corresponding numerical solution to evaluate its accuracy. Results demonstrate that the breakthrough curves at different locations obtained from the derived power series solution agree closely with those from the numerical solution. Moreover, breakthrough curves obtained from the hyperbolic asymptotic dispersivity model are compared with those obtained from the constant dispersivity model to scrutinize the relationship of the transport parameters derived by Mishra and Parker [Mishra, S., Parker, J.C., 1990. Analysis of solute transport with a hyperbolic scale dependent dispersion model. Hydrol. Proc. 4(1), 45-47]. The result reveals that the relationship postulated by Mishra and Parker [Mishra, S., Parker, J.C., 1990. Analysis of solute transport with a hyperbolic scale dependent dispersion model. Hydrol. Proc. 4(1), 45-47] is only valid under conditions with small dimensionless asymptotic dispersivity ( aa) and large dimensionless characteristic half length ( b).

  9. Passive advection-dispersion in networks of pipes: Effect of connectivity and relationship to permeability

    NASA Astrophysics Data System (ADS)

    Bernabé, Y.; Wang, Y.; Qi, T.; Li, M.

    2016-02-01

    The main purpose of this work is to investigate the relationship between passive advection-dispersion and permeability in porous materials presumed to be statistically homogeneous at scales larger than the pore scale but smaller than the reservoir scale. We simulated fluid flow through pipe network realizations with different pipe radius distributions and different levels of connectivity. The flow simulations used periodic boundary conditions, allowing monitoring of the advective motion of solute particles in a large periodic array of identical network realizations. In order to simulate dispersion, we assumed that the solute particles obeyed Taylor dispersion in individual pipes. When a particle entered a pipe, a residence time consistent with local Taylor dispersion was randomly assigned to it. When exiting the pipe, the particle randomly proceeded into one of the pipes connected to the original one according to probabilities proportional to the outgoing volumetric flow in each pipe. For each simulation we tracked the motion of at least 6000 solute particles. The mean fluid velocity was 10-3 ms-1, and the distance traveled was on the order of 10 m. Macroscopic dispersion was quantified using the method of moments. Despite differences arising from using different types of lattices (simple cubic, body-centered cubic, and face-centered cubic), a number of general observations were made. Longitudinal dispersion was at least 1 order of magnitude greater than transverse dispersion, and both strongly increased with decreasing pore connectivity and/or pore size variability. In conditions of variable hydraulic radius and fixed pore connectivity and pore size variability, the simulated dispersivities increased as power laws of the hydraulic radius and, consequently, of permeability, in agreement with previously published experimental results. Based on these observations, we were able to resolve some of the complexity of the relationship between dispersivity and permeability.

  10. Simulating water, solute, and heat transport in the subsurface with the VS2DI software package

    USGS Publications Warehouse

    Healy, R.W.

    2008-01-01

    The software package VS2DI was developed by the U.S. Geological Survey for simulating water, solute, and heat transport in variably saturated porous media. The package consists of a graphical preprocessor to facilitate construction of a simulation, a postprocessor for visualizing simulation results, and two numerical models that solve for flow and solute transport (VS2DT) and flow and heat transport (VS2DH). The finite-difference method is used to solve the Richards equation for flow and the advection-dispersion equation for solute or heat transport. This study presents a brief description of the VS2DI package, an overview of the various types of problems that have been addressed with the package, and an analysis of the advantages and limitations of the package. A review of other models and modeling approaches for studying water, solute, and heat transport also is provided. ?? Soil Science Society of America. All rights reserved.

  11. Analytical solutions for one-, two-, and three-dimensional solute transport in ground-water systems with uniform flow

    USGS Publications Warehouse

    Wexler, Eliezer J.

    1989-01-01

    Analytical solutions to the advective-dispersive solute transport equation are useful in predicting the fate of solutes in groundwater. Analytical solutions compiled from available literature or derived by the author are presented in this report for a variety of boundary condition types and solute-source configuration in one-, two-, and three-dimensional systems with uniform groundwater flow. A set of user-oriented computer programs was created to evaluate these solutions and to display the results in tabular and computer-graphics format. These programs incorporate many features that enhance their accuracy, ease of use, and versatility. Documentation for the programs describes their operation and required input data, and presents the results of sample problems. Derivations of select solutions, source codes for the computer programs, and samples of program input and output also are described. (USGS)

  12. Analytical solutions for one-, two-, and three-dimensional solute transport in ground-water systems with uniform flow

    USGS Publications Warehouse

    Wexler, Eliezer J.

    1992-01-01

    Analytical solutions to the advective-dispersive solute-transport equation are useful in predicting the fate of solutes in ground water. Analytical solutions compiled from available literature or derived by the author are presented for a variety of boundary condition types and solute-source configurations in one-, two-, and three-dimensional systems having uniform ground-water flow. A set of user-oriented computer programs was created to evaluate these solutions and to display the results in tabular and computer-graphics format. These programs incorporate many features that enhance their accuracy, ease of use, and versatility. Documentation for the programs describes their operation and required input data, and presents the results of sample problems. Derivations of selected solutions, source codes for the computer programs, and samples of program input and output also are included.

  13. Lattice Boltzmann simulation of solute transport in heterogeneous porous media with conduits to estimate macroscopic continuous time random walk model parameters

    SciTech Connect

    Anwar, S.; Cortis, A.; Sukop, M.

    2008-10-20

    Lattice Boltzmann models simulate solute transport in porous media traversed by conduits. Resulting solute breakthrough curves are fitted with Continuous Time Random Walk models. Porous media are simulated by damping flow inertia and, when the damping is large enough, a Darcy's Law solution instead of the Navier-Stokes solution normally provided by the lattice Boltzmann model is obtained. Anisotropic dispersion is incorporated using a direction-dependent relaxation time. Our particular interest is to simulate transport processes outside the applicability of the standard Advection-Dispersion Equation (ADE) including eddy mixing in conduits. The ADE fails to adequately fit any of these breakthrough curves.

  14. Analytically-derived sensitivities in one-dimensional models of solute transport in porous media

    USGS Publications Warehouse

    Knopman, D.S.

    1987-01-01

    Analytically-derived sensitivities are presented for parameters in one-dimensional models of solute transport in porous media. Sensitivities were derived by direct differentiation of closed form solutions for each of the odel, and by a time integral method for two of the models. Models are based on the advection-dispersion equation and include adsorption and first-order chemical decay. Boundary conditions considered are: a constant step input of solute, constant flux input of solute, and exponentially decaying input of solute at the upstream boundary. A zero flux is assumed at the downstream boundary. Initial conditions include a constant and spatially varying distribution of solute. One model simulates the mixing of solute in an observation well from individual layers in a multilayer aquifer system. Computer programs produce output files compatible with graphics software in which sensitivities are plotted as a function of either time or space. (USGS)

  15. The prediction of solute transport in surcharged manholes using CFD.

    PubMed

    Lau, S D; Stovin, V R; Guymer, I

    2007-01-01

    Solute transport processes occur within a wide range of water engineering structures, and urban drainage engineers increasingly rely on modelling tools to represent the transport of dissolved materials. The models take as input representative travel time and dispersion characteristics for key system components, and these generally have to be identified via field or laboratory measurements. Computational Fluid Dynamics (CFD) has the potential to reveal the underlying hydraulic processes that control solute transport, and to provide a generic means of identifying relevant parameter values. This paper reports on a study that has been undertaken to evaluate the feasibility of utilising a CFD-based approach to modelling solute transport. Discrete phase modelling has been adopted, as this is computationally efficient and robust when compared with the time-dependent solution of the advection-dispersion equation. Simulation results are compared with published laboratory data characterising the dispersion effects of surcharged manholes, focusing specifically on an 800 mm diameter laboratory manhole for a flowrate of 0.002 m(3)/s and a range of surcharge depths. Preliminary indications are that the CFD results adequately replicate the measured downstream temporal concentration profiles, and that a threshold surcharge depth, corresponding to a change in hydraulic regime within the manhole, can also be identified.

  16. Permeability generation and resetting of tracers during metamorphic fluid flow: implications for advection-dispersion models

    NASA Astrophysics Data System (ADS)

    Cartwright, Ian

    Advection-dispersion fluid flow models implicitly assume that the infiltrating fluid flows through an already fluid-saturated medium. However, whether rocks contain a fluid depends on their reaction history, and whether any initial fluid escapes. The behaviour of different rocks may be illustrated using hypothetical marble compositions. Marbles with diverse chemistries (e.g. calcite + dolomite + quartz) are relatively reactive, and will generally produce a fluid during heating. By contrast, marbles with more restricted chemistries (e.g. calcite + quartz or calcite-only) may not. If the rock is not fluid bearing when fluid infiltration commences, mineralogical reactions may produce a reaction-enhanced permeability in calcite + dolomite + quartz or calcite + quartz, but not in calcite-only marbles. The permeability production controls the pattern of mineralogical, isotopic, and geochemical resetting during fluid flow. Tracers retarded behind the mineralogical fronts will probably be reset as predicted by the advection-dispersion models; however, tracers that are expected to be reset ahead of the mineralogical fronts cannot progress beyond the permeability generating reaction. In the case of very unreactive lithologies (e.g. pure calcite marbles, cherts, and quartzites), the first reaction to affect the rocks may be a metasomatic one ahead of which there is little pervasive resetting of any tracer. Centimetre-scale layering may lead to the formation of self-perpetuating fluid channels in rocks that are not fluid saturated due to the juxtaposition of reactants. Such layered rocks may show patterns of mineralogical resetting that are not predicted by advection-dispersion models. Patterns of mineralogical and isotopic resetting in marbles from a number of terrains, for example: Chillagoe, Marulan South, Reynolds Range (Australia); Adirondack Mountains, Old Woman Mountains, Notch Peak (USA); and Stephen Cross Quarry (Canada) vary as predicted by these models.

  17. An efficient numerical solution of the transient storage equations for solute transport in small streams

    USGS Publications Warehouse

    Runkel, Robert L.; Chapra, Steven C.

    1993-01-01

    Several investigators have proposed solute transport models that incorporate the effects of transient storage. Transient storage occurs in small streams when portions of the transported solute become isolated in zones of water that are immobile relative to water in the main channel (e.g., pools, gravel beds). Transient storage is modeled by adding a storage term to the advection-dispersion equation describing conservation of mass for the main channel. In addition, a separate mass balance equation is written for the storage zone. Although numerous applications of the transient storage equations may be found in the literature, little attention has been paid to the numerical aspects of the approach. Of particular interest is the coupled nature of the equations describing mass conservation for the main channel and the storage zone. In the work described herein, an implicit finite difference technique is developed that allows for a decoupling of the governing differential equations. This decoupling method may be applied to other sets of coupled equations such as those describing sediment-water interactions for toxic contaminants. For the case at hand, decoupling leads to a 50% reduction in simulation run time. Computational costs may be further reduced through efficient application of the Thomas algorithm. These techniques may be easily incorporated into existing codes and new applications in which simulation run time is of concern.

  18. FRACVAL: Validation (nonlinear least squares method) of the solution of one-dimensional transport of decaying species in a discrete planar fracture with rock matrix diffusion

    SciTech Connect

    Gureghian, A.B.

    1990-08-01

    Analytical solutions based on the Laplace transforms are presented for the one-dimensional, transient, advective-dispersive transport of a reacting radionuclide through a discrete planar fracture with constant aperture subject to diffusion in the surrounding rock matrix where both regions of solute migration display residual concentrations. The dispersion-free solutions, which are of closed form, are also reported. The solution assumes that the ground-water flow regime is under steady-state and isothermal conditions and that the rock matrix is homogeneous, isotropic, and saturated with stagnant water. The verification of the solution was performed by means of related analytical solutions dealing with particular aspects of the transport problem under investigation on the one hand, and a numerical solution capable of handling the complete problem on the other. The integrals encountered in the general solution are evaluated by means of a composite Gauss-Legendre quadrature scheme. 9 refs., 8 figs., 32 tabs.

  19. Automated calibration of a stream solute transport model: Implications for interpretation of biogeochemical parameters

    USGS Publications Warehouse

    Scott, D.T.; Gooseff, M.N.; Bencala, K.E.; Runkel, R.L.

    2003-01-01

    The hydrologic processes of advection, dispersion, and transient storage are the primary physical mechanisms affecting solute transport in streams. The estimation of parameters for a conservative solute transport model is an essential step to characterize transient storage and other physical features that cannot be directly measured, and often is a preliminary step in the study of reactive solutes. Our study used inverse modeling to estimate parameters of the transient storage model OTIS (One dimensional Transport with Inflow and Storage). Observations from a tracer injection experiment performed on Uvas Creek, California, USA, are used to illustrate the application of automated solute transport model calibration to conservative and nonconservative stream solute transport. A computer code for universal inverse modeling (UCODE) is used for the calibrations. Results of this procedure are compared with a previous study that used a trial-and-error parameter estimation approach. The results demonstrated 1) importance of the proper estimation of discharge and lateral inflow within the stream system; 2) that although the fit of the observations is not much better when transient storage is invoked, a more randomly distributed set of residuals resulted (suggesting non-systematic error), indicating that transient storage is occurring; 3) that inclusion of transient storage for a reactive solute (Sr2+) provided a better fit to the observations, highlighting the importance of robust model parameterization; and 4) that applying an automated calibration inverse modeling estimation approach resulted in a comprehensive understanding of the model results and the limitation of input data.

  20. Approximation of the Lévy Feller advection dispersion process by random walk and finite difference method

    NASA Astrophysics Data System (ADS)

    Liu, Q.; Liu, F.; Turner, I.; Anh, V.

    2007-03-01

    In this paper we present a random walk model for approximating a Lévy-Feller advection-dispersion process, governed by the Lévy-Feller advection-dispersion differential equation (LFADE). We show that the random walk model converges to LFADE by use of a properly scaled transition to vanishing space and time steps. We propose an explicit finite difference approximation (EFDA) for LFADE, resulting from the Grünwald-Letnikov discretization of fractional derivatives. As a result of the interpretation of the random walk model, the stability and convergence of EFDA for LFADE in a bounded domain are discussed. Finally, some numerical examples are presented to show the application of the present technique.

  1. An ELLAM Approximation for Advective-Dispersive Transport with Nonlinear Sorption

    DTIC Science & Technology

    2005-02-28

    1, Cass T. Miller a aCenter for the Integrated Study of the Environment, Department of Environmental Sciences and Engineering , University of North...Carolina, Chapel Hill, North Carolina 27599-7431, USA bU.S. Army Engineer Research and Development Center, Coastal and Hydraulics Laboratory, 3909 Halls...Center for Integrated Study of the Environment,Department of Environmental Sciences and Engineering ,Chapel Hill,NC,27599-7431 8. PERFORMING

  2. Reactive Solute Transport in Streams: 1. Development of an Equilibrium-Based Model

    NASA Astrophysics Data System (ADS)

    Runkel, Robert L.; Bencala, Kenneth E.; Broshears, Robert E.; Chapra, Steven C.

    1996-02-01

    An equilibrium-based solute transport model is developed for the simulation of trace metal fate and transport in streams. The model is formed by coupling a solute transport model with a chemical equilibrium submodel based on MINTEQ. The solute transport model considers the physical processes of advection, dispersion, lateral inflow, and transient storage, while the equilibrium submodel considers the speciation and complexation of aqueous species, precipitation/dissolution and sorption. Within the model, 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 (water-borne) 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.

  3. Reactive solute transport in streams. 1. Development of an equilibrium- based model

    USGS Publications Warehouse

    Runkel, R.L.; Bencala, K.E.; Broshears, R.E.; Chapra, S.C.

    1996-01-01

    An equilibrium-based solute transport model is developed for the simulation of trace metal fate and transport in streams. The model is formed by coupling a solute transport model with a chemical equilibrium submodel based on MINTEQ. The solute transport model considers the physical processes of advection, dispersion, lateral inflow, and transient storage, while the equilibrium submodel considers the speciation and complexation of aqueous species, precipitation/dissolution and sorption. Within the model, 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 (water-borne) 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.

  4. NONUNIFORM AND UNSTEADY SOLUTE TRANSPORT IN FURROW IRRRIGATION: I. MODEL DEVELOPMENT

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A model for solving a cross-section-averaged Advection-Dispersion Equation (ADE) was developed to simulate the transport of fertilizer in furrow irrigation. The advection and dispersion processes were solved separately at each time step by implementing a method of characteristics with cubic spline i...

  5. Modeling solute transport through saturated zone ground water at 10 km scale: Example from the Yucca Mountain license application

    NASA Astrophysics Data System (ADS)

    Kelkar, Sharad; Ding, Mei; Chu, Shaoping; Robinson, Bruce A.; Arnold, Bill; Meijer, Arend; Eddebbarh, Al-Aziz

    2010-09-01

    This paper presents a study of solute transport through ground water in the saturated zone and the resulting breakthrough curves (BTCs), using a field-scale numerical model that incorporates the processes of advection, dispersion, matrix diffusion in fractured volcanic formations, sorption, and colloid-facilitated transport. Such BTCs at compliance boundaries are often used as performance measures for a site. The example considered here is that of the saturated zone study prepared for the Yucca Mountain license application. The saturated zone at this site occurs partly in volcanic, fractured rock formations and partly in alluvial formations. This paper presents a description of the site and the ground water flow model, the development of the conceptual model of transport, model uncertainties, model validation, and the influence of uncertainty in input parameters on the downstream BTCs at the Yucca Mountain site.

  6. Solute transport in groundwater

    NASA Astrophysics Data System (ADS)

    Dougherty, David E.

    Continued research interest in transport in the subsurface was demonstrated at the “Solute Transport in Groundwater” session held at the 1985 AGU Spring Meeting in Baltimore. This session, following on the heels of the very successful special symposium on “Coupling Geochemical and Hydrologic Models for Subsurface Solute Transport,” was organized by Lenny Konikow of the U.S. Geological Survey (USGS, Reston, Va.) and copresided by Steve Gorelick (USGS, Menlo Park, Calif.) and David Dougherty (Princeton University, Princeton, N.J.). Participation was strong, with 12 contributed papers and about 150 attendees. The papers addressed a wide variety of topics, ranging from the theoretical to the applied, from physics to numerical methods.

  7. One-Dimensional Transport with Inflow and Storage (OTIS): A Solute Transport Model for Streams and Rivers

    USGS Publications Warehouse

    Runkel, Robert L.

    1998-01-01

    OTIS is a mathematical simulation model used to characterize the fate and transport of water-borne solutes in streams and rivers. The governing equation underlying the model is the advection-dispersion equation with additional terms to account for transient storage, lateral inflow, first-order decay, and sorption. This equation and the associated equations describing transient storage and sorption are solved using a Crank-Nicolson finite-difference solution. OTIS may be used in conjunction with data from field-scale tracer experiments to quantify the hydrologic parameters affecting solute transport. This application typically involves a trial-and-error approach wherein parameter estimates are adjusted to obtain an acceptable match between simulated and observed tracer concentrations. Additional applications include analyses of nonconservative solutes that are subject to sorption processes or first-order decay. OTIS-P, a modified version of OTIS, couples the solution of the governing equation with a nonlinear regression package. OTIS-P determines an optimal set of parameter estimates that minimize the squared differences between the simulated and observed concentrations, thereby automating the parameter estimation process. This report details the development and application of OTIS and OTIS-P. Sections of the report describe model theory, input/output specifications, sample applications, and installation instructions.

  8. Dynamic typology of hydrothermal systems: competing effects of advection, dispersion and reactivity

    NASA Astrophysics Data System (ADS)

    Dolejs, David

    2016-04-01

    Genetic interpretation hydrothermal systems relies on recognition of (i) hydrothermal fluid source, (ii) fluid migration pathways, and (iii) deposition site identified by hydrothermal alteration and/or mineralization. Frequently, only the last object is of interest or accessible to direct observation, but constraints on the fluid source (volume) and pathways can be obtained from evaluation of the time-integrated fluid flux during hydrothermal event. Successful interpretation of the petrological record, that is, progress of alteration reactions, relies on identification of individual contributions arising from solute advection (to the deposition site), its lateral dispersion, and reaction efficiency. Although these terms are all applicable in a mass-conservation relationship within the framework of the transport theory, they are rarely considered simultaneously and their relative magnitudes evaluated. These phenomena operate on variable length and time scales, and may in turn provide insight into the system dynamics such as flow, diffusion and reaction rates, or continuous vs. episodic behavior of hydrothermal events. In addition, here we demonstrate that they also affect estimate of the net fluid flux, frequently by several orders of magnitude. The extent of alteration and mineralization reactions between the hydrothermal fluid and the host environment is determined by: (i) temperature, pressure or any other gradients across the mineralization site, (ii) magnitude of disequilibrium at inflow to the mineralization site, which is related to physico-chemical gradient between the fluid source and the mineralization site, and (iii) chemical redistribution (dispersion) within the mineralization site. We introduce quantitative mass-transport descriptors - Péclet and Damköhler II numbers - to introduce division into dispersion-dominated, advection-dominated and reaction-constrained systems. Dispersive systems are characterized by lateral solute redistribution, driven by

  9. A semi-analytical solution for simulating contaminant transport subject to chain-decay reactions.

    PubMed

    Sudicky, Edward A; Hwang, Hyoun-Tae; Illman, Walter A; Wu, Yu-Shu; Kool, Jan B; Huyakorn, Peter

    2013-01-01

    We present a set of new, semi-analytical solutions to simulate three-dimensional contaminant transport subject to first-order chain-decay reactions. The aquifer is assumed to be areally semi-infinite, but finite in thickness. The analytical solution can treat the transformation of contaminants into daughter products, leading to decay chains consisting of multiple contaminant species and various reaction pathways. The solution in its current form is capable of accounting for up to seven species and four decay levels. The complex pathways are represented by means of first-order decay and production terms, while branching ratios account for decay stoichiometry. Besides advection, dispersion, bio-chemical or radioactive decay and daughter product formation, the model also accounts for sorption of contaminants on the aquifer solid phase with each species having a different retardation factor. First-type contaminant boundary conditions are utilized at the source (x=0 m) and can be either constant-in-time for each species, or the concentration can be allowed to undergo first-order decay. The solutions are obtained by exponential Fourier, Fourier cosine and Laplace transforms. Limiting forms of the solutions can be obtained in closed form, but we evaluate the general solutions by numerically inverting the analytical solutions in exponential Fourier and Laplace transform spaces. Various cases are generated and the solutions are verified against the HydroGeoSphere numerical model.

  10. Anomalous Solute Transport in Saturated Porous Media: Linking Transport Model Parameters to Electrical and Nuclear Magnetic Resonance Properties

    NASA Astrophysics Data System (ADS)

    Swanson, R. D.; Binley, A. M.; Keating, K.; France, S.; Osterman, G. K.; Day-Lewis, F. D.; Singha, K.

    2013-12-01

    The advection-dispersion equation fails to describe non-Fickian solute transport in saturated porous media, necessitating the use of other models. The dual-domain mass transfer (DDMT) model partitions the total porosity into mobile and less-mobile domains with solute exchange between the domains; consequently, the DDMT model can produce a better fit to breakthrough curves (BTCs) in systems defined by more- and less-mobile components. However, direct experimental estimation of DDMT model parameters such as rate of exchange and the mobile and less-mobile porosities remains elusive. Consequently, model parameters are often calculated purely as a model fitting exercise. There is a clear need for material characterization techniques that can offer some insight into the pore space geometrical arrangement, particularly if such techniques can be extended to the field scale. Here, we interpret static direct-current (DC) resistivity, complex resistivity (CR) and nuclear magnetic resonance (NMR) geophysical measurements in the characterization of mass transfer parameters. We use two different samples of the zeolite clinoptilolite, a material shown to demonstrate solute mass transfer due to a significant intragranular porosity, along with glass beads as a control. We explore the relation between geophysical and DDMT parameters in conjunction with supporting material characterization methods. Our results reveal how these geophysical measurements can offer some insight into the pore structures controlling the observed anomalous transport behavior.

  11. CFEST Coupled Flow, Energy & Solute Transport Version CFEST005 Theory Guide

    SciTech Connect

    Freedman, Vicky L.; Chen, Yousu; Gupta, Sumant K.

    2005-11-01

    This document presents the mathematical theory implemented in the CFEST (Coupled Flow, Energy, and Solute Transport) simulator. The simulator is a three-dimensional finite element model that can be used for evaluating flow and solute mass transport. Although the theory for thermal transport is presented in this guide, it has not yet been fully implemented in the simulator. The flow module is capable of simulating both confined and unconfined aquifer systems, as well as constant and variable density fluid flows. 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 concentration of a single dissolved chemical constituent are computed for advective and hydrodynamic transport, linear sorption represented by a retardation factor, and radioactive decay. 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. Mesh construction employs “collapsible”, hexahedral finite elements in a three-dimensional coordinate system. CFEST uses the Galerkin finite element method to convert the partial differential equations to algebraic form. To solve the coupled equations for momentum, solute and heat transport, either Picard or Newton-Raphson iterative schemes are used to treat nonlinearities. An upstream weighted residual finite-element method is used to solve the advective-dispersive transport and energy transfer equations, which circumvents problems of numerical oscillation problems. Matrix solutions of the flow and transport problems are performed using efficient iterative solvers available in ITPACK and PETSc, solvers that are available in the public domain. These solvers are based on the preconditioned conjugate gradient and ORTHOMIN methods for symmetric and a nonsymmetric matrices, respectively.

  12. Final Technical Report - Investigation into the Relationship between Heterogeneity and Heavy-Tailed Solute Transport

    SciTech Connect

    Weissmann, Gary S

    2013-12-06

    The objective of this project was to characterize the influence that naturally complex geologic media has on anomalous dispersion and to determine if the nature of dispersion can be estimated from the underlying heterogeneous media. The UNM portion of this project was to provide detailed representations of aquifer heterogeneity through producing highly-resolved models of outcrop analogs to aquifer materials. This project combined outcrop-scale heterogeneity characterization (conducted at the University of New Mexico), laboratory experiments (conducted at Sandia National Laboratory), and numerical simulations (conducted at Sandia National Laboratory and Colorado School of Mines). The study was designed to test whether established dispersion theory accurately predicts the behavior of solute transport through heterogeneous media and to investigate the relationship between heterogeneity and the parameters that populate these models. The dispersion theory tested by this work was based upon the fractional advection-dispersion equation (fADE) model. Unlike most dispersion studies that develop a solute transport model by fitting the solute transport breakthrough curve, this project explored the nature of the heterogeneous media to better understand the connection between the model parameters and the aquifer heterogeneity. We also evaluated methods for simulating the heterogeneity to see whether these approaches (e.g., geostatistical) could reasonably replicate realistic heterogeneity. The UNM portion of this study focused on capturing realistic geologic heterogeneity of aquifer analogs using advanced outcrop mapping methods.

  13. Upscaling solute transport in naturally fractured porous media with the continuous time random walk method

    SciTech Connect

    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.

  14. A comparison of solute-transport solution techniques and their effect on sensitivity analysis and inverse modeling results

    USGS Publications Warehouse

    Mehl, S.; Hill, M.C.

    2001-01-01

    Five common numerical techniques for solving the advection-dispersion equation (finite difference, predictor corrector, total variation diminishing, method of characteristics, and modified method of characteristics) were tested using simulations of a controlled conservative tracer-test experiment through a heterogeneous, two-dimensional sand tank. The experimental facility was constructed using discrete, randomly distributed, homogeneous blocks of five sand types. This experimental model provides an opportunity to compare the solution techniques: the heterogeneous hydraulic-conductivity distribution of known structure can be accurately represented by a numerical model, and detailed measurements can be compared with simulated concentrations and total flow through the tank. The present work uses this opportunity to investigate how three common types of results - simulated breakthrough curves, sensitivity analysis, and calibrated parameter values - change in this heterogeneous situation given the different methods of simulating solute transport. The breakthrough curves show that simulated peak concentrations, even at very fine grid spacings, varied between the techniques because of different amounts of numerical dispersion. Sensitivity-analysis results revealed: (1) a high correlation between hydraulic conductivity and porosity given the concentration and flow observations used, so that both could not be estimated; and (2) that the breakthrough curve data did not provide enough information to estimate individual values of dispersivity for the five sands. This study demonstrates that the choice of assigned dispersivity and the amount of numerical dispersion present in the solution technique influence estimated hydraulic conductivity values to a surprising degree.

  15. Modeling variably saturated subsurface solute transport with MODFLOW-UZF and MT3DMS

    USGS Publications Warehouse

    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.

  16. Modeling variably saturated subsurface solute transport with MODFLOW-UZF and MT3DMS.

    PubMed

    Morway, Eric D; Niswonger, Richard G; Langevin, Christian D; Bailey, Ryan T; Healy, Richard W

    2013-03-01

    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.

  17. Use of the generalized integral transform method for solving equations of solute transport in porous media

    NASA Astrophysics Data System (ADS)

    Liu, Chongxuan; Szecsody, Jim E.; Zachara, John M.; Ball, William P.

    The generalized integral transform technique (GITT) is applied to solve the one-dimensional advection-dispersion equation (ADE) in heterogeneous porous media coupled with either linear or nonlinear sorption and decay. When both sorption and decay are linear, analytical solutions are obtained using the GITT for one-dimensional ADEs with spatially and temporally variable flow and dispersion coefficient and arbitrary initial and boundary conditions. When either sorption or decay is nonlinear the solutions to ADEs with the GITT are hybrid analytical-numerical. In both linear and nonlinear cases, the forward and inverse integral transforms for the problems described in the paper are apparent and straightforward. Some illustrative examples with linear sorption and decay are presented to demonstrate the application and check the accuracy of the derived analytical solutions. The derived hybrid analytical-numerical solutions are checked against a numerical approach and demonstratively applied to a nonlinear transport example, which simulates a simplified system of iron oxide bioreduction with nonlinear sorption and nonlinear reaction kinetics.

  18. Anomalous solute transport in saturated porous media: Relating transport model parameters to electrical and nuclear magnetic resonance properties

    NASA Astrophysics Data System (ADS)

    Swanson, Ryan D.; Binley, Andrew; Keating, Kristina; France, Samantha; Osterman, Gordon; Day-Lewis, Frederick D.; Singha, Kamini

    2015-02-01

    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.

  19. Simulation and analysis of solute transport in 2D fracture/pipe networks: the SOLFRAC program.

    PubMed

    Bodin, Jacques; Porel, Gilles; Delay, Fred; Ubertosi, Fabrice; Bernard, Stéphane; de Dreuzy, Jean-Raynald

    2007-01-05

    The Time Domain Random Walk (TDRW) method has been recently developed by Delay and Bodin [Delay, F. and Bodin, J., 2001. Time domain random walk method to simulate transport by advection-dispersion and matrix diffusion in fracture networks. Geophys. Res. Lett., 28(21): 4051-4054.] and Bodin et al. [Bodin, J., Porel, G. and Delay, F., 2003c. Simulation of solute transport in discrete fracture networks using the time domain random walk method. Earth Planet. Sci. Lett., 6566: 1-8.] for simulating solute transport in discrete fracture networks. It is assumed that the fracture network can reasonably be represented by a network of interconnected one-dimensional pipes (i.e. flow channels). Processes accounted for are: (1) advection and hydrodynamic dispersion in the channels, (2) matrix diffusion, (3) diffusion into stagnant zones within the fracture planes, (4) sorption reactions onto the fracture walls and in the matrix, (5) linear decay, and (6) mass sharing at fracture intersections. The TDRW method is handy and very efficient in terms of computation costs since it allows for the one-step calculation of the particle residence time in each bond of the network. This method has been programmed in C++, and efforts have been made to develop an efficient and user-friendly software, called SOLFRAC. This program is freely downloadable at the URL (labo.univ-poitiers.fr/hydrasa/intranet/telechargement.htm). It calculates solute transport into 2D pipe networks, while considering different types of injections and different concepts of local dispersion within each flow channel. Post-simulation analyses are also available, such as the mean velocity or the macroscopic dispersion at the scale of the entire network. The program may be used to evaluate how a given transport mechanism influences the macroscopic transport behaviour of fracture networks. It may also be used, as is the case, e.g., with analytical solutions, to interpret laboratory or field tracer test experiments performed

  20. Derivation of a Multiparameter Gamma Model for Analyzing the Residence-Time Distribution Function for Nonideal Flow Systems as an Alternative to the Advection-Dispersion Equation

    DOE PAGES

    Embry, Irucka; Roland, Victor; Agbaje, Oluropo; ...

    2013-01-01

    A new residence-time distribution (RTD) function has been developed and applied to quantitative dye studies as an alternative to the traditional advection-dispersion equation (AdDE). The new method is based on a jointly combined four-parameter gamma probability density function (PDF). The gamma residence-time distribution (RTD) function and its first and second moments are derived from the individual two-parameter gamma distributions of randomly distributed variables, tracer travel distance, and linear velocity, which are based on their relationship with time. The gamma RTD function was used on a steady-state, nonideal system modeled as a plug-flow reactor (PFR) in the laboratory to validate themore » effectiveness of the model. The normalized forms of the gamma RTD and the advection-dispersion equation RTD were compared with the normalized tracer RTD. The normalized gamma RTD had a lower mean-absolute deviation (MAD) (0.16) than the normalized form of the advection-dispersion equation (0.26) when compared to the normalized tracer RTD. The gamma RTD function is tied back to the actual physical site due to its randomly distributed variables. The results validate using the gamma RTD as a suitable alternative to the advection-dispersion equation for quantitative tracer studies of non-ideal flow systems.« less

  1. Mixing-Driven Equilibrium Reactions in Multidimensional Fractional Advection Dispersion Systems

    PubMed Central

    Bolster, Diogo; Benson, David A; Meerschaert, MM; Baeumer, Boris

    2013-01-01

    We study instantaneous, mixing-driven, bimolecular equilibrium reactions in a system where transport is governed by a multidimensional space fractional dispersion equation. The superdiffusive, nonlocal nature of the system causes the location and magnitude of reactions that take place to change significantly from a classical Fickian diffusion model. In particular, regions where reaction rates would be zero for the Fickian case become regions where the maximum reaction rate occurs when anomalous dispersion operates. We also study a global metric of mixing in the system, the scalar dissipation rate and compute its asymptotic scaling rates analytically. The scalar dissipation rate scales asymptotically as t−(d+α)/α, where d is the number of spatial dimensions and α is the fractional derivative exponent. PMID:24223468

  2. Eulerian-Lagrangian numerical scheme for simulating advection, dispersion, and transient storage in streams and a comparison of numerical methods

    USGS Publications Warehouse

    Cox, T.J.; Runkel, R.L.

    2008-01-01

    Past applications of one-dimensional advection, dispersion, and transient storage zone models have almost exclusively relied on a central differencing, Eulerian numerical approximation to the nonconservative form of the fundamental equation. However, there are scenarios where this approach generates unacceptable error. A new numerical scheme for this type of modeling is presented here that is based on tracking Lagrangian control volumes across a fixed (Eulerian) grid. Numerical tests are used to provide a direct comparison of the new scheme versus nonconservative Eulerian numerical methods, in terms of both accuracy and mass conservation. Key characteristics of systems for which the Lagrangian scheme performs better than the Eulerian scheme include: nonuniform flow fields, steep gradient plume fronts, and pulse and steady point source loadings in advection-dominated systems. A new analytical derivation is presented that provides insight into the loss of mass conservation in the nonconservative Eulerian scheme. This derivation shows that loss of mass conservation in the vicinity of spatial flow changes is directly proportional to the lateral inflow rate and the change in stream concentration due to the inflow. While the nonconservative Eulerian scheme has clearly worked well for past published applications, it is important for users to be aware of the scheme's limitations. ?? 2008 ASCE.

  3. Global sensitivity analysis and Bayesian parameter inference for solute transport in porous media colonized by biofilms

    NASA Astrophysics Data System (ADS)

    Younes, A.; Delay, F.; Fajraoui, N.; Fahs, M.; Mara, T. A.

    2016-08-01

    The concept of dual flowing continuum is a promising approach for modeling solute transport in porous media that includes biofilm phases. The highly dispersed transit time distributions often generated by these media are taken into consideration by simply stipulating that advection-dispersion transport occurs through both the porous and the biofilm phases. Both phases are coupled but assigned with contrasting hydrodynamic properties. However, the dual flowing continuum suffers from intrinsic equifinality in the sense that the outlet solute concentration can be the result of several parameter sets of the two flowing phases. To assess the applicability of the dual flowing continuum, we investigate how the model behaves with respect to its parameters. For the purpose of this study, a Global Sensitivity Analysis (GSA) and a Statistical Calibration (SC) of model parameters are performed for two transport scenarios that differ by the strength of interaction between the flowing phases. The GSA is shown to be a valuable tool to understand how the complex system behaves. The results indicate that the rate of mass transfer between the two phases is a key parameter of the model behavior and influences the identifiability of the other parameters. For weak mass exchanges, the output concentration is mainly controlled by the velocity in the porous medium and by the porosity of both flowing phases. In the case of large mass exchanges, the kinetics of this exchange also controls the output concentration. The SC results show that transport with large mass exchange between the flowing phases is more likely affected by equifinality than transport with weak exchange. The SC also indicates that weakly sensitive parameters, such as the dispersion in each phase, can be accurately identified. Removing them from calibration procedures is not recommended because it might result in biased estimations of the highly sensitive parameters.

  4. Water and solute transport parameterization form a soil of semi-arid region of northeast of Brazil

    NASA Astrophysics Data System (ADS)

    Netto, A. M.; Antonino, A. C. D.; Lima, L. J. S.; Angulo-Jaramillo, R.; Montenegro, S. M. G.

    2003-04-01

    Water and solute transfer modeling needs the transport parameters as input data. Classical theory, Fickian advection-dispersion, is not successfully applied to account for solute transport along with preferential flow pathways. This transport may be operating at scales smaller than spatial discretization used in a field scale numerical model. An axisymetric infiltration using a single ring infiltrometer along with a conservative tracer (Cl^-) is an efficient and easy method to use in fields tools. Two experiments were accomplished on a Yellow Oxissol in a 4,0 ha area in Centro de Ciências Agrárias, UFPB, Areia City, Paraíba State, Brazil (6^o 58'S, 35o 41'W and 645 m), in a 50 × 50 m grid (16 points): a) cultivated with beans (Vigna Unguinculata (L.) Walp.), and b) bare soil after harvest. The unsaturated hydraulic conductivity K and sorptivity S were estimated from short time or long time analysis of cumulative three dimensional infiltration. Single tracer technique was used for the calculation of mobile water fraction f by measuring the solute concentration underneath the ring infiltrometer, at the end of infiltration. A solute transfer numerical model, based on the mobile-immobile water concept, was used for the determination of the solute transport parameters. The mobile water fraction f, the dispersion coefficient D, and the mass transfer coefficient α, were estimated from both the measured infiltration depth and concentration profile underneath the ring infiltrometer. The presence of preferential flow was due to the soil nature (aggregated soil, macropores, flux instabilities and heterogeneity). The lateral solute transfer is not only diffusive but also convective. The parameters deduced from the numerical model associated to the solute profile concentration are representative of this phenomenon.

  5. The response of complex and direct-current electrical measurements in the presence of multirate solute transport

    NASA Astrophysics Data System (ADS)

    Swanson, R. D.; Binley, A.; Keating, K.; Haggerty, R.; Day-Lewis, F. D.; Singha, K.

    2012-12-01

    The advection-dispersion equation cannot describe non-Fickian solute transport in saturated porous media and often fails to match breakthrough curve (BTC) history. The multirate mass transfer (MRMT) model partitions the total porosity into immobile and mobile domains with a distribution of exchange rates between the two domains; consequently, the MRMT model produces a better fit to BTCs. However, direct experimental support for the MRMT model parameters remains elusive and model parameters are often estimated a posteriori by an optimization procedure. Complex and direct-current electrical resistivity methods have been used to monitor non-Fickian solute transport in groundwater, but the electrical response has yet to be interpreted within a multirate framework. Here, we investigate electrical geophysical methods to improve our characterization of MRMT parameters. We explore the electrical response in two separate steps: (1) we simulate the direct current electrical response within a multirate framework in order to estimate, from temporal moments, an effective, single rate of mass transfer, and; (2) we develop an empirical link between length scales of multirate mass transfer and length scales of relaxation time distributions measured from complex resistivity at the laboratory scale for the zeolite clinoptilolite which has previously demonstrated MRMT behavior. We use nuclear magnetic resonance measurements of the zeolite to estimate the mobile and immobile porosity of the sample. This study demonstrates our approach at the laboratory scale and offers future perspectives for field investigations.

  6. An analytical model for solute transport in an infiltration tracer test in soil with a shallow groundwater table

    NASA Astrophysics Data System (ADS)

    Liang, Ching-Ping; Hsu, Shao-Yiu; Chen, Jui-Sheng

    2016-09-01

    It is recommended that an in-situ infiltration tracer test is considered for simultaneously determining the longitudinal and transverse dispersion coefficients in soil. Analytical solutions have been derived for two-dimensional advective-dispersive transport in a radial geometry in the literature which can be used for interpreting the result of such a tracer test. However, these solutions were developed for a transport domain with an unbounded-radial extent and an infinite thickness of vadose zone which might not be realistically manifested in the actual solute transport during a field infiltration tracer test. Especially, the assumption of infinite thickness of vadose zone should be invalid for infiltration tracer tests conducted in soil with a shallow groundwater table. This paper describes an analytical model for interpreting the results of an infiltration tracer test based on improving the transport domain with a bounded-radial extent and a finite thickness of vadose zone. The analytical model is obtained with the successive application of appropriate integral transforms and their corresponding inverse transforms. A comparison of the newly derived analytical solution against the previous analytical solutions in which two distinct sets of radial extent and thickness of vadose zone are considered is conducted to determine the influence of the radial and exit boundary conditions on the solute transport. The results shows that both the radial and exit boundary conditions substantially affect the trailing segment of the breakthrough curves for a soil medium with large dispersion coefficients. Previous solutions derived for a transport domain with an unbounded-radial and an infinite thickness of vadose zone boundary conditions give lower concentration predictions compared with the proposed solution at late times. Moreover, the differences between two solutions are amplified when the observation positions are near the groundwater table. In addition, we compare our

  7. Integrodifferential formulations of the continuous-time random walk for solute transport subject to bimolecular A+B→0 reactions: From micro- to mesoscopic.

    PubMed

    Hansen, Scott K; Berkowitz, Brian

    2015-03-01

    We develop continuous-time random walk (CTRW) equations governing the transport of two species that annihilate when in proximity to one another. In comparison with catalytic or spontaneous transformation reactions that have been previously considered in concert with CTRW, both species have spatially variant concentrations that require consideration. We develop two distinct formulations. The first treats transport and reaction microscopically, potentially capturing behavior at sharp fronts, but at the cost of being strongly nonlinear. The second, mesoscopic, formulation relies on a separation-of-scales technique we develop to separate microscopic-scale reaction and upscaled transport. This simplifies the governing equations and allows treatment of more general reaction dynamics, but requires stronger smoothness assumptions of the solution. The mesoscopic formulation is easily tractable using an existing solution from the literature (we also provide an alternative derivation), and the generalized master equation (GME) for particles undergoing A+B→0 reactions is presented. We show that this GME simplifies, under appropriate circumstances, to both the GME for the unreactive CTRW and to the advection-dispersion-reaction equation. An additional major contribution of this work is on the numerical side: to corroborate our development, we develop an indirect particle-tracking-partial-integro-differential-equation (PIDE) hybrid verification technique which could be applicable widely in reactive anomalous transport. Numerical simulations support the mesoscopic analysis.

  8. Generic Procedure for Coupling the PHREEQC Geochemical Modeling Framework with Flow and Solute Transport Simulators

    NASA Astrophysics Data System (ADS)

    Wissmeier, L. C.; Barry, D. A.

    2009-12-01

    Computer simulations of water availability and quality play an important role in state-of-the-art water resources management. However, many of the most utilized software programs focus either on physical flow and transport phenomena (e.g., MODFLOW, MT3DMS, FEFLOW, HYDRUS) or on geochemical reactions (e.g., MINTEQ, PHREEQC, CHESS, ORCHESTRA). In recent years, several couplings between both genres of programs evolved in order to consider interactions between flow and biogeochemical reactivity (e.g., HP1, PHWAT). Software coupling procedures can be categorized as ‘close couplings’, where programs pass information via the memory stack at runtime, and ‘remote couplings’, where the information is exchanged at each time step via input/output files. The former generally involves modifications of software codes and therefore expert programming skills are required. We present a generic recipe for remotely coupling the PHREEQC geochemical modeling framework and flow and solute transport (FST) simulators. The iterative scheme relies on operator splitting with continuous re-initialization of PHREEQC and the FST of choice at each time step. Since PHREEQC calculates the geochemistry of aqueous solutions in contact with soil minerals, the procedure is primarily designed for couplings to FST’s for liquid phase flow in natural environments. It requires the accessibility of initial conditions and numerical parameters such as time and space discretization in the input text file for the FST and control of the FST via commands to the operating system (batch on Windows; bash/shell on Unix/Linux). The coupling procedure is based on PHREEQC’s capability to save the state of a simulation with all solid, liquid and gaseous species as a PHREEQC input file by making use of the dump file option in the TRANSPORT keyword. The output from one reaction calculation step is therefore reused as input for the following reaction step where changes in element amounts due to advection/dispersion

  9. Prediction of solute transport during peritoneal dialysis.

    PubMed

    Hirszel, P; Lasrich, M; Maher, J M; Maher, J F

    1979-08-01

    Solute transport, predominantly diffusion, across the peritoneum correlates inversely with molecular weight. Provided that the solute is water soluble, not protein bound, not of unusual density, not ionized, does not have a large hydration shell, and is transported from plasma to dialysate, the peritoneal clearance is predictable over the molecular weight range from 60 to 11,000 daltons. Transport reates that deviate from the predicted can be explained by known physical properties of particular solutes.

  10. Modèle d'aide à la gestion des eaux souterraines (MAGES). 2. Validation numérique du modèle de transport

    NASA Astrophysics Data System (ADS)

    Porel, Gilles; Delay, Frédérick; Banton, Olivier

    1998-11-01

    MAGES is a software developed at INRS-Eau (Canada) for forecasting pollution hazards in groundwater. The transport model uses stationary truncated temporal moment equations instead of the classical time dependent advection-dispersion equation. The aim of this work is to propose a numerical validation of the method by comparison with both analytical solutions in homogeneous medium and a sophisticated lagrangian model of transport in heterogeneous medium. It is shown that the temporal moment equations perform well, while saving on computation. This gives MAGES some abilities in water management problems which compensate for the poor knowledge of the transport parameters through numerous stochastic simulations.

  11. Exploring Lithologic Controls on Solute Transport at the Shale Hills Critical Zone Observatory (Invited)

    NASA Astrophysics Data System (ADS)

    Singha, K.; Kuntz, B. W.; Toran, L.

    2009-12-01

    tests, observed transport behavior appears inconsistent with the standard advective-dispersive model. Results from a conservative NaBr tracer test conducted in 10-cm undisturbed soil columns from the SHCZO include concentration histories that show long tailing behavior and non-Gaussian breakthrough, indicative perhaps of dual-domain solute transport between preferential pathways and a less permeable matrix. A numerical model of the soil column indicates than a mass transfer rate of approximately 1/hr with a mobile-domain porosity of 0.3 and an immobile-domain porosity of 0.35 can explain the data. The total porosity is consistent with previously published estimates of total porosity. At the field scale, a NaBr tracer test conducted within the Rose Hill Shale shows similar behavior, and mass transfer is needed to explain those concentration histories. These data indicate that solutes transfer between the highly permeable macropores and fractures and into the soil/shale matrix, and that diffusion is a transport property of concern in predicting solute transport behavior over the long term at the SHCZO. Both soils and shale material at this site show preferential pathways that may be indicative of dual-domain solute transport behavior.

  12. Numerical investigations of solute transport in bimodal porous media under dynamic boundary conditions

    NASA Astrophysics Data System (ADS)

    Cremer, Clemens; Neuweiler, Insa; Bechtold, Michel; Vanderborght, Jan

    2016-04-01

    behavior depends on the magnitude of the flow rates and hydraulic conductivity curves of the materials. Based on the unsaturated hydraulic conductivity at the intersection point of conductivity curves, we are able to define an estimate of flow rates at which the dynamic of the upper boundary condition significantly alters preferential flow paths through the system. If flow rates are low, with regard to the materials hydraulic conductivity at the intersection point, the influence of dynamic boundary conditions is small. If flow rates are in the range of the unsaturated hydraulic conductivity at intersection, solute is trapped in the fine material during upwards transport, which results in a more pronounced tailing. For flow rates exceeding the intersection conductivity, a redistribution at the soil surface can occur. References: Bechtold, M., S. Haber-Pohlmeier, J. Vanderborght, A. Pohlmeier, T.P.A. Ferré and H. Veerecken. 2011a. Near-surface solute redistribution during evaporation. Geophys. Res. Lett., 38, L17404, doi:10.1029/2011GL048147. Bechtold, M., J. Vanderborght, O. Ippisch and H. Vereecken. 2011b. Efficient random walk particle tracking algorithm for advective dispersive transport in media with discontinuous dispersion coefficients and water contents. Water Resour. Res., 47, W10526, doi: 10.1029/2010WR010267. Ippisch O., H.-J. Vogel and P. Bastian. 2006. Validity limits fort he van Genuchten-Mualem model and implications for parameter estimation and numerical simulation. Adv. Water Resour., 29, 1780-1789, doi: 10.1016/j.advwateres.2005.12.011. Lehmann, P. and D. Or. 2009. Evaporation and capillary coupling across vertical textural contrasts in porous media. Phys. Rev. E, 80, 046318, doi:10.1103/PhysRevE.80.046318.

  13. Solute transport by a volatile solvent

    NASA Astrophysics Data System (ADS)

    Brown, Glenn O.; McWhorter, David B.

    1990-05-01

    In relatively dry porous media, water is transported as both liquid and vapor. Exact knowledge of this two-phase transport, and the phase transfer of water associated with it, is required for the prediction of solute transport. Combined liquid and vapor transport is examined starting from basic principles. An analytic solution is presented for the case of isothermal, transient, one-dimensional sorption of water with constant liquid content boundaries. A relation is also obtained for the evaporation and condensation within the flow field. A numerical solution for the solute transport is obtained which takes maximum advantage of the analytical flow solution. Using the properties of Lurgi retorted oil shale, several special cases are examined which show the relative importance of the separate phases in the total transport of water, the effects on the phase transfer, and the solute transport. It is expected that these methods and results can be applied to other problems in multiple phase transport, such as hazardous waste disposal and pesticide transport.

  14. Water and solute transport in agricultural soils predicted by volumetric clay and silt contents

    NASA Astrophysics Data System (ADS)

    Karup, Dan; Moldrup, Per; Paradelo, Marcos; Katuwal, Sheela; Norgaard, Trine; Greve, Mogens H.; de Jonge, Lis W.

    2016-09-01

    Solute transport through the soil matrix is non-uniform and greatly affected by soil texture, soil structure, and macropore networks. Attempts have been made in previous studies to use infiltration experiments to identify the degree of preferential flow, but these attempts have often been based on small datasets or data collected from literature with differing initial and boundary conditions. This study examined the relationship between tracer breakthrough characteristics, soil hydraulic properties, and basic soil properties. From six agricultural fields in Denmark, 193 intact surface soil columns 20 cm in height and 20 cm in diameter were collected. The soils exhibited a wide range in texture, with clay and organic carbon (OC) contents ranging from 0.03 to 0.41 and 0.01 to 0.08 kg kg- 1, respectively. All experiments were carried out under the same initial and boundary conditions using tritium as a conservative tracer. The breakthrough characteristics ranged from being near normally distributed to gradually skewed to the right along with an increase in the content of the mineral fines (particles ≤ 50 μm). The results showed that the mineral fines content was strongly correlated to functional soil structure and the derived tracer breakthrough curves (BTCs), whereas the OC content appeared less important for the shape of the BTC. Organic carbon was believed to support the stability 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. Predicted tracer concentration breakthrough points as a function of time up to 50% of applied tracer mass could be well fitted to an analytical solution to the classical advection-dispersion equation. Both cumulative tracer mass and concentration as a function of time were well predicted from the simple inputs of bulk density, clay and silt contents, and applied tracer

  15. Geoelectrical Evidence of Bicontinuum Transport in Ground Water

    NASA Astrophysics Data System (ADS)

    Singha, K.; Day-Lewis, F. D.; Lane, J. W.

    2007-12-01

    The fate and transport of chemicals in ground water is commonly described by advection and dispersion processes. In many settings, however, observed transport behavior appears inconsistent with the standard advective-dispersive model; instead, concentration histories show long tailing behavior, non-Gaussian breakthrough, and/or rebound after pumping for mass removal has ceased. These phenomena have prompted the consideration of dual-domain, rate-limited mass transfer (RLMT) as a controlling process. Determination of parameters describing mass-transfer between mobile and immobile domains - or even verifying the occurrence of RLMT - is problematic because geochemical data-collection methods preferentially sample the mobile component of the pore space. We present direct evidence of RLMT at the field scale during an aquifer storage and recovery experiment. We observe a hysteretic relation between measurements of pore-fluid conductivity (from borehole fluid samples) and bulk earth conductivity (from borehole electrical-resistivity). This hysteresis contradicts advective-dispersive transport and the standard petrophysical model relating pore-fluid and bulk conductivity, but can be explained by bicontinuum transport models that include first-order RLMT. Using a simple model, we demonstrate that geoelectrical methods can be used to bound estimates of mass transfer-rates and immobile porosity that are otherwise difficult to estimate in situ. These findings suggest that RLMT is one of the fundamental processes controlling solute transport and the efficiency of aquifer remediation, and suggest that similar analyses in other geologic settings may help evaluate the prevalence of RLMT.

  16. Coupling the advection-dispersion equation with fully kinetic reversible/irreversible sorption terms to model radiocesium soil profiles in Fukushima Prefecture.

    PubMed

    Kurikami, Hiroshi; Malins, Alex; Takeishi, Minoru; Saito, Kimiaki; Iijima, Kazuki

    2017-02-17

    Radiocesium is an important environmental contaminant in fallout from nuclear reactor accidents and atomic weapons testing. A modified Diffusion-Sorption-Fixation (mDSF) model, based on the advection-dispersion equation, is proposed to describe the vertical migration of radiocesium in soils following fallout. The model introduces kinetics for the reversible binding of radiocesium. We test the model by comparing its results to depth profiles measured in Fukushima Prefecture, Japan, since 2011. The results from the mDSF model are a better fit to the measurement data (as quantified by R(2)) than results from a simple diffusion model and the original DSF model. The introduction of reversible sorption kinetics means that the exponential-shape depth distribution can be reproduced immediately following fallout. The initial relaxation mass depth of the distribution is determined by the diffusion length, which depends on the distribution coefficient, sorption rate and dispersion coefficient. The mDSF model captures the long tails of the radiocesium distribution at large depths, which are caused by different rates for kinetic sorption and desorption. The mDSF model indicates that depth distributions displaying a peak in activity below the surface are possible for soils with high organic matter content at the surface. The mDSF equations thus offers a physical basis for various types of radiocesium depth profiles observed in contaminated environments.

  17. Electrofuels: Versatile Transportation Energy Solutions

    SciTech Connect

    2010-07-01

    Electrofuels Project: ARPA-E’s Electrofuels Project is using microorganisms to create liquid transportation fuels in a new and different way that could be up to 10 times more energy efficient than current biofuel production methods. ARPA-E is the only U.S. government agency currently funding research on Electrofuels.

  18. Performance Analysis of Solution Transportation Absorption Chiller

    NASA Astrophysics Data System (ADS)

    Kiani, Behdad; Hamamoto, Yoshinori; Akisawa, Atsushi; Kashiwagi, Takao

    Thermally activated advanced absorption cycles are considered promising candidates to replace CFCs, HCFCs and HFCs for residential and commercial applications. In such absorption systems, it is desirable to utilize the waste heat from industries for heating and cooling applications in commercial and residential sectors. For this purpose, it is necessary to transport energy over some distance because the waste heat source and demand are generally located apart from each other. Transportation of steam, hot water or chilled water requires high construction costs for insulation. There is an efficient method of energy transportation using absorption system called “ Solution Transportation Absorption System (STA)”. The solution is transported at an ambient temperature so that tube-insulations not required. This paper shows the simulation of the abovementioned system and the optimal result, using mathematical optimization. The optimum system with industry‧s waste heat utilization is obtained. At the end, the effect on the pollution emission and energy conservation is obtained.

  19. Harnessing Solute Carrier Transporters for Precision Oncology.

    PubMed

    Nyquist, Michael D; Prasad, Bhagwat; Mostaghel, Elahe A

    2017-03-28

    Solute Carrier (SLC) transporters are a large superfamily of transmembrane carriers involved in the regulated transport of metabolites, nutrients, ions and drugs across cellular membranes. A subset of these solute carriers play a significant role in the cellular uptake of many cancer therapeutics, ranging from chemotherapeutics such as antimetabolites, topoisomerase inhibitors, platinum-based drugs and taxanes to targeted therapies such as tyrosine kinase inhibitors. SLC transporters are co-expressed in groups and patterns across normal tissues, suggesting they may comprise a coordinated regulatory circuit serving to mediate normal tissue functions. In cancer however, there are dramatic changes in expression patterns of SLC transporters. This frequently serves to feed the increased metabolic demands of the tumor cell for amino acids, nucleotides and other metabolites, but also presents a therapeutic opportunity, as increased transporter expression may serve to increase intracellular concentrations of substrate drugs. In this review, we examine the regulation of drug transporters in cancer and how this impacts therapy response, and discuss novel approaches to targeting therapies to specific cancers via tumor-specific aberrations in transporter expression. We propose that among the oncogenic changes in SLC transporter expression there exist emergent vulnerabilities that can be exploited therapeutically, extending the application of precision medicine from tumor-specific drug targets to tumor-specific determinants of drug uptake.

  20. Analytical Solution for Reactive Solute Transport Considering Incomplete Mixing

    NASA Astrophysics Data System (ADS)

    Bellin, A.; Chiogna, G.

    2013-12-01

    The laboratory experiments of Gramling et al. (2002) showed that incomplete mixing at the pore scale exerts a significant impact on transport of reactive solutes and that assuming complete mixing leads to overestimation of product concentration in bimolecular reactions. We consider here the family of equilibrium reactions for which the concentration of the reactants and the product can be expressed as a function of the mixing ratio, the concentration of a fictitious non reactive solute. For this type of reactions we propose, in agreement with previous studies, to model the effect of incomplete mixing at scales smaller than the Darcy scale assuming that the mixing ratio is distributed within an REV according to a Beta distribution. We compute the parameters of the Beta model by imposing that the mean concentration is equal to the value that the concentration assumes at the continuum Darcy scale, while the variance decays with time as a power law. We show that our model reproduces the concentration profiles of the reaction product measured in the Gramling et al. (2002) experiments using the transport parameters obtained from conservative experiments and an instantaneous reaction kinetic. The results are obtained applying analytical solutions both for conservative and for reactive solute transport, thereby providing a method to handle the effect of incomplete mixing on multispecies reactive solute transport, which is simpler than other previously developed methods. Gramling, C. M., C. F. Harvey, and L. C. Meigs (2002), Reactive transport in porous media: A comparison of model prediction with laboratory visualization, Environ. Sci. Technol., 36(11), 2508-2514.

  1. Multilevel transport solution of LWR reactor cores

    SciTech Connect

    Jose Ignacio Marquez Damian; Cassiano R.E. de Oliveira; HyeonKae Park

    2008-09-01

    This work presents a multilevel approach for the solution of the transport equation in typical LWR assemblies and core configurations. It is based on the second-order, even-parity formulation of the transport equation, which is solved within the framework provided by the finite element-spherical harmonics code EVENT. The performance of the new solver has been compared with that of the standard conjugate gradient solver for diffusion and transport problems on structured and unstruc-tured grids. Numerical results demonstrate the potential of the multilevel scheme for realistic reactor calculations.

  2. Stochastic uncertainty analysis for solute transport in randomly heterogeneous media using a Karhunen-Loève-based moment equation approach

    USGS Publications Warehouse

    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.

  3. Geophysical monitoring of solute transport in dual-domain environments through laboratory experiments, field-scale solute tracer tests, and numerical simulation

    NASA Astrophysics Data System (ADS)

    Swanson, Ryan David

    The advection-dispersion equation (ADE) fails to describe non-Fickian solute transport breakthrough curves (BTCs) in saturated porous media in both laboratory and field experiments, necessitating the use of other models. The dual-domain mass transfer (DDMT) model partitions the total porosity into mobile and less-mobile domains with an exchange of mass between the two domains, and this model can reproduce better fits to BTCs in many systems than ADE-based models. However, direct experimental estimation of DDMT model parameters remains elusive and model parameters are often calculated a posteriori by an optimization procedure. Here, we investigate the use of geophysical tools (direct-current resistivity, nuclear magnetic resonance, and complex conductivity) to estimate these model parameters directly. We use two different samples of the zeolite clinoptilolite, a material shown to demonstrate solute mass transfer due to a significant internal porosity, and provide the first evidence that direct-current electrical methods can track solute movement into and out of a less-mobile pore space in controlled laboratory experiments. We quantify the effects of assuming single-rate DDMT for multirate mass transfer systems. We analyze pore structures using material characterization methods (mercury porosimetry, scanning electron microscopy, and X-ray computer tomography), and compare these observations to geophysical measurements. Nuclear magnetic resonance in conjunction with direct-current resistivity measurements can constrain mobile and less-mobile porosities, but complex conductivity may have little value in relation to mass transfer despite the hypothesis that mass transfer and complex conductivity lengths scales are related. Finally, we conduct a geoelectrical monitored tracer test at the Macrodispersion Experiment (MADE) site in Columbus, MS. We relate hydraulic and electrical conductivity measurements to generate a 3D hydraulic conductivity field, and compare to

  4. The solute carrier 6 family of transporters

    PubMed Central

    Bröer, Stefan; Gether, Ulrik

    2012-01-01

    The solute carrier 6 (SLC6) family of the human genome comprises transporters for neurotransmitters, amino acids, osmolytes and energy metabolites. Members of this family play critical roles in neurotransmission, cellular and whole body homeostasis. Malfunction or altered expression of these transporters is associated with a variety of diseases. Pharmacological inhibition of the neurotransmitter transporters in this family is an important strategy in the management of neurological and psychiatric disorders. This review provides an overview of the biochemical and pharmacological properties of the SLC6 family transporters. LINKED ARTICLES BJP published a themed section on Transporters in 2011. To view articles in this section visit http://onlinelibrary.wiley.com/doi/10.1111/bph.2011.164.issue-7/issuetoc PMID:22519513

  5. Solute transport through a deforming porous medium

    NASA Astrophysics Data System (ADS)

    Peters, Glen P.; Smith, David W.

    2002-06-01

    Solute transport through a porous medium is typically modelled assuming the porous medium is rigid. However, many applications exist where the porous medium is deforming, including, municipal landfill liners, mine tailings dams, and land subsidence. In this paper, mass balance laws are used to derive the flow and transport equations for a deforming porous medium. The equations are derived in both spatial and material co-ordinate systems. Solute transport through an engineered landfill liner is used as an illustrative example to show the differences between the theory for a rigid porous medium, and small and large deformation analysis of a deforming porous medium. It is found that the large deformation model produces shorter solute breakthrough times, followed by the small deformation model, and then the rigid porous medium model. It is also found that it is important to include spatial and temporal void ratio variations in the large deformation analysis. It is shown that a non-linear large deformation model may greatly reduce the solute breakthrough time, compared to a standard transport analysis typically employed by environmental engineers.

  6. iCFD: Interpreted Computational Fluid Dynamics - Degeneration of CFD to one-dimensional advection-dispersion models using statistical experimental design - The secondary clarifier.

    PubMed

    Guyonvarch, Estelle; Ramin, Elham; Kulahci, Murat; Plósz, Benedek Gy

    2015-10-15

    The present study aims at using statistically designed computational fluid dynamics (CFD) simulations as numerical experiments for the identification of one-dimensional (1-D) advection-dispersion models - computationally light tools, used e.g., as sub-models in systems analysis. The objective is to develop a new 1-D framework, referred to as interpreted CFD (iCFD) models, in which statistical meta-models are used to calculate the pseudo-dispersion coefficient (D) as a function of design and flow boundary conditions. The method - presented in a straightforward and transparent way - is illustrated using the example of a circular secondary settling tank (SST). First, the significant design and flow factors are screened out by applying the statistical method of two-level fractional factorial design of experiments. Second, based on the number of significant factors identified through the factor screening study and system understanding, 50 different sets of design and flow conditions are selected using Latin Hypercube Sampling (LHS). The boundary condition sets are imposed on a 2-D axi-symmetrical CFD simulation model of the SST. In the framework, to degenerate the 2-D model structure, CFD model outputs are approximated by the 1-D model through the calibration of three different model structures for D. Correlation equations for the D parameter then are identified as a function of the selected design and flow boundary conditions (meta-models), and their accuracy is evaluated against D values estimated in each numerical experiment. The evaluation and validation of the iCFD model structure is carried out using scenario simulation results obtained with parameters sampled from the corners of the LHS experimental region. For the studied SST, additional iCFD model development was carried out in terms of (i) assessing different density current sub-models; (ii) implementation of a combined flocculation, hindered, transient and compression settling velocity function; and (iii

  7. Numerical solution of the electron transport equation

    NASA Astrophysics Data System (ADS)

    Woods, Mark

    The electron transport equation has been solved many times for a variety of reasons. The main difficulty in its numerical solution is that it is a very stiff boundary value problem. The most common numerical methods for solving boundary value problems are symmetric collocation methods and shooting methods. Both of these types of methods can only be applied to the electron transport equation if the boundary conditions are altered with unrealistic assumptions because they require too many points to be practical. Further, they result in oscillating and negative solutions, which are physically meaningless for the problem at hand. For these reasons, all numerical methods for this problem to date are a bit unusual because they were designed to try and avoid the problem of extreme stiffness. This dissertation shows that there is no need to introduce spurious boundary conditions or invent other numerical methods for the electron transport equation. Rather, there already exists methods for very stiff boundary value problems within the numerical analysis literature. We demonstrate one such method in which the fast and slow modes of the boundary value problem are essentially decoupled. This allows for an upwind finite difference method to be applied to each mode as is appropriate. This greatly reduces the number of points needed in the mesh, and we demonstrate how this eliminates the need to define new boundary conditions. This method is verified by showing that under certain restrictive assumptions, the electron transport equation has an exact solution that can be written as an integral. We show that the solution from the upwind method agrees with the quadrature evaluation of the exact solution. This serves to verify that the upwind method is properly solving the electron transport equation. Further, it is demonstrated that the output of the upwind method can be used to compute auroral light emissions.

  8. Quasi 3D modeling of water flow and solute transport in vadose zone and groundwater

    NASA Astrophysics Data System (ADS)

    Yakirevich, A.; Kuznetsov, M.; Weisbrod, N.; Pachepsky, Y. A.

    2013-12-01

    The complexity of subsurface flow systems calls for a variety of concepts leading to the multiplicity of simplified flow models. One commonly used simplification is based on the assumption that lateral flow and transport in unsaturated zone is insignificant unless the capillary fringe is involved. In such cases the flow and transport in the unsaturated zone above groundwater level can be simulated as a 1D phenomenon, whereas through groundwater they are viewed as 2D or 3D phenomena. A new approach for a numerical scheme for 3D variably saturated flow and transport is presented. A Quasi-3D approach allows representing flow in the 'vadose zone - aquifer' system by a series of 1D Richards' equations solved in variably-saturated zone and by 3D-saturated flow equation in groundwater (modified MODFLOW code). The 1D and 3D equations are coupled at the phreatic surface in a way that aquifer replenishment is calculated using the Richards' equation, and solving for the moving water table does not require definition of the specific yield parameter. The 3D advection-dispersion equation is solved in the entire domain by the MT3D code. Using implicit finite differences approximation to couple processes in the vadose zone and groundwater provides mass conservation and increase of computational efficiency. The above model was applied to simulate the impact of irrigation on groundwater salinity in the Alto Piura aquifer (Northern Peru). Studies on changing groundwater quality in arid and semi-arid lands show that irrigation return flow is one of the major factors contributing to aquifer salinization. Existing mathematical models do not account explicitly for the solute recycling during irrigation on a daily scale. Recycling occurs throughout the unsaturated and saturated zones, as function of the solute mass extracted from pumping wells. Salt concentration in irrigation water is calculated at each time step as a function of concentration of both surface water and groundwater

  9. Solute transport in a synthetic fracture with one porous wall: fracture-matrix interaction

    NASA Astrophysics Data System (ADS)

    Michel, L.; Meheust, Y.; Caudal, J.; de Bremond D'Ars, J.; de Dreuzy, J.; Davy, P.

    2007-12-01

    length. The setup was validated by checking the conservation of the total dye quantity in the impermeable walls configuration, with comparison to classical advection-dispersion models (for different injection modes). The semi-permeable configuration was then investigated. Mass transfer between the fracture and the bounding porous matrix was measured, for various concentrations of the injected dye and with different geometries (roughness) of the fracture-matrix interface. Changing the overall flow rate allowed investigation of gravity effects, which are generally disregarded in theoretical studies. As recently suggested by Polak, Grader et al. (2003), they were observed to be significant. References: Detwiler, R. L. and H. Rajaram (2000), Water Resour.Res. 36(7):1611-1625 -- Dronfield, D. G. and S. E. Silliman (1993), Water Resour.Res. 29(10):3477-3483 -- Keller, A. A., P. V. Roberts, et al. (1999), Water Resour.Res. 35(1):55-63 -- Polak, A., A. S. Grader, et al. (2003), Hydrology 67:95-112 -- Roux, S., F. Plouraboué, et al. (1998), Transport in Porous Media 32: 97-116.

  10. Multi-component reactive transport modeling of natural attenuation of an acid groundwater plume at a uranium mill tailings site

    NASA Astrophysics Data System (ADS)

    Zhu, Chen; Hu, Fang Q.; Burden, David S.

    2001-11-01

    Natural attenuation of an acidic plume in the aquifer underneath a uranium mill tailings pond in Wyoming, USA was simulated using the multi-component reactive transport code PHREEQC. A one-dimensional model was constructed for the site and the model included advective-dispersive transport, aqueous speciation of 11 components, and precipitation-dissolution of six minerals. Transport simulation was performed for a reclamation scenario in which the source of acidic seepage will be terminated after 5 years and the plume will then be flushed by uncontaminated upgradient groundwater. Simulations show that successive pH buffer reactions with calcite, Al(OH) 3(a), and Fe(OH) 3(a) create distinct geochemical zones and most reactions occur at the boundaries of geochemical zones. The complex interplay of physical transport processes and chemical reactions produce multiple concentration waves. For SO 42- transport, the concentration waves are related to advection-dispersion, and gypsum precipitation and dissolution. Wave speeds from numerical simulations compare well to an analytical solution for wave propagation.

  11. Multi-component reactive transport modeling of natural attenuation of an acid groundwater plume at a uranium mill tailings site.

    PubMed

    Zhu, C; Hu, F Q; Burden, D S

    2001-11-01

    Natural attenuation of an acidic plume in the aquifer underneath a uranium mill tailings pond in Wyoming, USA was simulated using the multi-component reactive transport code PHREEQC. A one-dimensional model was constructed for the site and the model included advective-dispersive transport, aqueous speciation of 11 components, and precipitation-dissolution of six minerals. Transport simulation was performed for a reclamation scenario in which the source of acidic seepage will be terminated after 5 years and the plume will then be flushed by uncontaminated upgradient groundwater. Simulations show that successive pH buffer reactions with calcite, Al(OH)3(a), and Fe(OH)3(a) create distinct geochemical zones and most reactions occur at the boundaries of geochemical zones. The complex interplay of physical transport processes and chemical reactions produce multiple concentration waves. For SO4(2-) transport, the concentration waves are related to advection-dispersion, and gypsum precipitation and dissolution. Wave speeds from numerical simulations compare well to an analytical solution for wave propagation.

  12. Probing Nanoscale Thermal Transport in Surfactant Solutions

    PubMed Central

    Cao, Fangyu; Liu, Ying; Xu, Jiajun; He, Yadong; Hammouda, B.; Qiao, Rui; Yang, Bao

    2015-01-01

    Surfactant solutions typically feature tunable nanoscale, internal structures. Although rarely utilized, they can be a powerful platform for probing thermal transport in nanoscale domains and across interfaces with nanometer-size radius. Here, we examine the structure and thermal transport in solution of AOT (Dioctyl sodium sulfosuccinate) in n-octane liquids using small-angle neutron scattering, thermal conductivity measurements, and molecular dynamics simulations. We report the first experimental observation of a minimum thermal conductivity occurring at the critical micelle concentration (CMC): the thermal conductivity of the surfactant solution decreases as AOT is added till the onset of micellization but increases as more AOT is added. The decrease of thermal conductivity with AOT loading in solutions in which AOT molecules are dispersed as monomers suggests that even the interfaces between individual oleophobic headgroup of AOT molecules and their surrounding non-polar octane molecules can hinder heat transfer. The increase of thermal conductivity with AOT loading after the onset of micellization indicates that the thermal transport in the core of AOT micelles and across the surfactant-oil interfaces, both of which span only a few nanometers, are efficient. PMID:26534840

  13. Solute Transport in Unsaturated Sphagnum Mosses

    NASA Astrophysics Data System (ADS)

    Price, J. S.; Faux, E. A.

    2009-05-01

    Natural Sphagnum cushions develop an upwardly increasing concentration of dissolved solutes during periods of sustained upward capillary flow of solutes, and become enriched by evaporative loss of water. The transport process is poorly documented as a consequence of poor parameterization of unsaturated flow parameters, and the lack of transport parameters such as dispersivity and solute retardation coefficients for flow in unsaturated mosses. Sphagnum mosses contain hyaline cells and dead-end pores that can store but not transmit water and solute. Since these spaces do not drain at moderate (negative) pressures (ψ), the ratio of fluid actively flowing in films in the unsaturated moss to that which is stored decreases as the moss drains. Solutes can pass by diffusion from the film of flowing water into these closed spaces resulting in increased dispersion of the flowing solute, and retardation of even conservative solutes like chloride. These processes were demonstrated in unsaturated Sphagnum mosses using a step input solute (NaCl) source from a constant head device for undecomposed near-surface moss (~5 cm depth), and slightly more decomposed deeper moss (~25 cm depth). Smaller water retention in the undecomposed upper moss sample resulted in lower unsaturated hydraulic conductivity thus lower flow rates. When the sample was initially drained (ψ = ~ 4 cm of water) it was determined that the solute breakthrough expressed as relative concentration (C/C0 = 0.5) occurred at a cumulative discharge of 91.5 ml and at 5.8 minutes in the upper moss, compared to 233.2 ml after 2.8 minutes in the lower (more decomposed) sample. In a drier state (ψ = ~ 16 cm of water), C/C0 = 0.5 was reached after 67.9 ml of discharge at 37.9 minutes in the upper moss compared to 109.2 ml and at 22.4 minutes in the lower sample. Thus less solute flow is required for breakthrough in less decomposed mosses, and in mosses that are relatively dry. Dispersivity was determined on the basis of

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

    NASA Astrophysics Data System (ADS)

    McNab, Walt W.

    1997-10-01

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

  15. Pathogen transport in groundwater systems: contrasts with traditional solute transport

    NASA Astrophysics Data System (ADS)

    Hunt, Randall J.; Johnson, William P.

    2016-12-01

    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 (<10 year) flow paths. By better understanding the differences between pathogen and 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.

  16. A case against Kd-based transport models: natural attenuation at a mill tailings site

    NASA Astrophysics Data System (ADS)

    Zhu, Chen

    2003-04-01

    This study compares numerical modeling results of contaminant transport using a multi-component coupled reactive mass transport model and a distribution coefficient ( Kd)-based transport model. The study site is a contaminated groundwater aquifer underneath a uranium mill tailings pond in the western USA. Advective-dispersive-reactive transport is simulated for a 5-year period of intrusion of tailings fluid into the shallow aquifer, followed by flushing with uncontaminated upgradient groundwater for 1600 years. The coupled model shows that groundwater-sediment interactions result in multiple concentration waves, strong interactions among solutes, and chemical heterogeneity in both space and time. As a result, calculated Kd values vary spatially and temporarily. None of these characteristics can be simulated with a Kd-based model. These results illustrate the shortcomings of the Kd approach, the usage of which is prevalent in the regulatory environment.

  17. Measurements and models of reactive transport in geological media

    NASA Astrophysics Data System (ADS)

    Berkowitz, Brian; Dror, Ishai; Hansen, Scott K.; Scher, Harvey

    2016-12-01

    Reactive chemical transport plays a key role in geological media across scales, from pore scale to aquifer scale. Systems can be altered by changes in solution chemistry and a wide variety of chemical transformations, including precipitation/dissolution reactions that cause feedbacks that directly affect the flow and transport regime. The combination of these processes with advective-dispersive-diffusive transport in heterogeneous media leads to a rich spectrum of complex dynamics. The principal challenge in modeling reactive transport is to account for the subtle effects of fluctuations in the flow field and species concentrations; spatial or temporal averaging generally suppresses these effects. Moreover, it is critical to ground model conceptualizations and test model outputs against laboratory experiments and field measurements. This review emphasizes the integration of these aspects, considering carefully designed and controlled experiments at both laboratory and field scales, in the context of development and solution of reactive transport models based on continuum-scale and particle tracking approaches. We first discuss laboratory experiments and field measurements that define the scope of the phenomena and provide data for model comparison. We continue by surveying models involving advection-dispersion-reaction equation and continuous time random walk formulations. The integration of measurements and models is then examined, considering a series of case studies in different frameworks. We delineate the underlying assumptions, and strengths and weaknesses, of these analyses, and the role of probabilistic effects. We also show the key importance of quantifying the spreading and mixing of reactive species, recognizing the role of small-scale physical and chemical fluctuations that control the initiation of reactions.

  18. Calibration and Uncertainty Analysis of Water and Solute Transport Models Within Vegetated Soils Using a Detailed Dataset

    NASA Astrophysics Data System (ADS)

    Jackson, B.; Wheater, H.; Butler, A.

    2006-12-01

    Appropriate models predicting the fate and transport of water and dissolved chemicals in vegetated soils are required for a wide range of applications. Substantial uncertainty is present due to measurement errors, parametric uncertainty, and structural issues related to model conceptualisation. Due to the costs and intrusiveness of subsurface measurements there are limited datasets available to interrogate models against. Furthermore, the models are typically computationally intensive, making it difficult to fully explore parametric and other uncertainty spaces. Hence there are two pressing needs which must be met to improve the utility of models: more data and constraints are needed to quantify the interactions between different uncertainties and their overall impact on the reliability and robustness of model outputs, and efficient methodologies to explore sensitivities and uncertainties are also called for. This paper presents a combined analysis of a particularly detailed dataset and models of water and solute movement, using both simple random search and Markov chain Monte Carlo methods. Data was collected from an outdoor vegetated lysimeter facility over a duration of close to a year, with soil matric potential, moisture content and temperature at 10 cm depth intervals, along with rainfall and other meteorological variables, logged in four instrumented lysimeters at a time interval of 0.01 days. Three radionuclides (Na-22, Cl-36 and Cs-137) were supplied through the base of the lysimeters using an automated water table control system. Periodic soil cores and plant cuttings provided information on their migration and uptake. The integrity of the experimental data is examined, with uncertainty associated with outputs discussed and quantified. To interpret the data, a Richards' equation model coupled to a dynamic plant water model is linked to an advection-dispersion model with additional process representations of sorption, radioactive decay and root uptake

  19. Percolation and transport in a sandy soil under a natural hydraulic gradient

    USGS Publications Warehouse

    Green, C.T.; Stonestrom, D.A.; Bekins, B.A.; Akstin, K.C.; Schulz, M.S.

    2005-01-01

    [1] Unsaturated flow and transport under a natural hydraulic gradient in a Mediterranean climate were investigated with a field tracer experiment combined with laboratory analyses and numerical modeling. Bromide was applied to the surface of a sandy soil during the dry season. During the subsequent rainy season, repeated sediment sampling tracked the movement of bromide through the profile. Analysis of data on moisture content, matric pressure, unsaturated hydraulic conductivity, bulk density, and soil texture and structure provides insights into parameterization and use of the advective-dispersive modeling approach. Capturing the gross features of tracer and moisture movement with model simulations required an order-of-magnitude increase in laboratory-measured hydraulic conductivity. Wetting curve characteristics better represented field results, calling into question the routine estimation of hydraulic characteristics based only on drying conditions. Measured increases in profile moisture exceeded cumulative precipitation in early winter, indicating that gains from dew drip can exceed losses from evapotranspiration during periods of heavy ("Tule") fog. A single-continuum advective-dispersive modeling approach could not reproduce a peak of bromide that was retained near the soil surface for over 3 years. Modeling of this feature required slow exchange of solute at a transfer rate of 0.5-1 ?? 10-4 d-1 with an immobile volume approaching the residual moisture content.

  20. Modeling flow and solute transport in irrigation furrows

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This paper presents an internally coupled flow and solute transport model for free-draining irrigation furrows. Furrow hydraulics is simulated with a numerical zero-inertia model and solute transport is computed with a model based on a numerical solution of the cross-section averaged advection-dispe...

  1. An analytical model for predicting transport in a coupled vadose/phreatic system

    SciTech Connect

    Tomasko, D.

    1997-05-01

    A simple analytical model is presented for predicting the transport of a contaminant in both the unsaturated (vadose) and saturated (phreatic) zones following a surficial spill. The model incorporates advection, dispersion, adsorption, and first-order decay in both zones and couples the transport processes at the water table. The governing equation is solved by using the method of Laplace transforms, with numerical inversion of the Laplace space equation for concentration. Because of the complexity of the functional form for the Laplace space solution, a numerical methodology using the real and imaginary parts of a Fourier series was implemented. To reduce conservatism in the model, dilution at the water table was also included. Verification of the model is demonstrated by its ability to reproduce the source history at the surface and to replicate appropriate one-dimensional transport through either the vadose or phreatic zone. Because of its simplicity and lack of detailed input data requirements, the model is recommended for scoping calculations.

  2. Mechanistic equations for membrane transport of multicomponent solutions.

    PubMed

    Suchanek, G

    2006-03-01

    In the present article, mechanistic equations for membrane transport of N + 1-component solutions have been derived. The major specific investigation result is the introduction - for ternary solutions - of two diffusion coefficients omega(d1) and omega(d2) for solutes, as well as two cross coefficients omega(d12) and omega(d21) for these solutes. The latter parameters may be treated as coefficients of interdiffusion. The expansion of the description of substance transport to include the N + 1-component solutions does not formulate any additional physical phenomena other than those which are formulated by the transport equations for three-component solutions.

  3. One-Dimensional Transport with Equilibrium Chemistry (OTEQ) - A Reactive Transport Model for Streams and Rivers

    USGS Publications Warehouse

    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.

  4. DCPT v1.0 - New particle tracker for modeling transport in dual-continuum - User's Manual

    SciTech Connect

    Pan, Lehua; Liu, Hui Hai; Cushey, Mark; Bodvarsson, Gudmundur

    2001-04-01

    DCPT (Dual-Continuum Particle Tracker) V1.0 is a new software for simulating solute transport in the subsurface. It is based on the random-walk method for modeling transport processes such as advection, dispersion/diffusion, linear sorption, radioactive decay, and fracture-matrix mass exchange (in fractured porous media). The user shall provide flow-field and other parameters in the form of input files. In Comparison to several analytical and numerical solutions for a number of test cases, DCPT shows excellent performance in both accuracy and efficiency. This report serves as a user's manual of DCPT V1.0. It includes theoretical basis, numerical methods, software structure, input/output description, and examples.

  5. Innovative Solutions to Challenges in Pupil Transportation.

    ERIC Educational Resources Information Center

    Ross, Jonathan; Burkybile, Sharon

    2000-01-01

    States have had to budget increasing amounts for mandated pupil-transportation services as their state transportation aid has been slashed dramatically. Among school districts, cooperation and coordination through shared services (consortia) have resulted in safer, more reliable, and more efficient transportation. Implementation advice is…

  6. Impacts of physical and chemical aquifer heterogeneity on basin-scale solute transport: Vulnerability of deep groundwater to arsenic contamination in Bangladesh

    NASA Astrophysics Data System (ADS)

    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

  7. Upscaling of U(VI) Desorption and Transport from Decimeter-Scale Heterogeneity to Plume-Scale Modeling

    SciTech Connect

    Curtis, Gary P.; Kohler, Matthias; Kannappan, Ramakrishnan; Briggs, Martin; Day-Lewis, Fred

    2015-02-24

    Scientifically defensible predictions of field scale U(VI) transport in groundwater requires an understanding of key processes at multiple scales. These scales range from smaller than the sediment grain scale (less than 10 μm) to as large as the field scale which can extend over several kilometers. The key processes that need to be considered include both geochemical reactions in solution and at sediment surfaces as well as physical transport processes including advection, dispersion, and pore-scale diffusion. The research summarized in this report includes both experimental and modeling results in batch, column and tracer tests. The objectives of this research were to: (1) quantify the rates of U(VI) desorption from sediments acquired from a uranium contaminated aquifer in batch experiments;(2) quantify rates of U(VI) desorption in column experiments with variable chemical conditions, and(3) quantify nonreactive tracer and U(VI) transport in field tests.

  8. Stochastic Langevin Model for Flow and Transport in Porous Media

    SciTech Connect

    Tartakovsky, Alexandre M.; Tartakovsky, Daniel M.; Meakin, Paul

    2008-07-25

    A new stochastic Lagrangian model for fluid flow and transport in porous media is described. The fluid is represented by particles whose flow and dispersion in a continuous porous medium is governed by a Langevin equation. Changes in the properties of the fluid particles (e.g. the solute concentration) due to molecular diffusion is governed by the advection-diffusion equation. The separate treatment of advective and diffusive mixing in the stochastic model has an advantage over the classical advection-dispersion theory, which uses a single effective diffusion coefficient (the dispersion coefficient) to describe both types of mixing leading to over-prediction of mixing induced effective reaction rates. The stochastic model predicts much lower reaction product concentrations in mixing induced reactions. In addition the dispersion theory predicts more stable fronts (with a higher effective fractal dimension) than the stochastic model during the growth of Rayleigh-Taylor instabilities.

  9. Imaging and quantification of preferential solute transport in soil macropores

    NASA Astrophysics Data System (ADS)

    Koestel, John; Larsbo, Mats

    2014-05-01

    Despite significant advances during the last decades, there are still many processes related to nonequilibrium flow and transport in macroporous soil that are far from completely understood. The use of X-rays for imaging time-lapse 3-D solute transport has a large potential to help advance the knowledge in this field. We visualized the transport of potassium iodide (20 g iodide l-1 H2O) through a small undisturbed soil column (height 3.8 cm, diameter 6.8 cm) under steady state hydraulic conditions using an industrial X-ray scanner. In addition, the electrical conductivity was measured in the effluent solution during the experiment. We attained a series of seventeen 3-D difference images which we related to iodide concentrations using a linear calibration relationship. The solute transport through the soil mainly took place in two cylindrical macropores, by-passing more than 90% of the bulk soil volume during the entire experiment. From these macropores the solute diffused into the surrounding soil matrix. We illustrated the properties of the investigated solute transport by comparing it to a 1-D convective-dispersive transport and by calculating the temporal evolution of the dilution index. We furthermore showed that the tracer diffusion from one of the macropores into the surrounding soil matrix could not be exactly fitted with the cylindrical diffusion equation. We believe that similar studies will help establish links between soil structure and solute transport processes and lead to improvements in models for solute transport through undisturbed soil.

  10. Biological solutions to transport network design.

    PubMed

    Bebber, Daniel P; Hynes, Juliet; Darrah, Peter R; Boddy, Lynne; Fricker, Mark D

    2007-09-22

    Transport networks are vital components of multicellular organisms, distributing nutrients and removing waste products. Animal and plant transport systems are branching trees whose architecture is linked to universal scaling laws in these organisms. In contrast, many fungi form reticulated mycelia via the branching and fusion of thread-like hyphae that continuously adapt to the environment. Fungal networks have evolved to explore and exploit a patchy environment, rather than ramify through a three-dimensional organism. However, there has been no explicit analysis of the network structures formed, their dynamic behaviour nor how either impact on their ecological function. Using the woodland saprotroph Phanerochaete velutina, we show that fungal networks can display both high transport capacity and robustness to damage. These properties are enhanced as the network grows, while the relative cost of building the network decreases. Thus, mycelia achieve the seemingly competing goals of efficient transport and robustness, with decreasing relative investment, by selective reinforcement and recycling of transport pathways. Fungal networks demonstrate that indeterminate, decentralized systems can yield highly adaptive networks. Understanding how these relatively simple organisms have found effective transport networks through a process of natural selection may inform the design of man-made networks.

  11. Non-Fickian mass transport in fractured porous media

    NASA Astrophysics Data System (ADS)

    Fomin, Sergei A.; Chugunov, Vladimir A.; Hashida, Toshiyuki

    2011-02-01

    The paper provides an introduction to fundamental concepts of mathematical modeling of mass transport in fractured porous heterogeneous rocks. Keeping aside many important factors that can affect mass transport in subsurface, our main concern is the multi-scale character of the rock formation, which is constituted by porous domains dissected by the network of fractures. Taking into account the well-documented fact that porous rocks can be considered as a fractal medium and assuming that sizes of pores vary significantly (i.e. have different characteristic scales), the fractional-order differential equations that model the anomalous diffusive mass transport in such type of domains are derived and justified analytically. Analytical solutions of some particular problems of anomalous diffusion in the fractal media of various geometries are obtained. Extending this approach to more complex situation when diffusion is accompanied by advection, solute transport in a fractured porous medium is modeled by the advection-dispersion equation with fractional time derivative. In the case of confined fractured porous aquifer, accounting for anomalous non-Fickian diffusion in the surrounding rock mass, the adopted approach leads to introduction of an additional fractional time derivative in the equation for solute transport. The closed-form solutions for concentrations in the aquifer and surrounding rocks are obtained for the arbitrary time-dependent source of contamination located in the inlet of the aquifer. Based on these solutions, different regimes of contamination of the aquifers with different physical properties can be readily modeled and analyzed.

  12. Solute transport across a contact interface in deformable porous media.

    PubMed

    Ateshian, Gerard A; Maas, Steve; Weiss, Jeffrey A

    2012-04-05

    A finite element formulation of neutral solute transport across a contact interface between deformable porous media is implemented and validated against analytical solutions. By reducing the integral statements of external virtual work on the two contacting surfaces into a single contact integral, the algorithm automatically enforces continuity of solute molar flux across the contact interface, whereas continuity of the effective solute concentration (a measure of the solute mechano-chemical potential) is achieved using a penalty method. This novel formulation facilitates the analysis of problems in biomechanics where the transport of metabolites across contact interfaces of deformable tissues may be of interest. This contact algorithm is the first to address solute transport across deformable interfaces, and is made available in the public domain, open-source finite element code FEBio (http://www.febio.org).

  13. Transport of Organic Solutes in Clay Formations

    EPA Science Inventory

    The research is a pilot investigation for the SERDP (Strategic Environmental Research and Development Program, DoD) founded project, Impact of Clay-DNAPL Interactions on Transport and Storage of Chlorinated Solvents in Low Permeability Zones, from 2010-2012. The report tries to s...

  14. Future variability of solute transport in a macrotidal estuary

    NASA Astrophysics Data System (ADS)

    Robins, Peter E.; Lewis, Matt J.; Simpson, John H.; Howlett, Eleanor R.; Malham, Shelagh K.

    2014-12-01

    The physical controls on salt distribution and river-sourced conservative solutes, including the potential implications of climate change, are investigated referring to model simulations of a macrotidal estuary. In the UK, such estuaries typically react rapidly to rainfall events and, as such, are often in a state of non-equilibrium in terms of solute transport; hence are particularly sensitive to climate extremes. Sea levels are projected to rise over the 21st century, extending the salinity maximum upstream in estuaries, which will also affect downstream solute transport, promoting estuarine trapping and reducing offshore dispersal of material. Predicted 'drier summers' and 'wetter winters' in the UK will influence solute transport further still; we found that projected river flow climate changes were more influential than sea-level rise, especially for low flow conditions. Our simulations show that projected climate change for the UK is likely to increase variability in estuarine solute transport and, specifically, increase the likelihood of estuarine trapping during summer, mainly due to drier weather conditions. Future changes in solute transport were less certain during winter, since increased river flow will to some extent counter-act the effects of sea-level rise. Our results have important implications for non-conservative nutrient transport, water quality, coastal management and ecosystem resilience.

  15. Multiple-tracer tests for contaminant transport process identification in saturated municipal solid waste

    SciTech Connect

    Woodman, N.D. Rees-White, T.C.; Stringfellow, A.M.; Beaven, R.P.; Hudson, A.P.

    2015-04-15

    Highlights: • Multiple tracers were applied to saturated MSW to test dual-porosity properties. • Lithium demonstrated to be non-conservative as a tracer. • 260 mm diameter column too small to test transport properties of MSW. • The classical advection-dispersion mode was rejected due to high dispersivity. • Characteristic diffusion times did not vary with the tracer. - Abstract: Two column tests were performed in conditions emulating vertical flow beneath the leachate table in a biologically active landfill to determine dominant transport mechanisms occurring in landfills. An improved understanding of contaminant transport process in wastes is required for developing better predictions about potential length of the long term aftercare of landfills, currently measured in timescales of centuries. Three tracers (lithium, bromide and deuterium) were used. Lithium did not behave conservatively. Given that lithium has been used extensively for tracing in landfill wastes, the tracer itself and the findings of previous tests which assume that it has behaved conservatively may need revisiting. The smaller column test could not be fitted with continuum models, probably because the volume of waste was below a representative elemental volume. Modelling compared advection-dispersion (AD), dual porosity (DP) and hybrid AD–DP models. Of these models, the DP model was found to be the most suitable. Although there is good evidence to suggest that diffusion is an important transport mechanism, the breakthrough curves of the different tracers did not differ from each other as would be predicted based on the free-water diffusion coefficients. This suggested that solute diffusion in wastes requires further study.

  16. Solute transport across the articular surface of injured cartilage.

    PubMed

    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.

  17. Glymphatic solute transport does not require bulk flow

    NASA Astrophysics Data System (ADS)

    Asgari, Mahdi; de Zélicourt, Diane; Kurtcuoglu, Vartan

    2016-12-01

    Observations of fast transport of fluorescent tracers in mouse brains have led to the hypothesis of bulk water flow directed from arterial to venous paravascular spaces (PVS) through the cortical interstitium. At the same time, there is evidence for interstitial solute transport by diffusion rather than by directed bulk fluid motion. It has been shown that the two views may be consolidated by intracellular water flow through astrocyte networks combined with mainly diffusive extracellular transport of solutes. This requires the presence of a driving force that has not been determined to date, but for which arterial pulsation has been suggested as the origin. Here we show that arterial pulsation caused by pulse wave propagation is an unlikely origin of this hypothetical driving force. However, we further show that such pulsation may still lead to fast para-arterial solute transport through dispersion, that is, through the combined effect of local mixing and diffusion in the para-arterial space.

  18. Glymphatic solute transport does not require bulk flow

    PubMed Central

    Asgari, Mahdi; de Zélicourt, Diane; Kurtcuoglu, Vartan

    2016-01-01

    Observations of fast transport of fluorescent tracers in mouse brains have led to the hypothesis of bulk water flow directed from arterial to venous paravascular spaces (PVS) through the cortical interstitium. At the same time, there is evidence for interstitial solute transport by diffusion rather than by directed bulk fluid motion. It has been shown that the two views may be consolidated by intracellular water flow through astrocyte networks combined with mainly diffusive extracellular transport of solutes. This requires the presence of a driving force that has not been determined to date, but for which arterial pulsation has been suggested as the origin. Here we show that arterial pulsation caused by pulse wave propagation is an unlikely origin of this hypothetical driving force. However, we further show that such pulsation may still lead to fast para-arterial solute transport through dispersion, that is, through the combined effect of local mixing and diffusion in the para-arterial space. PMID:27929105

  19. Lysosomal solute carrier transporters gain momentum in research.

    PubMed

    Bissa, B; Beedle, A M; Govindarajan, R

    2016-11-01

    Emerging evidence indicates that lysosome function extends beyond macromolecular degradation. Genetic and functional defects in components of the lysosomal transport machinery cause lysosomal storage disorders implicating the lysosomal solute carrier (SLC) transporters as essential to vital cell processes. The pathophysiology and therapeutic potential of lysosomal SLC transporters are highlighted here, focusing on recent discoveries in autophagic amino acid sensing (SLC38A9), phagocytic regulation in macrophages (SLC29A3, SLC15A3/A4), adenosine triphosphate (ATP) exocytosis in neurotransmission (SLC17A9), and lysosomal transport of maytansine catabolites into the cytoplasm (SLC46A3).

  20. Lysosomal solute carrier transporters gain momentum in research

    PubMed Central

    Beedle, AM; Govindarajan, R

    2016-01-01

    Emerging evidence indicates that lysosome function extends beyond macromolecular degradation. Genetic and functional defects in components of the lysosomal transport machinery cause lysosomal storage disorders implicating the lysosomal solute carrier (SLC) transporters as essential to vital cell processes. The pathophysiology and therapeutic potential of lysosomal SLC transporters are highlighted here, focusing on recent discoveries in autophagic amino acid sensing (SLC38A9), phagocytic regulation in macrophages (SLC29A3, SLC15A3/A4), adenosine triphosphate (ATP) exocytosis in neurotransmission (SLC17A9), and lysosomal transport of maytansine catabolites into the cytoplasm (SLC46A3). PMID:27530302

  1. Molecular modeling and ligand docking for Solute Carrier (SLC) transporters

    PubMed Central

    Schlessinger, Avner; Khuri, Natalia; Giacomini, Kathleen M.; Sali, Andrej

    2014-01-01

    Solute Carrier (SLC) transporters are membrane proteins that transport solutes, such as ions, metabolites, peptides, and drugs, across biological membranes, using diverse energy coupling mechanisms. In human, there are 386 SLC transporters, many of which contribute to the absorption, distribution, metabolism, and excretion of drugs and/or can be targeted directly by therapeutics. Recent atomic structures of SLC transporters determined by X-ray crystallography and NMR spectroscopy have significantly expanded the applicability of structure-based prediction of SLC transporter ligands, by enabling both comparative modeling of additional SLC transporters and virtual screening of small molecules libraries against experimental structures as well as comparative models. In this review, we begin by describing computational tools, including sequence analysis, comparative modeling, and virtual screening, that are used to predict the structures and functions of membrane proteins such as SLC transporters. We then illustrate the applications of these tools to predicting ligand specificities of select SLC transporters, followed by experimental validation using uptake kinetic measurements and other assays. We conclude by discussing future directions in the discovery of the SLC transporter ligands. PMID:23578028

  2. End-Member Formulation of Solid Solutions and Reactive Transport

    SciTech Connect

    Lichtner, Peter C.

    2015-09-01

    A model for incorporating solid solutions into reactive transport equations is presented based on an end-member representation. Reactive transport equations are solved directly for the composition and bulk concentration of the solid solution. Reactions of a solid solution with an aqueous solution are formulated in terms of an overall stoichiometric reaction corresponding to a time-varying composition and exchange reactions, equivalent to reaction end-members. Reaction rates are treated kinetically using a transition state rate law for the overall reaction and a pseudo-kinetic rate law for exchange reactions. The composition of the solid solution at the onset of precipitation is assumed to correspond to the least soluble composition, equivalent to the composition at equilibrium. The stoichiometric saturation determines if the solid solution is super-saturated with respect to the aqueous solution. The method is implemented for a simple prototype batch reactor using Mathematica for a binary solid solution. Finally, the sensitivity of the results on the kinetic rate constant for a binary solid solution is investigated for reaction of an initially stoichiometric solid phase with an undersaturated aqueous solution.

  3. Insights into non-Fickian solute transport in carbonates

    PubMed Central

    Bijeljic, Branko; Mostaghimi, Peyman; Blunt, Martin J

    2013-01-01

    [1] We study and explain the origin of early breakthrough and long tailing plume behavior by simulating solute transport through 3-D X-ray images of six different carbonate rock samples, representing geological media with a high degree of pore-scale complexity. A Stokes solver is employed to compute the flow field, and the particles are then transported along streamlines to represent advection, while the random walk method is used to model diffusion. We compute the propagators (concentration versus displacement) for a range of Peclet numbers (Pe) and relate it to the velocity distribution obtained directly on the images. There is a very wide distribution of velocity that quantifies the impact of pore structure on transport. In samples with a relatively narrow spread of velocities, transport is characterized by a small immobile concentration peak, representing essentially stagnant portions of the pore space, and a dominant secondary peak of mobile solute moving at approximately the average flow speed. On the other hand, in carbonates with a wider velocity distribution, there is a significant immobile peak concentration and an elongated tail of moving fluid. An increase in Pe, decreasing the relative impact of diffusion, leads to the faster formation of secondary mobile peak(s). This behavior indicates highly anomalous transport. The implications for modeling field-scale transport are discussed. Citation: Bijeljic, B., P. Mostaghimi, and M. J. Blunt (2013), Insights into non-Fickian solute transport in carbonates, Water Resour. Res., 49, 2714–2728, doi:10.1002/wrcr.20238. PMID:24223444

  4. Exact Model of Vacancy-Mediated Solute Transport in Magnesium

    NASA Astrophysics Data System (ADS)

    Agarwal, Ravi; Trinkle, Dallas R.

    2017-03-01

    Most substitutional solutes in solids diffuse via vacancies. However, widely used analytic models for diffusivity make uncontrolled approximations in the relations between atomic jump rates that reduce accuracy. Symmetry analysis of the hexagonal close packed crystal identifies more distinct vacancy transitions than prior models, and a Green function approach computes diffusivity exactly for solutes in magnesium. We find large differences for the solute drag of Al, Zn, and rare earth solutes, and improved diffusion activation energies—highlighting the need for exact analytic transport models.

  5. A KINETIC MODEL FOR CELL DENSITY DEPENDENT BACTERIAL TRANSPORT IN POROUS MEDIA

    EPA Science Inventory

    A kinetic transport model with the ability to account for variations in cell density of the aqueous and solid phases was developed for bacteria in porous media. Sorption kinetics in the advective-dispersive-sorptive equation was described by assuming that adsorption was proportio...

  6. Molecular level water and solute transport in reverse osmosis membranes

    NASA Astrophysics Data System (ADS)

    Lueptow, Richard M.; Shen, Meng; Keten, Sinan

    2015-11-01

    The water permeability and rejection characteristics of six solutes, methanol, ethanol, 2-propanol, urea, Na+, and Cl-, were studied for a polymeric reverse osmosis (RO) membrane using non-equilibrium molecular dynamics simulations. Results indicate that water flux increases with an increasing fraction of percolated free volume in the membrane polymer structure. Solute molecules display Brownian motion and hop from pore to pore as they pass through the membrane. The solute rejection depends on both the size of the solute molecule and the chemical interaction of the solute with water and the membrane. When the open spaces in the polymeric structure are such that solutes have to shed at least one water molecule from their solvation shell to pass through the membrane molecular structure, the water-solute pair interaction energy governs solute rejection. Organic solutes more easily shed water molecules than ions to more readily pass through the membrane. Hydrogen-bonding sites for molecules like urea also lead to a higher rejection. These findings underline the importance of the solute's solvation shell and solute-water-membrane chemistry in solute transport and rejection in RO membranes. Funded by the Institute for Sustainability and Energy at Northwestern with computing resources from XSEDE (NSF grant ACI-1053575).

  7. Nonrelativistic grey S n -transport radiative-shock solutions

    DOE PAGES

    Ferguson, J. M.; Morel, J. E.; Lowrie, R. B.

    2017-06-01

    We present semi-analytic radiative-shock solutions in which grey Sn-transport is used to model the radiation, and we include both constant cross sections and cross sections that depend on temperature and density. These new solutions solve for a variable Eddington factor (VEF) across the shock domain, which allows for interesting physics not seen before in radiative-shock solutions. Comparisons are made with the grey nonequilibrium-diffusion radiative-shock solutions of Lowrie and Edwards [1], which assumed that the Eddington factor is constant across the shock domain. It is our experience that the local Mach number is monotonic when producing nonequilibrium-diffusion solutions, but that thismore » monotonicity may disappear while integrating the precursor region to produce Sn-transport solutions. For temperature- and density-dependent cross sections we show evidence of a spike in the VEF in the far upstream portion of the radiative-shock precursor. We show evidence of an adaptation zone in the precursor region, adjacent to the embedded hydrodynamic shock, as conjectured by Drake [2, 3], and also confirm his expectation that the precursor temperatures adjacent to the Zel’dovich spike take values that are greater than the downstream post-shock equilibrium temperature. We also show evidence that the radiation energy density can be nonmonotonic under the Zel’dovich spike, which is indicative of anti-diffusive radiation flow as predicted by McClarren and Drake [4]. We compare the angle dependence of the radiation flow for the Sn-transport and nonequilibriumdiffusion radiation solutions, and show that there are considerable differences in the radiation flow between these models across the shock structure. Lastly, we analyze the radiation flow to understand the cause of the adaptation zone, as well as the structure of the Sn-transport radiation-intensity solutions across the shock structure.« less

  8. Transport of Gas and Solutes in Permeable Estuarine Sediments

    DTIC Science & Technology

    2009-01-01

    information if it does not display a currently valid OMB control number. 1. REPORT DATE 2009 2. REPORT TYPE 3. DATES COVERED 00-00-2009 to 00-00...fluorescent light to investigate bubble production in surface sands under controlled conditions. 2 Effect of ebullition on subsurface-surface...solute exchange. The effect of ebullition , the movement of bubbles from one medium to another, on inert solute tracer transport through coarse-grained

  9. Nonrelativistic radiative shock solutions with grey Sn-transport

    DOE PAGES

    Ferguson, Jim Michael; Morel, Jim Emanuel; Lowrie, Robert Byron

    2017-02-24

    We present semi-analytic radiative-shock solutions in which grey Sn-transport is used to model the radiation, and we include both constant cross sections and cross sections that depend on temperature and density. These new solutions solve for a variable Eddington factor (VEF) across the shock domain, which allows for interesting physics not seen before in radiative-shock solutions. Comparisons are made with the grey nonequilibrium-diffusion radiative-shock solutions of Lowrie and Edwards [1], which assumed that the Eddington factor is constant across the shock domain. It is our experience that the local Mach number is monotonic when producing nonequilibrium-diffusion solutions, but that thismore » monotonicity may disappear while integrating the precursor region to produce Sn-transport solutions. For temperature- and density-dependent cross sections we show evidence of a spike in the VEF in the far upstream portion of the radiative-shock precursor. We show evidence of an adaptation zone in the precursor region, adjacent to the embedded hydrodynamic shock, as conjectured by Drake [2, 3], and also confirm his expectation that the precursor temperatures adjacent to the Zel’dovich spike take values that are greater than the downstream post-shock equilibrium temperature. We also show evidence that the radiation energy density can be nonmonotonic under the Zel’dovich spike, which is indicative of anti-diffusive radiation flow as predicted by McClarren and Drake [4]. We compare the angle dependence of the radiation flow for the Sn-transport and nonequilibriumdiffusion radiation solutions, and show that there are considerable differences in the radiation flow between these models across the shock structure. Lastly, we analyze the radiation flow to understand the cause of the adaptation zone, as well as the structure of the Sn-transport radiation-intensity solutions across the shock structure.« less

  10. Solute transport along preferential flow paths in unsaturated fractures

    USGS Publications Warehouse

    Su, G.W.; Geller, J.T.; Pruess, K.; Hunt, J.R.

    2001-01-01

    Laboratory experiments were conducted to study solute transport along preferential flow paths in unsaturated, inclined fractures. Qualitative aspects of solute transport were identified in a miscible dye tracer experiment conducted in a transparent replica of a natural granite fracture. Additional experiments were conducted to measure the breakthrough curves of a conservative tracer introduced into an established preferential flow path in two different fracture replicas and a rock-replica combination. The influence of gravity was investigated by varying fracture inclination. The relationship between the travel times of the solute and the relative influence of gravity was substantially affected by two modes of intermittent flow that occurred: the snapping rivulet and the pulsating blob modes. The measured travel times of the solute were evaluated with three transfer function models: the axial dispersion, the reactors-in-series, and the lognormal models. The three models described the solute travel times nearly equally well. A mechanistic model was also formulated to describe transport when the pulsating blob mode occurred which assumed blobs of water containing solute mixed with residual pools of water along the flow path.

  11. Effect of proteolytic enzymes on transepithelial solute transport

    SciTech Connect

    Niewoehner, D.E.; Sinha, A.A.; Rice, K.; Cadman, S.; Wangensteen, D.

    1986-10-01

    The effects of proteases on air-space clearance (AC) of small ((/sup 14/C)sucrose, 342 daltons) and large (/sup 125/I-neutral dextran, 70,000 daltons) solutes were studied in isolated, fluid-filled hamster lungs that were perfused in a nonrecirculating system. When instilled into the air spaces, porcine pancreatic elastase (0.1-0.4 mg/ml) and bovine pancreatic trypsin (BPT) (0.5-2.0 mg/ml), but neither Clostridium histolyticum collagenase (5.0 mg/ml) nor phenylmethylsulfonyl fluoride-inactivated BPT caused large increases in the AC of both tracer molecules. BPT-induced solute clearance was further characterized functionally and morphologically. The functional characteristics of solute AC under steady-state conditions did not indicate that transepithelial transport was diffusion-limited. Inhibition by millimolar concentrations of Zn/sup 2 +/ and by lung cooling, along with electron microscopic studies employing horseradish peroxidase as a macromolecule tracer, were consistent with epithelial solute transport by a vesicular mechanism (transcytosis). Solute transport from the interstitial compartment to the lung exterior was shown to occur via two pathways. By unknown mechanisms BPT caused small amounts of water to flow through an incompletely identified, extravascular pathway. In BPT-exposed lungs efflux of /sup 125/I-dextran 70 occurred almost exclusively through this pathway, whereas (/sup 14/C)sucrose was transported to the lung exterior partly through this same pathway and partly through the vasculature. The large differences in the diffusion coefficients of the two tracers may have accounted for these observed patterns of solute efflux from the lung. The possible significance of our findings to the pathogenesis of experimental emphysema are discussed.

  12. Simulation of transportation of low enriched uranium solutions

    SciTech Connect

    Hope, E.P.; Ades, M.J.

    1996-08-01

    A simulation of the transportation by truck of low enriched uranium solutions has been completed for NEPA purposes at the Savannah River Site. The analysis involves three distinct source terms, and establishes the radiological risks of shipment to three possible destinations. Additionally, loading accidents were analyzed to determine the radiological consequences of mishaps during handling and delivery. Source terms were developed from laboratory measurements of chemical samples from low enriched uranium feed materials being stored at SRS facilities, and from manufacturer data on transport containers. The transportation simulations were accomplished over the INTERNET using the DOE TRANSNET system at Sandia National Laboratory. The HIGHWAY 3.3 code was used to analyze routing scenarios, and the RADTRAN 4 code was used to analyze incident free and accident risks of transporting radiological materials. Loading accidents were assessed using the Savannah River Site AXAIR89Q and RELEASE 2 codes.

  13. Solute transport in intervertebral disc: experiments and finite element modeling.

    PubMed

    Das, D B; Welling, A; Urban, J P G; Boubriak, O A

    2009-04-01

    Loss of nutrient supply to the human intervertebral disc (IVD) cells is thought to be a major cause of disc degeneration in humans. To address this issue, transport of molecules of different size have been analyzed by a combination of experimental and modeling studies. Solute transport has been compared for steady-state and transient diffusion of several different solutes with molecular masses in the range 3-70 kDa, injected into parts of the disc where degeneration is thought most likely to occur first and into the blood supply to the disc. Diffusion coefficients of fluorescently tagged dextran molecules of different molecular weights have been measured in vitro using the concentration gradient technique in thin specimens of disc outer annulus and nucleus pulposus. Diffusion coefficients were found to decrease with molecular weight following a nonlinear relationship. Diffusion coefficients changed more rapidly for solutes with molecular masses less than 10 kDa. Although unrealistic or painful, solutes injected directly into the disc achieve the largest disc coverage with concentrations that would be high enough to be of practical use. Although more practical, solutes injected into the blood supply do not penetrate to the central regions of the disc and their concentrations dissipate more rapidly. Injection into the disc would be the best method to get drugs or growth factors to regions of degeneration in IVDs quickly; else concentrations of solute must be kept at a high value for several hours in the blood supply to the discs.

  14. Conservative and reactive solute transport in constructed wetlands

    USGS Publications Warehouse

    Keefe, S.H.; Barber, L.B.; Runkel, R.L.; Ryan, J.N.; McKnight, Diane M.; Wass, R.D.

    2004-01-01

    The transport of bromide, a conservative tracer, and rhodamine WT (RWT), a photodegrading tracer, was evaluated in three wastewater-dependent wetlands near Phoenix, Arizona, using a solute transport model with transient storage. Coupled sodium bromide and RWT tracer tests were performed to establish conservative transport and reactive parameters in constructed wetlands with water losses ranging from (1) relatively impermeable (15%), (2) moderately leaky (45%), and (3) significantly leaky (76%). RWT first-order photolysis rates and sorption coefficients were determined from independent field and laboratory experiments. Individual wetland hydraulic profiles influenced the extent of transient storage interaction in stagnant water areas and consequently RWT removal. Solute mixing and transient storage interaction occurred in the impermeable wetland, resulting in 21% RWT mass loss from main channel and storage zone photolysis (10%) and sorption (11%) reactions. Advection and dispersion governed solute transport in the leaky wetland, limiting RWT photolysis removal (1.2%) and favoring main channel sorption (3.6%). The moderately leaky wetland contained islands parallel to flow, producing channel flow and minimizing RWT losses (1.6%).

  15. Colloid Transport in Porous Medium: Impact of High Salinity Solutions

    NASA Astrophysics Data System (ADS)

    Weisbrod, N.; Magal, E.; Yechieli, Y.; Yakirevich, A.

    2009-12-01

    We explored the transport of colloids suspended in natural saline solutions with a wide range of ionic strengths, up to Dead Sea brines. Migration of latex microspheres through saturated sand columns of different sizes was studied in lab experiments, and colloid transport was simulated with a mathematical model. We have found that latex microspheres were mobile even in the extremely saline brines of the Dead Sea (ionic strength = 100.9 M). At this high ionic strength, according to the common colloid transport theories, no energetic barrier to colloid attachment exists and colloid adsorption was expected to be a favorable process. Apparently, even in that high salinity, colloids adsorption is not complete and ~20% colloids are allowed to transport (through 30-cm long column). Colloid transport was found to be related to the solution salinity, as expected. After 2-3 pore volumes (PV) the relative concentration of colloids at the outlet of 30-cm long columns decreased as the solution ionic strength increased until some critical value (ionic strength greater than 10-1.8 M) and then remained constant as the solution salinity increased. To further explore the sorption of colloids on sand surfaces in Dead Sea brines, breakthrough curves (BTCs) were studied using 7-cm long columns, through which hundreds of PV were introduced. The observed BTCs exhibited a bi-modal shape that suggests different rates of colloid attachment. After initial breakthrough the relative concentration of colloids at the outlet rose to a value of 0.8 (after 1.5 PV), and it remained relatively constant until approximately 17 PV were flushed through the column. After a total flow of about 20 PV, the relative concentration reached a value of one. The colloid migration process was successfully modeled using the limited entrapment model (Pachepsky et al., 2006), assuming the colloid attachment rate is dependent on the concentration of attached colloids.

  16. Stochastic analysis of transport of conservative solutes in caisson experiments

    SciTech Connect

    Dagan, G.

    1995-02-01

    The Los Alamos National Laboratory has conducted in the past a series of experiments of transport of conservative and reactive solutes. The experimental setup and the experimental results are presented in a series of reports. The main aim of the experiments was to validate models of transport of solutes in unsaturated flow at the caisson intermediate scale, which is much larger than the one pertaining to laboratory columns. First attempts to analyze the experimental results were by one-dimensional convective-dispersion models. These models could not explain the observed solute breakthrough curves and particularly the large solute dispersion in the caisson effluent Since there were some question marks about the uniformity of water distribution at the caisson top, the transport experiments were repeated under conditions of saturated flow. In these experiments constant heads were applied at the top and the bottom of the caisson and the number of concentration monitoring stations was quadrupled. The analysis of the measurements by the same one-dimensional model indicated clearly that the fitted dispersivity is much larger than the pore-sole dispersivity and that it grows with the distance in an approximately linear fashion. This led to the conclusion, raised before, that transport in the caisson is dominated by heterogeneity effects, i.e. by spatial variability of the material Such effects cannot be captured by traditional one-dimensional models. In order to account for the effect of heterogeneity, the saturated flow experiments have been analyzed by using stochastic transport modeling. The apparent linear growth of dispersivity with distance suggested that the system behaves like a stratified one. Consequently, the model of Dagan and Bresier has been adopted in order to interpret concentration measurements. In this simple model the caisson is viewed as a bundle of columns of different permeabilities, which are characterized by a p.d.f. (probability denasity function).

  17. Transport properties of polymer solutions. A comparative approach.

    PubMed Central

    Foster, K R; Cheever, E; Leonard, J B; Blum, F D

    1984-01-01

    A variety of transport properties have been measured for solutions of the water soluble polymer poly(ethylene oxide)(PEO) with molecular weights ranging from 200 to 14,000, and volume fractions ranging from 0-80%. The transport properties are thermal conductivity, electrical conductivity at audio frequencies (in solutions containing dilute electrolyte), and water self-diffusion. These data, together with dielectric relaxation data previously reported, are amenable to analysis by the same mixture theory. The ionic conductivity and water self-diffusion coefficient, but not the thermal conductivity, are substantially smaller than predicted by the Maxwell and Hanai mixture relations, calculated using the known transport properties of pure liquid water. A 25% (by volume) solution of PEO exhibits an average dielectric relaxation frequency of the suspending water of one half that of pure water, with clear evidence of a distribution of relaxation times present. The limits of the cumulative distribution of dielectric relaxation times that are consistent with the data are obtained using a linear programming technique. The application of simple mixture theory, under appropriate limiting conditions, yields hydration values for the more dilute polymer solutions that are somewhat larger than values obtained from thermodynamic measurements. PMID:6733244

  18. Long-Term Transport of Cryptosporidium Parvum

    NASA Astrophysics Data System (ADS)

    Andrea, C.; Harter, T.; Hou, L.; Atwill, E. R.; Packman, A.; Woodrow-Mumford, K.; Maldonado, S.

    2005-12-01

    The protozoan pathogen Cryptosporidium parvum is a leading cause of waterborne disease. Subsurface transport and filtration in natural and artificial porous media are important components of the environmental pathway of this pathogen. It has been shown that the oocysts of C. parvum show distinct colloidal properties. We conducted a series of laboratory studies on sand columns (column length: 10 cm - 60 cm, flow rates: 0.7 m/d - 30 m/d, ionic strength: 0.01 - 100 mM, filter grain size: 0.2 - 2 mm, various solution chemistry). Breakthrough curves were measured over relatively long time-periods (hundreds to thousands of pore volumes). We show that classic colloid filtration theory is a reasonable tool for predicting the initial breakthrough, but it is inadequate to explain the significant tailing observed in the breakthrough of C. parvum oocyst through sand columns. We discuss the application of the Continuous Time Random Walk approach to account for the strong tailing that was observed in our experiments. The CTRW is generalized transport modeling framework, which includes the classic advection-dispersion equation (ADE), the fractional ADE, and the multi-rate mass transfer model as special cases. Within this conceptual framework, it is possible to distinguish between the contributions of pore-scale geometrical (physical) disorder and of pore-scale physico-chemical heterogeneities (e.g., of the filtration, sorption, desorption processes) to the transport of C. parvum oocysts.

  19. Generic transport coefficients of a confined electrolyte solution

    NASA Astrophysics Data System (ADS)

    Yoshida, Hiroaki; Mizuno, Hideyuki; Kinjo, Tomoyuki; Washizu, Hitoshi; Barrat, Jean-Louis

    2014-11-01

    Physical parameters characterizing electrokinetic transport in a confined electrolyte solution are reconstructed from the generic transport coefficients obtained within the classical nonequilibrium statistical thermodynamic framework. The electro-osmotic flow, the diffusio-osmotic flow, the osmotic current, as well as the pressure-driven Poiseuille-type flow, the electric conduction, and the ion diffusion are described by this set of transport coefficients. The reconstruction is demonstrated for an aqueous NaCl solution between two parallel charged surfaces with a nanoscale gap, by using the molecular dynamic (MD) simulations. A Green-Kubo approach is employed to evaluate the transport coefficients in the linear-response regime, and the fluxes induced by the pressure, electric, and chemical potential fields are compared with the results of nonequilibrium MD simulations. Using this numerical scheme, the influence of the salt concentration on the transport coefficients is investigated. Anomalous reversal of diffusio-osmotic current, as well as that of electro-osmotic flow, is observed at high surface charge densities and high added-salt concentrations.

  20. Simulation of solute transport across low-permeability barrier walls

    USGS Publications Warehouse

    Harte, P.T.; Konikow, L.F.; Hornberger, G.Z.

    2006-01-01

    Low-permeability, non-reactive barrier walls are often used to contain contaminants in an aquifer. Rates of solute transport through such barriers are typically many orders of magnitude slower than rates through the aquifer. Nevertheless, the success of remedial actions may be sensitive to these low rates of transport. Two numerical simulation methods for representing low-permeability barriers in a finite-difference groundwater-flow and transport model were tested. In the first method, the hydraulic properties of the barrier were represented directly on grid cells and in the second method, the intercell hydraulic-conductance values were adjusted to approximate the reduction in horizontal flow, allowing use of a coarser and computationally efficient grid. The alternative methods were tested and evaluated on the basis of hypothetical test problems and a field case involving tetrachloroethylene (PCE) contamination at a Superfund site in New Hampshire. For all cases, advective transport across the barrier was negligible, but preexisting numerical approaches to calculate dispersion yielded dispersive fluxes that were greater than expected. A transport model (MODFLOW-GWT) was modified to (1) allow different dispersive and diffusive properties to be assigned to the barrier than the adjacent aquifer and (2) more accurately calculate dispersion from concentration gradients and solute fluxes near barriers. The new approach yields reasonable and accurate concentrations for the test cases. ?? 2006.

  1. Simulation of solute transport across low-permeability barrier walls

    NASA Astrophysics Data System (ADS)

    Harte, Philip T.; Konikow, Leonard F.; Hornberger, George Z.

    2006-05-01

    Low-permeability, non-reactive barrier walls are often used to contain contaminants in an aquifer. Rates of solute transport through such barriers are typically many orders of magnitude slower than rates through the aquifer. Nevertheless, the success of remedial actions may be sensitive to these low rates of transport. Two numerical simulation methods for representing low-permeability barriers in a finite-difference groundwater-flow and transport model were tested. In the first method, the hydraulic properties of the barrier were represented directly on grid cells and in the second method, the intercell hydraulic-conductance values were adjusted to approximate the reduction in horizontal flow, allowing use of a coarser and computationally efficient grid. The alternative methods were tested and evaluated on the basis of hypothetical test problems and a field case involving tetrachloroethylene (PCE) contamination at a Superfund site in New Hampshire. For all cases, advective transport across the barrier was negligible, but preexisting numerical approaches to calculate dispersion yielded dispersive fluxes that were greater than expected. A transport model (MODFLOW-GWT) was modified to (1) allow different dispersive and diffusive properties to be assigned to the barrier than the adjacent aquifer and (2) more accurately calculate dispersion from concentration gradients and solute fluxes near barriers. The new approach yields reasonable and accurate concentrations for the test cases.

  2. Combined physical and chemical nonequilibrium transport model for solution conduits.

    PubMed

    Field, Malcolm S; Leij, Feike J

    2014-02-01

    Solute transport in karst aquifers is primarily constrained to relatively complex and inaccessible solution conduits where transport is often rapid, turbulent, and at times constrictive. Breakthrough curves generated from tracer tests in solution conduits are typically positively-skewed with long tails evident. Physical nonequilibrium models to fit breakthrough curves for tracer tests in solution conduits are now routinely employed. Chemical nonequilibrium processes are likely important interactions, however. In addition to partitioning between different flow domains, there may also be equilibrium and nonequilibrium partitioning between the aqueous and solid phases. A combined physical and chemical nonequilibrium (PCNE) model was developed for an instantaneous release similar to that developed by Leij and Bradford (2009) for a pulse release. The PCNE model allows for partitioning open space in solution conduits into mobile and immobile flow regions with first-order mass transfer between the two regions to represent physical nonequilibrium in the conduit. Partitioning between the aqueous and solid phases proceeds either as an equilibrium process or as a first-order process and represents chemical nonequilibrium for both the mobile and immobile regions. Application of the model to three example breakthrough curves demonstrates the applicability of the combined physical and chemical nonequilibrium model to tracer tests conducted in karst aquifers, with exceptionally good model fits to the data. The three models, each from a different state in the United States, exhibit very different velocities, dispersions, and other transport properties with most of the transport occurring via the fraction of mobile water. Fitting the model suggests the potentially important interaction of physical and chemical nonequilibrium processes.

  3. Calculation of solute transport parameters from the breakthrough experimental data using solute transport models

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Traditionally, a two-parameter partial differential equation has been used to describe the one-dimensional convective-dispersive transport of chemicals in field soils. The parameters in this equation include the dispersion coefficient and a distribution coefficient, the latter accounting for interac...

  4. Interpretation of column experiments of transport of solutes undergoing an irreversible bimolecular reaction using a continuum approximation

    NASA Astrophysics Data System (ADS)

    Sanchez-Vila, Xavier; Fernã Ndez-Garcia, Daniel; Guadagnini, Alberto

    2010-12-01

    We provide a quantitative interpretation of the column experiment reported by Gramling et al. (2002). The experiment involves advection-dominated transport in porous media of three dissolved species, i.e., two reactants undergoing a fast irreversible reaction and the resulting product. The authors found that their observations could not be properly fitted with a model based on an advection-dispersion-reaction equation (ADRE) assuming the reaction was instantaneous, the actual measured total reaction product being lower than predictions for all times. The data have been recently well reproduced by Edery et al. (2009, 2010) by means of a particle tracking approach in a continuous time random walk framework. These and other authors have questioned the use of partial differential equation (PDE)-based approaches to quantify reactive transport because of the difficulty in capturing local-scale mixing and reaction. We take precisely this approach and interpret the experiments mentioned by means of a continuum-scale model based on the ADRE. Our approach differs from previous modeling attempts in that we imbue effects of incomplete mixing at the pore scale in a time-dependent kinetic reaction term and show that this model allows quantitative interpretation of the experiments in terms of both reaction product profiles and time-dependent global production rate. The time dependence of the kinetic term presented accounts for the progressive effects of incomplete mixing due to pore-scale rate-limited mass transfer, and follows a power law, which is consistent with the compilation of existing experiments reported by Haggerty et al. (2004). Our interpretation can form the basis for further research to assess the potential use of PDE approaches for the interpretation of reactive transport problems in moderately heterogeneous media.

  5. Transport of solutes through cartilage: permeability to large molecules.

    PubMed Central

    Maroudas, A

    1976-01-01

    A review of the transport of solutes through articular cartilage is given, with special reference to the effect of variations in matrix composition. Some physiological implications of our findings are discussed. Also, results of an experimental study of the permeability of articular cartilage to large globular proteins are presented. Because of the very low partition coefficients of large solutes between cartilage and an external solution new experimental techniques had to be devised, particularly for the study of diffusion. The partition coefficients of solutes were found to decrease very steeply with increase in size, up to serum albumin. There was, however, no further decrease for IGG. The diffusion coefficient of serum albumin in cartilage was relatively high (one quarter of the value in aqueous solution). These two facts taken together suggest that there may be a very small fraction of relatively large pores in cartilage through which the transport of large molecules is taking place. The permeability of cartilage to large molecules is extremely sensitive to variations in the glycosaminoglycan content: for a threefold increase in the latter there is a hundredfold decrease in the partition coefficient. For cartilage of fixed charge density around 0-19 m-equiv/g, there is no penetration at all of globular proteins of size equal to or larger than serum albumin. PMID:1002608

  6. Molecular simulations of solute transport in xylose isomerase crystals.

    PubMed

    Malek, Kourosh; Coppens, Marc-Olivier

    2008-02-07

    Cross-linked enzyme crystals (CLECs) enclose an extensive regular matrix of chiral solvent-filled nanopores, via which ions and solutes travel in and out. Several cross-linked enzyme crystals have recently been used for chiral separation and as biocatalysts. We studied the dynamics of solute transport in orthorhombic d-xylose isomerase (XI) crystals by means of Brownian dynamics (BD) and molecular dynamics (MD) simulations, which show how the protein residues influence the dynamics of solute molecules in confined regions inside the lattice. In the BD simulations, coarse-grained beads represent solutes of different sizes. The diffusion of S-phenylglycine molecules inside XI crystals is investigated by long-time MD simulations. The computed diffusion coefficients within a crystal are found to be orders of magnitude lower than in bulk water. The simulation results are compared to the recent experimental studies of diffusion and reaction inside XI crystals. The insights obtained from simulations allow us to understand the nature of solute-protein interactions and transport phenomena in CLECs, which is useful for the design of novel nanoporous biocatalysts and bioseparations based on CLECs.

  7. Water and chloride transport in a fine-textured soil in a feedlot pen.

    PubMed

    Veizaga, E A; Rodríguez, L; Ocampo, C J

    2015-11-01

    Cattle feeding in feedlot pens produces large amounts of manure and animal urine. Manure solutions resulting from surface runoff are composed of numerous chemical constituents whose leaching causes salinization of the soil profile. There is a relatively large number of studies on preferential flow characterization and modeling in clayed soils. However, research on water flow and solute transport derived from cattle feeding operations in fine-textured soils under naturally occurring precipitation events is less frequent. A field monitoring and modeling investigation was conducted at two plots on a fine-textured soil near a feedlot pen in Argentina to assess the potential of solute leaching into the soil profile. Soil pressure head and chloride concentration of the soil solution were used in combination with HYDRUS-1D numerical model to simulate water flow and chloride transport resorting to the concept of mobile/immobile-MIM water for solute transport. Pressure head sensors located at different depths registered a rapid response to precipitation suggesting the occurrence of preferential flow-paths for infiltrating water. Cracks and small fissures were documented at the field site where the % silt and % clay combined is around 94%. Chloride content increased with depth for various soil pressure head conditions, although a dilution process was observed as precipitation increased. The MIM approach improved numerical results at one of the tested sites where the development of cracks and macropores is likely, obtaining a more dynamic response in comparison with the advection-dispersion equation.

  8. Model prediction uncertainty of bromide and pesticides transport in laboratory column

    NASA Astrophysics Data System (ADS)

    Dusek, Jaromir; Dohnal, Michal; Snehota, Michal; Sobotkova, Martina; Ray, Chittaranjan; Vogel, Tomas

    2016-04-01

    Knowledge of transport parameters of reactive solutes such as pesticides is a prerequisite for reliable predictions of their fate and transport in soil porous systems. Water flow and transport of bromide tracer and five pesticides (atrazine, imazaquin, sulfometuron methyl, S-metolachlor, and imidacloprid) through an undisturbed soil column of tropical Oxisol were analyzed using a one-dimensional numerical model. Laboratory column leaching experiment with three flow interruptions was conducted. The applied numerical model is based on Richards' equation for solving water flow and the advection-dispersion equation for solving solute transport. A global optimization method was used to evaluate the model's sensitivity to transport parameters and the uncertainty of model predictions. Within the Monte Carlo modeling framework, multiple forward simulations searching through the parametric space, were executed to describe the observed breakthrough curves. All pesticides were found to be relatively mobile. Experimental data indicated significant non-conservative behavior of bromide tracer. All pesticides, with the exception of imidacloprid, were found less persistent. Three of the five pesticides (atrazine, sulfometuron methyl, and S-metolachlor) were better described by the linear kinetic sorption model, while the breakthrough curves of imazaquin and imidacloprid were more appropriately approximated using nonlinear instantaneous sorption. Sensitivity analysis suggested that the model is most sensitive to sorption distribution coefficient. The prediction limits contained most of the measured points of the experimental breakthrough curves, indicating adequate model concept and model structure for the description of transport processes in the soil column under study.

  9. Long-term tritium transport through field-scale compacted soil liner

    USGS Publications Warehouse

    Toupiol, C.; Willingham, T.W.; Valocchi, A.J.; Werth, C.J.; Krapac, I.G.; Stark, T.D.; Daniel, D.E.

    2002-01-01

    A 13-year study of tritium transport through a field-scale earthen liner was conducted by the Illinois State Geological Survey to determine the long-term performance of compacted soil liners in limiting chemical transport. Two field-sampling procedures (pressure-vacuum lysimeter and core sampling) were used to determine the vertical tritium concentration profiles at different times and locations within the liner. Profiles determined by the two methods were similar and consistent. Analyses of the concentration profiles showed that the tritium concentration was relatively uniformly distributed horizontally at each sampling depth within the liner and thus there was no apparent preferential transport. A simple one-dimensional analytical solution to the advective-dispersive solute transport equation was used to model tritium transport through the liner. Modeling results showed that diffusion was the dominant contaminant transport mechanism. The measured tritium concentration profiles were accurately modeled with an effective diffusion coefficient of 6 ?? 10-4 mm2/s, which is in the middle of the range of values reported in the literature.

  10. An overview of uncertainties in modelling groundwater solute transport

    NASA Astrophysics Data System (ADS)

    Carrera, Jesús

    1993-06-01

    Model predictions are uncertain because of uncertainties on future and/or anthropogenic stresses, parameter values and conceptual models. The first two groups of problems can be addressed through rather systematic methods (scenario analysis, error transmission techniques, automatic calibration algorithms, etc.). However, conceptual uncertainties are rarely given adequate attention. The objective of this paper is to synthesize conceptual difficulties associated with transport. These include: (1) processes that are significant at small scales may not be relevant at large scales; (2) inversely, new processes (e.g., dispersion) emerge in response to increase in scale and the way to represent them may depend on the assumed model structure; (3) the observed shapes of both breakthrough curves and pollutant plumes are not well represented by the classical transport equation; (4) porosities and dispersivities derived from field tracer tests often exhibit a directional dependence; etc. Though not directly related to solute transport, scale effects on hydraulic conductivity may also affect solute transport modelling. When these anomalies are examined, it is concluded that they are directly or indirectly caused by heterogeneity. Current approaches for dealing with heterogeneity can be divided into stochastic and deterministic. Stochastic methods have been successful in explaining qualitatively some anomalies of solute transport, but they appear to be far from reaching a stage at which they can be used routinely for solving realistic field problems. On the other hand, when applied with care, deterministic methods have been successfully used in actual problems. Yet, it can be argued that they fail to account for small-scale variability of concentrations so that they would become ineffective when dealing with nonlinear processes, such as chemical reactions. Relevance of on-going research for overcoming these difficulties is discussed.

  11. Scaling of geochemical reaction rates via advective solute transport

    NASA Astrophysics Data System (ADS)

    Hunt, A. G.; Ghanbarian, B.; Skinner, T. E.; Ewing, R. P.

    2015-07-01

    Transport in porous media is quite complex, and still yields occasional surprises. In geological porous media, the rate at which chemical reactions (e.g., weathering and dissolution) occur is found to diminish by orders of magnitude with increasing time or distance. The temporal rates of laboratory experiments and field observations differ, and extrapolating from laboratory experiments (in months) to field rates (in millions of years) can lead to order-of-magnitude errors. The reactions are transport-limited, but characterizing them using standard solute transport expressions can yield results in agreement with experiment only if spurious assumptions and parameters are introduced. We previously developed a theory of non-reactive solute transport based on applying critical path analysis to the cluster statistics of percolation. The fractal structure of the clusters can be used to generate solute distributions in both time and space. Solute velocities calculated from the temporal evolution of that distribution have the same time dependence as reaction-rate scaling in a wide range of field studies and laboratory experiments, covering some 10 decades in time. The present theory thus both explains a wide range of experiments, and also predicts changes in the scaling behavior in individual systems with increasing time and/or length scales. No other theory captures these variations in scaling by invoking a single physical mechanism. Because the successfully predicted chemical reactions include known results for silicate weathering rates, our theory provides a framework for understanding changes in the global carbon cycle, including its effects on extinctions, climate change, soil production, and denudation rates. It further provides a basis for understanding the fundamental time scales of hydrology and shallow geochemistry, as well as the basis of industrial agriculture.

  12. Modeling effects of multinode wells on solute transport

    USGS Publications Warehouse

    Konikow, L.F.; Hornberger, G.Z.

    2006-01-01

    Long-screen wells or long open boreholes with intraborehole flow potentially provide pathways for contaminants to move from one location to another in a ground water flow system. Such wells also can perturb a flow field so that the well will not provide water samples that are representative of ground water quality a short distance away from the well. A methodology is presented to accurately and efficiently simulate solute transport in ground water systems that include wells longer than the grid spacing used in a simulation model of the system and hence are connected to multiple nodes of the grid. The methods are implemented in a MODFLOW-compatible solute-transport model and use MODFLOW's Multi-Node Well Package but are generic and can be readily implemented in other solute-transport models. For nonpumping multinode wells (used to simulate open boreholes or observation wells, for example) and for low-rate pumping wells (in which the flow between the well and the ground water system is not unidirectional), a simple routing and local mixing model was developed to calculate nodal concentrations within the borehole. For high-rate pumping multinode wells (either withdrawal or injection, in which flow between the well and the ground water system is in the same direction at all well nodes), complete and instantaneous mixing in the wellbore of all inflows is assumed.

  13. Modeling of heat transport through Fractures with emphasis to roughness and aperture variability

    NASA Astrophysics Data System (ADS)

    Nigon, Benoit; Englert, Andreas; Pascal, Christophe

    2015-04-01

    Fractured media are characterized by multi-scale heterogeneities implying high spatial variability of hydraulic properties. At the fracture network scale, spatial organization of fluxes is controlled by the fracture network geometry, itself characterized by fracture connectivity, fracture density, and the respective lengths and apertures of the fractures within the network. At the fracture scale, the variability of the fluxes is mainly controlled by fracture roughness and aperture variability. The multi-scale heterogeneities of fractured rocks imply complexities for prediction of solute and heat transport in space and time, and often lead to the so-called "anomalous transport" behavior. In homogeneous media, heat transport can be described using Fourier's law opening the possibility to apply the advection-dispersion equation to predict transport behavior. However, in real fractured media a "non-Fourier transport" often dominates. The latter phenomenon, characterized by asymmetric breakthrough shape, early breakthrough and long tailing cannot be described by the classical advection-dispersion equation. In the present study, we focus on heat transport within a single fracture and we explore the respective roles of fracture roughness and aperture variability. Fracture roughness has two main effects on heat transport, flow channeling and a spatial variation of heat exchange area between fluid and rock. Fracture aperture variability controls the variability of fracture flow, and thus induces spatial variation of heat transport in a fracture. Micro- to macro-scale fracture roughness measurements will be performed in the field and the laboratory using a terrestrial LIDAR, a X-Ray CT-Scanner Alpha, and a Microscope Keyence VHX 100. Thereafter the measurements will be used to better describe fracture geometry taking in account discontinuity type. To further improve the understanding of heat transfer between fracture and matrix, we will numerically model heat transport as

  14. Ion and solute transport by Prestin in Drosophila and Anopheles.

    PubMed

    Hirata, Taku; Czapar, Anna; Brin, Lauren; Haritonova, Alyona; Bondeson, Daniel P; Linser, Paul; Cabrero, Pablo; Thompson, James; Dow, Julian A T; Romero, Michael F

    2012-04-01

    The gut and Malpighian tubules of insects are the primary sites of active solute and water transport for controlling hemolymph and urine composition, pH, and osmolarity. These processes depend on ATPase (pumps), channels and solute carriers (Slc proteins). Maturation of genomic databases enables us to identify the putative molecular players for these processes. Anion transporters of the Slc4 family, AE1 and NDAE1, have been reported as HCO(3)(-) transporters, but are only part of the story. Here we report Dipteran (Drosophila melanogaster (d) and Anopheles gambiae (Ag)) anion exchangers, belonging to the Slc26 family, which are multi-functional anion exchangers. One Drosophila and two Ag homologues of mammalian Slc26a5 (Prestin) and Slc26a6 (aka, PAT1, CFEX) were identified and designated dPrestin, AgPrestinA and AgPrestinB. dPrestin and AgPrestinB show electrogenic anion exchange (Cl(-)/nHCO(3)(-), Cl(-)/SO(4)(2-) and Cl(-)/oxalate(2-)) in an oocyte expression system. Since these transporters are the only Dipteran Slc26 proteins whose transport is similar to mammalian Slc26a6, we submit that Dipteran Prestin are functional and even molecular orthologues of mammalian Slc26a6. OSR1 kinase increases dPrestin ion transport, implying another set of physiological processes controlled by WNK/SPAK signaling in epithelia. All of these mRNAs are highly expressed in the gut and Malpighian tubules. Dipteran Prestin proteins appear suited for central roles in bicarbonate, sulfate and oxalate metabolism including generating the high pH conditions measured in the Dipteran midgut lumen. Finally, we present and discuss Drosophila genetic models that integrate these processes.

  15. SOLUTIONS APPROXIMATING SOLUTE TRANSPORT IN A LEAKY AQUIFER RECEIVING WASTEWATER INJECTION

    EPA Science Inventory

    A mathematical model amenable to analytical solution techniques is developed for the investigation of contaminant transport from an injection well into a leaky aquifer system, which comprises a pumped and an unpumped aquifer connected to each other by an aquitard. A steady state ...

  16. Hydrophilic solute transport across the rat blood-brain barrier

    SciTech Connect

    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 {sup 3}H-inulin and {sup 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.

  17. Association between arterial stiffness and peritoneal small solute transport rate.

    PubMed

    Zhe, Xing-wei; Tian, Xin-kui; Chen, Wei; Guo, Li-juan; Gu, Yue; Chen, Hui-min; Tang, Li-jun; Wang, Tao

    2008-05-01

    While cardiovascular disease accounts for 40-50% of the mortality in dialysis patients, and while a high peritoneal transport in continuous ambulatory peritoneal dialysis (CAPD) is an independent predictor of outcome, it is unclear if there are any links. Aortic stiffness has become established as a cardiovascular risk factor. We thus studied pulse wave velocity (PWV) in CAPD patients to explore the possible link between peritoneal small solute transport and aortic stiffness. CAPD patients (n = 76, 27 M/49 F) in our center were included in the present study. Aortic stiffness was assessed by brachial pulse pressure (PP) and carotid-femoral PWV. Patients' peritoneal small solute transport rate was assessed by D/P(cr) at 4 h. Extracellular water over total body water (E/T ratio) was assessed by means of bioimpedance analysis. C-reactive protein was also measured. Carotid-femoral PWV was positively associated with patients' age (r = 0.555; P < 0.01), time on peritoneal dialysis (r = 0.332; P < 0.01), diabetic status (r = 0.319; P < 0.01), D/P(cr) (r = 0.241; P < 0.05), PP (r = 0.475; P < 0.01), and E/T (r = 0.606; P < 0.01). In a multivariate regression analysis, carotid-femoral PWV was independently determined by E/T (P < 0.01), PP (P < 0.01), age (P < 0.01), and D/P(cr) (P < 0.05). D/P(cr), in addition to E/T, age, and PP, was an independent predictor of elevated carotid-femoral PWV in CAPD patients, suggesting that there might be a link between high aortic stiffness and increased peritoneal small solute transport rate.

  18. Use of boundary fluxes when simulating solute transport with the MODFLOW ground-water transport process

    USGS Publications Warehouse

    Konikow, L.F.; Hornberger, G.Z.

    2003-01-01

    This report describes modifications to a U.S. Geological Survey (USGS) threedimensional solute-transport model (MODFLOWGWT), which is incorporated into the USGS MODFLOW ground-water model as the Ground- Water Transport (GWT) Process. The modifications improve the capability of MODFLOW-GWT to accurately simulate solute transport in simulations that represent a nonzero flux across an aquifer boundary. In such situations, the new Boundary Flux Package (BFLX) will allow the user flexibility to assign the flux to specific cell faces, although that flexibility is limited for certain types of fluxes (such as recharge and evapotranspiration, which can only be assigned to the top face if either is to be represented as a boundary flux). The approach is consistent with that used in the MODPATH model. The application of the BFLX Package was illustrated using a test case in which the Lake Package was active. The results using the BFLX Package showed noticeably higher magnitudes of velocity in the cells adjacent to the lake than previous results without the BFLX Package. Consequently, solute was transported slightly faster through the lake-aquifer system when the BFLX Package is active. However, the overall solute distributions did not differ greatly from simulations made without using the BFLX Package.

  19. JOVIAN STRATOSPHERE AS A CHEMICAL TRANSPORT SYSTEM: BENCHMARK ANALYTICAL SOLUTIONS

    SciTech Connect

    Zhang Xi; Shia Runlie; Yung, Yuk L.

    2013-04-20

    We systematically investigated the solvable analytical benchmark cases in both one- and two-dimensional (1D and 2D) chemical-advective-diffusive systems. We use the stratosphere of Jupiter as an example but the results can be applied to other planetary atmospheres and exoplanetary atmospheres. In the 1D system, we show that CH{sub 4} and C{sub 2}H{sub 6} are mainly in diffusive equilibrium, and the C{sub 2}H{sub 2} profile can be approximated by modified Bessel functions. In the 2D system in the meridional plane, analytical solutions for two typical circulation patterns are derived. Simple tracer transport modeling demonstrates that the distribution of a short-lived species (such as C{sub 2}H{sub 2}) is dominated by the local chemical sources and sinks, while that of a long-lived species (such as C{sub 2}H{sub 6}) is significantly influenced by the circulation pattern. We find that an equator-to-pole circulation could qualitatively explain the Cassini observations, but a pure diffusive transport process could not. For slowly rotating planets like the close-in extrasolar planets, the interaction between the advection by the zonal wind and chemistry might cause a phase lag between the final tracer distribution and the original source distribution. The numerical simulation results from the 2D Caltech/JPL chemistry-transport model agree well with the analytical solutions for various cases.

  20. Quantifying solute transport processes: are chemically "conservative" tracers electrically conservative?

    USGS Publications Warehouse

    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.

  1. Development and Implementation of a Transport Method for the Transport and Reaction Simulation Engine (TaRSE) based on the Godunov-Mixed Finite Element Method

    USGS Publications Warehouse

    James, Andrew I.; Jawitz, James W.; Munoz-Carpena, Rafael

    2009-01-01

    A model to simulate transport of materials in surface water and ground water has been developed to numerically approximate solutions to the advection-dispersion equation. This model, known as the Transport and Reaction Simulation Engine (TaRSE), uses an algorithm that incorporates a time-splitting technique where the advective part of the equation is solved separately from the dispersive part. An explicit finite-volume Godunov method is used to approximate the advective part, while a mixed-finite element technique is used to approximate the dispersive part. The dispersive part uses an implicit discretization, which allows it to run stably with a larger time step than the explicit advective step. The potential exists to develop algorithms that run several advective steps, and then one dispersive step that encompasses the time interval of the advective steps. Because the dispersive step is computationally most expensive, schemes can be implemented that are more computationally efficient than non-time-split algorithms. This technique enables scientists to solve problems with high grid Peclet numbers, such as transport problems with sharp solute fronts, without spurious oscillations in the numerical approximation to the solution and with virtually no artificial diffusion.

  2. Coarse grained modeling of transport properties in monoclonal antibody solution

    NASA Astrophysics Data System (ADS)

    Swan, James; Wang, Gang

    Monoclonal antibodies and their derivatives represent the fastest growing segment of the bio pharmaceutical industry. For many applications such as novel cancer therapies, high concentration, sub-cutaneous injections of these protein solutions are desired. However, depending on the peptide sequence within the antibody, such high concentration formulations can be too viscous to inject via human derived force alone. Understanding how heterogenous charge distribution and hydrophobicity within the antibodies leads to high viscosities is crucial to their future application. In this talk, we explore a coarse grained computational model of therapeutically relevant monoclonal antibodies that accounts for electrostatic, dispersion and hydrodynamic interactions between suspended antibodies to predict assembly and transport properties in concentrated antibody solutions. We explain the high viscosities observed in many experimental studies of the same biologics.

  3. Transport of reacting solutes subject to a moving dissolution boundary--Numerical methods and solutions

    USGS Publications Warehouse

    Willis, Catherine; Rubin, Jacob

    1987-01-01

    In this paper we consider examples of chemistry-affected transport processes in porous media. A moving boundary problem which arises during transport with precipitation-dissolution reactions is solved by three different numerical methods. Two of these methods (one explicit and one implicit) are based on an integral formulation of mass balance and lead to an approximation of a weak solution. These methods are compared to a front-tracking scheme. Although the two approaches are conceptually different, the numerical solutions showed good agreement. As the ratio of dispersion to convection decreases, the methods based on the integral formulation become computationally more efficient. Specific reactions were modeled to examine the dependence of the system on the physical and chemical parameters.

  4. Neutral solute transport across osteochondral interface: A finite element approach.

    PubMed

    Arbabi, Vahid; Pouran, Behdad; Weinans, Harrie; Zadpoor, Amir A

    2016-12-08

    Investigation of the solute transfer across articular cartilage and subchondral bone plate could nurture the understanding of the mechanisms of osteoarthritis (OA) progression. In the current study, we approached the transport of neutral solutes in human (slight OA) and equine (healthy) samples using both computed tomography and biphasic-solute finite element modeling. We developed a multi-zone biphasic-solute finite element model (FEM) accounting for the inhomogeneity of articular cartilage (superficial, middle and deep zones) and subchondral bone plate. Fitting the FEM model to the concentration-time curves of the cartilage and the equilibrium concentration of the subchondral plate/calcified cartilage enabled determination of the diffusion coefficients in the superficial, middle and deep zones of cartilage and subchondral plate. We found slightly higher diffusion coefficients for all zones in the human samples as compared to the equine samples. Generally the diffusion coefficient in the superficial zone of human samples was about 3-fold higher than the middle zone, the diffusion coefficient of the middle zone was 1.5-fold higher than that of the deep zone, and the diffusion coefficient of the deep zone was 1.5-fold higher than that of the subchondral plate/calcified cartilage. Those ratios for equine samples were 9, 2 and 1.5, respectively. Regardless of the species considered, there is a gradual decrease of the diffusion coefficient as one approaches the subchondral plate, whereas the rate of decrease is dependent on the type of species.

  5. Groundwater flow and solute transport modelling from within R: Development of the RMODFLOW and RMT3DMS packages.

    NASA Astrophysics Data System (ADS)

    Rogiers, Bart

    2015-04-01

    Since a few years, an increasing number of contributed R packages is becoming available, in the field of hydrology. Hydrological time series analysis packages, lumped conceptual rainfall-runoff models, distributed hydrological models, weather generators, and different calibration and uncertainty estimation methods are all available. Also a few packages are available for solving partial differential equations. Subsurface hydrological modelling is however still seldomly performed in R, or with codes interfaced with R, despite the fact that excellent geostatistical packages, model calibration/inversion options and state-of-the-art visualization libraries are available. Moreover, other popular scientific programming languages like matlab and python have packages for pre- and post-processing files of MODFLOW (Harbaugh 2005) and MT3DMS (Zheng 2010) models. To fill this gap, we present here the development versions of the RMODFLOW and RMT3DMS packages, which allow pre- and post-processing MODFLOW and MT3DMS input and output files from within R. File reading and writing functions are currently available for different packages, and plotting functions are foreseen making use of the ggplot2 package (plotting system based on the grammar of graphics; Wickham 2009). The S3 generic-function object oriented programming style is used for this. An example is provided, making modifications to an existing model, and visualization of the model output. References Harbaugh, A. (2005). MODFLOW-2005: The US Geological Survey Modular Ground-water Model--the Ground-water Flow Process, U.S. Geological Survey Techniques and Methods 6-A16 (p. 253). Wickham, H. (2009). ggplot2: elegant graphics for data analysis. Springer New York, 2009. Zheng, C. (2010). MT3DMS v5.3, a modular three-dimensional multispecies transport model for simulation of advection, dispersion and chemical reactions of contaminants in groundwater systems. Supplemental User's Guide. (p. 56).

  6. Modeling Solute Transport by DLA in Soils of Northeastern Egypt

    PubMed Central

    Hamed, Yasser Ahmed; Yasuda, Hiroshi; Persson, Magnus; Berndtsson, Ronny; Wang, Xin-ping

    2015-01-01

    Arid soils in Egypt display large variability in solute transport properties, causing problems in soil management. To characterize this variability, dye infiltration experiments were conducted on four plots representing three main soil types in northeastern Egypt. The plots represented both cultivated and uncultivated land use. The observed dye patterns displayed a large variability and especially the clay soils indicated a high degree of preferential flow. The loamy sand and sandy soils displayed a more uniform dye distribution indicating more homogeneous soil properties. The observed dye patterns were modeled using a diffusion limited aggregation (DLA) model. The DLA is a random walk model where model parameters can be optimized using genetic algorithms (GA). The DLA model reproduced the observed dye patterns for all soils in an excellent way. The best fit was obtained with a specific combination of directional random walk probabilities Pu, Pd, Pr, and Pl for each plot (correlation 0.97–0.99). To account for soil layers with different hydraulic properties a two layer DLA model was developed. For all plots the Pu (upward random walk probability) was higher for the upper more homogeneous soil layer. The overall results showed that spatial variability resulting from solute transport for the investigated soils can be modeled using a DLA approach. PMID:25790463

  7. Modeling solute transport by DLA in soils of northeastern Egypt.

    PubMed

    Hamed, Yasser Ahmed; Yasuda, Hiroshi; Persson, Magnus; Berndtsson, Ronny; Wang, Xin-ping

    2015-01-01

    Arid soils in Egypt display large variability in solute transport properties, causing problems in soil management. To characterize this variability, dye infiltration experiments were conducted on four plots representing three main soil types in northeastern Egypt. The plots represented both cultivated and uncultivated land use. The observed dye patterns displayed a large variability and especially the clay soils indicated a high degree of preferential flow. The loamy sand and sandy soils displayed a more uniform dye distribution indicating more homogeneous soil properties. The observed dye patterns were modeled using a diffusion limited aggregation (DLA) model. The DLA is a random walk model where model parameters can be optimized using genetic algorithms (GA). The DLA model reproduced the observed dye patterns for all soils in an excellent way. The best fit was obtained with a specific combination of directional random walk probabilities Pu, Pd, Pr, and Pl for each plot (correlation 0.97-0.99). To account for soil layers with different hydraulic properties a two layer DLA model was developed. For all plots the Pu (upward random walk probability) was higher for the upper more homogeneous soil layer. The overall results showed that spatial variability resulting from solute transport for the investigated soils can be modeled using a DLA approach.

  8. Polymer Dynamics Effects on Solute Transport in Hairy Nanoparticle Membranes

    NASA Astrophysics Data System (ADS)

    Buenning, Eileen; Bilchak, Connor; Durning, Christopher; Benicewicz, Brian; Sokolov, Alexei; Kumar, Sanat

    Molecular transport measurements in matrix-free grafted nanoparticle (MFGNP) films have shown remarkable enhancement of permeability and ideal selectivity of small condensable molecules and simple gases over the neat polymer melts and conventional, dispersed nanoparticle composites. Films comprised of covalently-attached poly(methyl acrylate) PMA chains to the surface of 14nm silica particles self-assemble into ordered arrays, and we postulate this structure plays an important role in regulating solute transport. This self-assembly creates interstitial spaces between the nanoparticle cores, which the polymer chains can only fill by stretching. Here we use small-angle neutron scattering (SANS), broadband dielectric spectroscopy (BDS), rheology and temperature-modulated differential scanning calorimetry (TMDSC) to probe polymer chain and segmental dynamics and investigate this hypothesis of chain stretching in MFGNP materials. We found that grafting slows both chain and segmental relaxation, and increases fragility, indicating that the chains are more ``frustrated'' in the grafted systems. We propose that the effects of the chain/surface interactions on chain dynamics leads to an increase in available free volume and thus enhances transport properties in MFGNP systems. Special thanks to the NSF GRFP and the DOE SCGSR programs.

  9. The two-dimensional transport solution within CASMO-4

    SciTech Connect

    Knott, D.; Edenius, M. )

    1993-01-01

    First-generation lattice physics codes, such as CASMO-1 through CASMO-3 (Ref. 1), were developed in an effort to analyze relatively short fuel cycles of [approximately]12 months. Fuel designs for these cycles were only mildly heterogeneous, containing a narrow range of enrichments and small loadings of burnable absorbers. The transport methods in these earlier codes, such as transmission probabilities for homogeneous cells, were more than adequate for such fuel designs. As utilities strive for longer cycle lengths, fuel designs have become far more heterogeneous, The current generation of boiling water reactor (BWR) fuel designs may contain nearly 100 fuel pins, with enrichments ranging from 2 to 5% and gadolinia loadings upward of 10% in as many as a dozen pins. In addition, these designs contain large islands of water in and around the center of the assembly and varying amounts of box wall material around the corners of the channel. Such heterogeneities require a more accurate representation at the level of the two-dimensional transport calculation, and this need has fueled interest in a new generation of lattice physics codes. In the most recent version of CASMO (i.e., CASMO-4), the two-dimensional homogeneous transmission probability module from earlier CASMO versions has been replaced with a heterogeneous characteristics solution. Although not entirely integral in nature, the characteristics method combines the most desirable features of integral transport theory (i.e., heterogeneous geometry, explicit representation of streaming, and the capability of generating an exact solution for a given set of data) with those of discrete ordinates (i.e., easy representation of anisotropic scattering and execution time that is directly proportional to problem size).

  10. Effect of natural particles on the transport of lindane in saturated porous media: Laboratory experiments and model-based analysis

    NASA Astrophysics Data System (ADS)

    Ngueleu, Stéphane K.; Grathwohl, Peter; Cirpka, Olaf A.

    2013-06-01

    Colloidal particles can act as carriers for adsorbing pollutants, such as hydrophobic organic pollutants, and enhance their mobility in the subsurface. In this study, we investigate the influence of colloidal particles on the transport of pesticides through saturated porous media by column experiments. We also investigate the effect of particle size on this transport. The model pesticide is lindane (gamma-hexachlorocyclohexane), a representative hydrophobic insecticide which has been banned in 2009 but is still used in many developing countries. The breakthrough curves are analyzed with the help of numerical modeling, in which we examine the minimum model complexity needed to simulate such transport. The transport of lindane without particles can be described by advective-dispersive transport coupled to linear three-site sorption, one site being in local equilibrium and the others undergoing first-order kinetic sorption. In the presence of mobile particles, the total concentration of mobile lindane is increased, that is, lindane is transported not only in aqueous solution but also sorbed onto the smallest, mobile particles. The models developed to simulate separate and associated transport of lindane and the particles reproduced the measurements very well and showed that the adsorption/desorption of lindane to the particles could be expressed by a common first-order rate law, regardless whether the particles are mobile, attached, or strained.

  11. A stochastic model for solute transport in macroporous soils

    SciTech Connect

    Bruggeman, A.C.; Mostaghimi, S.; Brannan, K.M.

    1999-12-01

    A stochastic, physically based, finite element model for simulating flow and solute transport in soils with macropores (MICMAC) was developed. The MICMAC model simulates preferential movement of water and solutes using a cylindrical macropore located in the center of a soil column. MICMAC uses Monte Carlo simulation to represent the stochastic processes inherent to the soil-water system. The model simulates a field as a collection of non-interacting soil columns. The random soil properties are assumed to be stationary in the horizontal direction, and ergodic over the field. A routine for the generation of correlated, non-normal random variates was developed for MICMAC's stochastic component. The model was applied to fields located in Nomini Creek Watershed, Virginia. Extensive field data were collected in fields that use either conventional or no-tillage for the evaluation of the MICMAC model. The field application suggested that the model underestimated the fast leaching of water and solutes from the root zone. However, the computed results were substantially better than the results obtained when no preferential flow component was included in the model.

  12. Solute Transport in Soils Under Conditions of Variable Flow Velocities

    NASA Astrophysics Data System (ADS)

    Ma, Liwang; Selim, H. M.

    1996-11-01

    Temporal and spatial variabilities of flow distribution significantly influence solute transport in soils. This laboratory study was designed to investigate the effects of temporal variation in flow velocity on pesticide transport in soils. Two pesticides, metribuzin (weakly adsorbed) and atrazine (moderately adsorbed), were chosen along with the following two soils: Cecil (<2 mm) and Sharkey (2-4 mm). Several tritium pulses were introduced into packed soil columns (15 or 30 cm in length) under different flow velocities to obtain velocity-dependent dispersion coefficients (D). Subsequently, several atrazine and metribuzin pulses were introduced under conditions of constant and variable velocities. For each experiment, changes in flow velocity were stepwise using a piston flow pump and were carried out during pulse application and leaching. For constant and variable flow velocity experiments, approximately similar pulse volumes and average flow velocities were maintained. Values of D versus pore water velocity (ν) from tritium breakthrough curves (BTCs) were well described using a linear equation for both soils. Identical BTCs for metribuzin were observed under conditions of constant or variable flow velocities in the Cecil soil column. However, metribuzin transport in the Sharkey soil was significantly influenced by velocity variations. Atrazine transport in the Sharkey soil was also significantly affected by variations in flow velocity. We further examined the error when an average rather than actual velocity distribution was used in BTC representation. The resulting experimental BTCs (concentration versus velocity-averaged pore volume) exhibited early arrival and the appearance of multiple peaks. Moreover, predictions of such BTCs based on the convective-dispersive equation were not successful. We concluded that actual water velocity distributions should be used in BTC representation, and, whenever possible, the use of an average velocity should be avoided.

  13. Effect of viscoelastic relaxation on moisture transport in foods. Part I: solution of general transport equation.

    PubMed

    Singh, Pawan P; Maier, Dirk E; Cushman, John H; Haghighi, Kamyar; Corvalan, Carlos

    2004-07-01

    Within the framework of continuum mechanics, Singh et al. developed an integro-differential equation, which applies to both Darcian (Fickian) and non-Darcian (non-Fickian) modes of fluid transport in swelling biological systems. A dimensionless form of the equation was obtained and transformed from moving Eulerian to the stationary Lagrangian coordinates. Here a solution scheme for the transport equation is developed to predict moisture transport and viscoelastic stresses in spheroidal biopolymeric materials. The equation was solved numerically and results used for predicting drying and sorption curves, moisture profiles, and viscoelastic stresses in soybeans. The Lagrangian solution was obtained by assembling together several schemes: the finite element method was used to discretize the equation in space; non-linearity was addressed using the Newton-Raphson method; the Volterra term was handled via a time integration scheme of Patlashenko et al. and the Galerkin rule was used to solve the time-differential term. The solution obtained in Lagrangian coordinates was transformed back to the Eulerian coordinates. In part II of this sequence we present the numerical results.

  14. Stable water isotopes in pore water of Jurassic argillaceous rocks as tracers for solute transport over large spatial and temporal scales

    NASA Astrophysics Data System (ADS)

    Gimmi, T.; Waber, H. N.; Gautschi, A.; Rübel, A.

    2007-04-01

    In order to characterize the large-scale transport properties of the Opalinus Clay formation, the pore water isotope composition (δ18O and δ2H) was determined on samples from the deep borehole Benken (northeastern Switzerland) across Jurassic argillaceous rocks. The sequence of claystones and marls, delimited by two aquifers, is located at depth from about 400 to 700 m and exhibits very low hydraulic conductivities (below 10-13 m s-1). The isotope data of the pore water were obtained from core samples by diffusive vapor equilibration, vacuum distillation, and squeezing. Compared with the other methods, vacuum distillation led to too low values. To evaluate the large-scale transport properties of the formation, we performed a series of advective-dispersive model calculations and compared them with the experimental data. In accordance with the hydrogeological history, we varied initial and boundary conditions as well as model parameters. The main results can be summarized as follows: (1) Molecular diffusion to the underlying aquifer can explain the general features of the isotope profiles, (2) no signatures of advective flow could be detected, (3) the evolution time is of the order of 0.5-1 Ma (relying on laboratory diffusion coefficients) with a possible range of about 0.2-2 Ma, which is geologically plausible, and (4) parameters measured on small scales (centimeters or meters and months) are also plausible at the formation scale (tens of meters and millions of years) for the sediments investigated.

  15. A comparison of solute-transport solution techniques based on inverse modelling results

    USGS Publications Warehouse

    Mehl, S.; Hill, M.C.

    2000-01-01

    Five common numerical techniques (finite difference, predictor-corrector, total-variation-diminishing, method-of-characteristics, and modified-method-of-characteristics) were tested using simulations of a controlled conservative tracer-test experiment through a heterogeneous, two-dimensional sand tank. The experimental facility was constructed using randomly distributed homogeneous blocks of five sand types. This experimental model provides an outstanding opportunity to compare the solution techniques because of the heterogeneous hydraulic conductivity distribution of known structure, and the availability of detailed measurements with which to compare simulated concentrations. The present work uses this opportunity to investigate how three common types of results-simulated breakthrough curves, sensitivity analysis, and calibrated parameter values-change in this heterogeneous situation, given the different methods of simulating solute transport. The results show that simulated peak concentrations, even at very fine grid spacings, varied because of different amounts of numerical dispersion. Sensitivity analysis results were robust in that they were independent of the solution technique. They revealed extreme correlation between hydraulic conductivity and porosity, and that the breakthrough curve data did not provide enough information about the dispersivities to estimate individual values for the five sands. However, estimated hydraulic conductivity values are significantly influenced by both the large possible variations in model dispersion and the amount of numerical dispersion present in the solution technique.Five common numerical techniques (finite difference, predictor-corrector, total-variation-diminishing, method-of-characteristics, and modified-method-of-characteristics) were tested using simulations of a controlled conservative tracer-test experiment through a heterogeneous, two-dimensional sand tank. The experimental facility was constructed using randomly

  16. Effects of isotope selection on solution convergence in HZE transport

    NASA Technical Reports Server (NTRS)

    Kim, Myung-Hee Y.; Wilson, John W.; Kiefer, Richard L.; Thibeault, Sheila A.

    1994-01-01

    A fragmenting iron ion produces hundreds of isotopes during nuclear reactions. These isotopes are represented in the solution of the transport problem. A reduced set of isotopes is selected to minimize the computational burden but introduces error in the final result. A minimum list of 122 isotopes is required for adequate representation of the mass and charge distributions of the secondary radiation fields. A reduced set of 80 isotopes is sufficient to represent the charge distribution alone and represents reasonably well the linear energy transfer properties of the iron beam. Because iron fragmentation produces nearly every isotope lighter than iron, the resulting 122-isotope list should be adequate for ion beams with charges equal to or less than 26.

  17. Coupling of solute transport and cell expansion in pea stems

    NASA Technical Reports Server (NTRS)

    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.

  18. Transport of Graphene Oxide through Porous Media

    NASA Astrophysics Data System (ADS)

    Duster, T. A.; Na, C.; Bolster, D.; Fein, J. B.

    2012-12-01

    Graphene oxide (GO) is comprised of anisotropic nanosheets decorated with covalently-bonded epoxide, ketone, and hydroxyl functional groups on the basal planes, and carboxylic and phenolic functional groups at the edges. Individual GO nanosheets are generally two to three micrometers in width, with thicknesses depending on the degree of exfoliation and typically ranging from one to approximately 100 nanometers. As a result of this extraordinarily large surface area-to-mass ratio and the presence of numerous proton-active functional groups, GO nanosheets exhibit a tremendous capacity to adsorb metals and other contaminants from aqueous solutions and are thus often suggested for use in in situ remediation efforts. The potential importance of GO nanosheets as an adsorbent in soil and groundwater necessitates a detailed understanding of their mobility in environmental systems, but this topic remains largely unexplored. Hence, the objective of this study was to investigate the transport behavior of GO nanosheets through well-characterized saturated porous media. In this study, we used replicate glass columns packed with two different sand grain sizes, and within each treatment we varied pH (5.5 to 8.5), ionic strength (<0.01 M to 0.1 M), electrolyte composition (Na+ and Ca2+ salts), and GO nanosheet exfoliation extent (few-layered and many-layered) to determine the relative influence of both physical and electrochemical properties on GO nanosheet transport in these systems. The break-through of GO nanosheets from each treatment was continuously monitored using a flow-through quartz cuvette and UV-Vis absorbance at 230 nm. GO nanosheet transport through these systems was then modeled using distinct advection-dispersion equations to establish the relative influence of attachment, deposition, and detachment in the overall transport behavior, and a corresponding retardation coefficient was calculated for each treatment. Break-through curves displayed anomalous transport

  19. An exact solution of solute transport by one-dimensional random velocity fields

    USGS Publications Warehouse

    Cvetkovic, V.D.; Dagan, G.; Shapiro, A.M.

    1991-01-01

    The problem of one-dimensional transport of passive solute by a random steady velocity field is investigated. This problem is representative of solute movement in porous media, for example, in vertical flow through a horizontally stratified formation of variable porosity with a constant flux at the soil surface. Relating moments of particle travel time and displacement, exact expressions for the advection and dispersion coefficients in the Focker-Planck equation are compared with the perturbation results for large distances. The first- and second-order approximations for the dispersion coefficient are robust for a lognormal velocity field. The mean Lagrangian velocity is the harmonic mean of the Eulerian velocity for large distances. This is an artifact of one-dimensional flow where the continuity equation provides for a divergence free fluid flux, rather than a divergence free fluid velocity. ?? 1991 Springer-Verlag.

  20. Advances in colloid and biocolloid transport in porous media: particle size-dependent dispersivity and gravity effects

    NASA Astrophysics Data System (ADS)

    Chrysikopoulos, Constantinos V.; Manariotis, Ioannis D.; Syngouna, Vasiliki I.

    2014-05-01

    Accurate prediction of colloid and biocolloid transport in porous media relies heavily on usage of suitable dispersion coefficients. The widespread procedure for dispersion coefficient determination consists of conducting conservative tracer experiments and subsequently fitting the collected breakthrough data with a selected advection-dispersion transport model. The fitted dispersion coefficient is assumed to characterize the porous medium and is often used thereafter to analyze experimental results obtained from the same porous medium with other solutes, colloids, and biocolloids. The classical advection-dispersion equation implies that Fick's first law of diffusion adequately describes the dispersion process, or that the dispersive flux is proportional to the concentration gradient. Therefore, the above-described procedure inherently assumes that the dispersive flux of all solutes, colloids and biocolloids under the same flow field conditions is exactly the same. Furthermore, the available mathematical models for colloid and biocoloid transport in porous media do not adequately account for gravity effects. Here an extensive laboratory study was undertaken in order to assess whether the dispersivity, which traditionally has been considered to be a property of the porous medium, is dependent on colloid particle size, interstitial velocity and length scale. The breakthrough curves were successfully simulated with a mathematical model describing colloid and biocolloid transport in homogeneous, water saturated porous media. The results demonstrated that the dispersivity increases very slowly with increasing interstitial velocity, and increases with column length. Furthermore, contrary to earlier results, which were based either on just a few experimental observations or experimental conditions leading to low mass recoveries, dispersivity was positively correlated with colloid particle size. Also, transport experiments were performed with biocolloids (bacteriophages:

  1. Solution processed metal oxide thin film hole transport layers for high performance organic solar cells

    DOEpatents

    Steirer, K. Xerxes; Berry, Joseph J.; Chesin, Jordan P.; Lloyd, Matthew T.; Widjonarko, Nicodemus Edwin; Miedaner, Alexander; Curtis, Calvin J.; Ginley, David S.; Olson, Dana C.

    2017-01-10

    A method for the application of solution processed metal oxide hole transport layers in organic photovoltaic devices and related organic electronics devices is disclosed. The metal oxide may be derived from a metal-organic precursor enabling solution processing of an amorphous, p-type metal oxide. An organic photovoltaic device having solution processed, metal oxide, thin-film hole transport layer.

  2. Molybdate transport in a chemically complex aquifer: Field measurements compared with solute-transport model predictions

    USGS Publications Warehouse

    Stollenwerk, K.G.

    1998-01-01

    A natural-gradient tracer test was conducted in an unconfined sand and gravel aquifer on Cape Cod, Massachusetts. Molybdate was included in the injectate to study the effects of variable groundwater chemistry on its aqueous distribution and to evaluate the reliability of laboratory experiments for identifying and quantifying reactions that control the transport of reactive solutes in groundwater. Transport of molybdate in this aquifer was controlled by adsorption. The amount adsorbed varied with aqueous chemistry that changed with depth as freshwater recharge mixed with a plume of sewage-contaminated groundwater. Molybdate adsorption was strongest near the water table where pH (5.7) and the concentration of the competing solutes phosphate (2.3 micromolar) and sulfate (86 micromolar) were low. Adsorption of molybdate decreased with depth as pH increased to 6.5, phosphate increased to 40 micromolar, and sulfate increased to 340 micromolar. A one-site diffuse-layer surface-complexation model and a two-site diffuse-layer surface-complexation model were used to simulate adsorption. Reactions and equilibrium constants for both models were determined in laboratory experiments and used in the reactive-transport model PHAST to simulate the two-dimensional transport of molybdate during the tracer test. No geochemical parameters were adjusted in the simulation to improve the fit between model and field data. Both models simulated the travel distance of the molybdate cloud to within 10% during the 2-year tracer test; however, the two-site diffuse-layer model more accurately simulated the molybdate concentration distribution within the cloud.

  3. Effects of temperature on graphene oxide deposition and transport in saturated porous media.

    PubMed

    Wang, Mei; Gao, Bin; Tang, Deshan; Sun, Huimin; Yin, Xianqiang; Yu, Congrong

    2017-06-05

    Laboratory batch sorption and sand column experiments were conducted to examine the effects of temperature (6 and 24°C) on the retention and transport of GO in water-saturated porous media with different combination of solution ionic strength (IS, 1 and 10mM), sand type (natural and acid-cleaned), and grain size (coarse and fine). Although results from batch sorption experiment showed that temperature affected the sorption of GO onto the sand grains at the low IS, the interactions between GO and the sand were relatively weak, which did make the temperature effect prominent. When the IS was 1mM, experimental temperature showed little effect on GO retention and transport regardless of the medium properties. GO was highly mobile in the sand columns with mass recovery rates ranged from 77.3% to 92.4%. When the IS increased to 10mM, temperature showed notable effects on GO retention and transport in saturated porous media. For all the combinations of sand type and grain size, the higher the temperature was, the less mobile GO particles were. The effects of temperature on GO retention and transport in saturated porous media were further verified though simulations from an advection-dispersion-reaction model.

  4. Incorporating Super-Diffusion due to Sub-Grid Heterogeneity to Capture Non-Fickian Transport.

    PubMed

    Baeumer, Boris; Zhang, Yong; Schumer, Rina

    2015-01-01

    Numerical transport models based on the advection-dispersion equation (ADE) are built on the assumption that sub-grid cell transport is Fickian such that dispersive spreading around the average velocity is symmetric and without significant tailing on the front edge of a solute plume. However, anomalous diffusion in the form of super-diffusion due to preferential pathways in an aquifer has been observed in field data, challenging the assumption of Fickian dispersion at the local scale. This study develops a fully Lagrangian method to simulate sub-grid super-diffusion in a multidimensional regional-scale transport model by using a recent mathematical model allowing super-diffusion along the flow direction given by the regional model. Here, the time randomizing procedure known as subordination is applied to flow field output from MODFLOW simulations. Numerical tests check the applicability of the novel method in mapping regional-scale super-diffusive transport conditioned on local properties of multidimensional heterogeneous media.

  5. Product Lifecycle Management and the Quest for Sustainable Space Transportation Solutions

    NASA Technical Reports Server (NTRS)

    Caruso, Pamela W.

    2009-01-01

    This viewgraph presentation reviews NASA Marshall's effort to sustain space transportation solutions through product lines that include: 1) Propulsion and Transportation Systems; 2) Life Support Systems; and 3) and Earth and Space Science Spacecraft Systems, and Operations.

  6. The effects of a perturbed source on contaminant transport near the Weldon Spring quarry

    SciTech Connect

    Tomasko, D.

    1989-03-01

    The effects of a perturbed contamination source at the Weldon Spring quarry in St. Charles County, Missouri, on downstream solute concentrations were investigated using one-dimensional analytical solutions to an advection-dispersion equation developed for both constant-strength and multiple-stepped source functions. A sensitivity study using parameter base-case values and ranges consistent with the geologic conceptualization of the quarry area indicates that the parameters having the greatest effect on predicted concentrations are the distance from the quarry to the point of interest, the average linear groundwater velocity, the contaminant retardation coefficient, and the amplitude and duration of the source perturbation caused by response action activities. Use of base-case parameter value and realistic values for the amplitude and duration of the source perturbation produced a small effect on solute concentrations near the western extremity of the nearby municipal well field, as well as small uncertainties in the predicted results for the assumed model. The effect of simplifying assumptions made in deriving the analytic solution is unknown: use of a multidimensional flow and transport model and additional field work are needed to validate the model. 13 refs., 18 figs.

  7. Linear dynamic system approach to groundwater solute transport equation

    SciTech Connect

    Cho, W.C.

    1984-01-01

    Groundwater pollution in the United States has been recognized in the 1980's to be extensive both in degree and geographic distribution. It has been recognized that in many cases groundwater pollution is essentially irreversible from the engineering or economic viewpoint. Under the best circumstance the problem is complicated by insufficient amounts of field data which is costly to obtain. In general, the governing partial differential equation of solute transport is spatially discretized either using finite difference or finite element scheme. The time derivative is also approximated by finite difference. In this study, only the spatial discretization is performed using finite element method and the time derivative is retained in continuous form. The advantage is that special features of finite element are maintained but most important of all is that the equation can be rearranged to be in a standard form of linear dynamic system. Two problems were studied in detail: one is the determination of the locatio of groundwater pollution source(s). The problem is equivalent to identifying an input to the dynamic system and is solved by using the sensitivity theorem. The other one is the prediction of pollutant concentration at a given time at a given location. The eigenvalue technique was employed to solve this problem and the detailed procedures of the computation were delineated.

  8. A Functional-Phylogenetic Classification System for Transmembrane Solute Transporters

    PubMed Central

    Saier, Milton H.

    2000-01-01

    A comprehensive classification system for transmembrane molecular transporters has been developed and recently approved by the transport panel of the nomenclature committee of the International Union of Biochemistry and Molecular Biology. This system is based on (i) transporter class and subclass (mode of transport and energy coupling mechanism), (ii) protein phylogenetic family and subfamily, and (iii) substrate specificity. Almost all of the more than 250 identified families of transporters include members that function exclusively in transport. Channels (115 families), secondary active transporters (uniporters, symporters, and antiporters) (78 families), primary active transporters (23 families), group translocators (6 families), and transport proteins of ill-defined function or of unknown mechanism (51 families) constitute distinct categories. Transport mode and energy coupling prove to be relatively immutable characteristics and therefore provide primary bases for classification. Phylogenetic grouping reflects structure, function, mechanism, and often substrate specificity and therefore provides a reliable secondary basis for classification. Substrate specificity and polarity of transport prove to be more readily altered during evolutionary history and therefore provide a tertiary basis for classification. With very few exceptions, a phylogenetic family of transporters includes members that function by a single transport mode and energy coupling mechanism, although a variety of substrates may be transported, sometimes with either inwardly or outwardly directed polarity. In this review, I provide cross-referencing of well-characterized constituent transporters according to (i) transport mode, (ii) energy coupling mechanism, (iii) phylogenetic grouping, and (iv) substrates transported. The structural features and distribution of recognized family members throughout the living world are also evaluated. The tabulations should facilitate familial and functional

  9. Peritoneal Fluid Transport rather than Peritoneal Solute Transport Associates with Dialysis Vintage and Age of Peritoneal Dialysis Patients.

    PubMed

    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.

  10. Langevin model for reactive transport in porous media

    NASA Astrophysics Data System (ADS)

    Tartakovsky, Alexandre M.

    2010-08-01

    Existing continuum models for reactive transport in porous media tend to overestimate the extent of solute mixing and mixing-controlled reactions because the continuum models treat both the mechanical and diffusive mixings as an effective Fickian process. Recently, we have proposed a phenomenological Langevin model for flow and transport in porous media [A. M. Tartakovsky, D. M. Tartakovsky, and P. Meakin, Phys. Rev. Lett. 101, 044502 (2008)10.1103/PhysRevLett.101.044502]. In the Langevin model, the fluid flow in a porous continuum is governed by a combination of a Langevin equation and a continuity equation. Pore-scale velocity fluctuations, the source of mechanical dispersion, are represented by the white noise. The advective velocity (the solution of the Langevin flow equation) causes the mechanical dispersion of a solute. Molecular diffusion and sub-pore-scale Taylor-type dispersion are modeled by an effective stochastic advection-diffusion equation. Here, we propose a method for parameterization of the model for a synthetic porous medium, and we use the model to simulate multicomponent reactive transport in the porous medium. The detailed comparison of the results of the Langevin model with pore-scale and continuum (Darcy) simulations shows that: (1) for a wide range of Peclet numbers the Langevin model predicts the mass of reaction product more accurately than the Darcy model; (2) for small Peclet numbers predictions of both the Langevin and the Darcy models agree well with a prediction of the pore-scale model; and (3) the accuracy of the Langevin and Darcy model deteriorates with the increasing Peclet number but the accuracy of the Langevin model decreases more slowly than the accuracy of the Darcy model. These results show that the separate treatment of advective and diffusive mixing in the stochastic transport model is more accurate than the classical advection-dispersion theory, which uses a single effective diffusion coefficient (the dispersion

  11. Modeling water flow and pesticide transport at five experimental sites in Hawaii, USA

    NASA Astrophysics Data System (ADS)

    Dusek, Jaromir; Ray, Chittaranjan; Dohnal, Michal; Vogel, Tomas

    2010-05-01

    The field pesticide leaching experiment, conducted at five different sites in Hawaii, USA was subject to numerical modeling. The one-dimensional model, based on Richards equation for water flow and the advection-dispersion equation for solute transport was used. At each site, pressure head data and chemical concentration profiles were measured during a 16-week study period. Hydraulic parameters governing the flow of water in soils were determined independently in the laboratory; however inverse modeling was employed to reduce the differences between measured and simulated pressure heads. Laboratory-measured values of sorption distribution coefficient and half-life were used as input for the model. In an alternative scenario, the reactive transport parameters were also adjusted for improved fit with measured concentration profiles. For some pesticides, reasonable agreement between data and model predictions was difficult to obtain even for scenarios based on inverse modeling of soil water and transport parameters. The observed chemical profiles in the soil did not provide sufficient information needed for predicting the mass flux of pesticides toward the water table. Thus, for pesticides showing good match with measured concentration profiles the mass flux leaving the soil profile was evaluated by the model.

  12. Effects of unstable flow on solute transport in the marsh soil and exchange with coastal water

    NASA Astrophysics Data System (ADS)

    Shen, Chengji; Zhang, Chenming; Jin, Guangqiu; Kong, Jun; Li, Ling

    2016-12-01

    Recent studies of marsh hydraulics have focused on tide-induced pore water circulation as the main drive for solute transport in the marsh soil and exchange with coastal water. Our study revealed another important mechanism provided by unstable fingering flow, which largely modified solute transport paths. In the marsh interior, downward penetration of salt fingers forced ambient pore water and solute plumes to move upward and exit the marsh soil through marsh platform at relatively high concentrations, up to 2 orders of magnitude higher than exit solute concentrations at the tidal creek bed. The mixing of solute with ambient pore water in the marsh interior was intensified greatly by fingering flow. A critical distance to the creek was determined based on a field-scale model simulation to distinguish tidal circulation-dominated and fingering flow-dominated solute transport zones. The new transport mechanism has implications for understanding the fate of solutes in particularly salt marshes of low creek densities.

  13. Hydrogeochemistry and simulated solute transport, Piceance Basin, northwestern Colorado

    USGS Publications Warehouse

    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)

  14. Hydrogeochemistry and simulated solute transport, Piceance Basin, northwestern Colorado

    USGS Publications Warehouse

    Robson, Stanley G.; Saulnier, George J.

    1980-01-01

    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 groundwater 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 occurring in the aquifer. Model simulations of groundwater pumpage in tracts C-a and C-b indicate that the altered direction of groundwater movement near the pumped mines will cause an improvement in groundwater 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 groundwater 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 groundwater quality. (USGS)

  15. Solute transport and oxygen consumption along the nephrons: effects of Na+ transport inhibitors.

    PubMed

    Layton, Anita T; Laghmani, Kamel; Vallon, Volker; Edwards, Aurélie

    2016-12-01

    Sodium and its associated anions are the major determinant of extracellular fluid volume, and the reabsorption of Na(+) by the kidney plays a crucial role in long-term blood pressure control. The goal of this study was to investigate the extent to which inhibitors of transepithelial Na(+) transport (TNa) along the nephron alter urinary solute excretion and TNa efficiency and how those effects may vary along different nephron segments. To accomplish that goal, we used the multinephron model developed in the companion study (28). That model represents detailed transcellular and paracellular transport processes along the nephrons of a rat kidney. We simulated the inhibition of the Na(+)/H(+) exchanger (NHE3), the bumetanide-sensitive Na(+)-K(+)-2Cl(-) transporter (NKCC2), the Na(+)-Cl(-) cotransporter (NCC), and the amiloride-sensitive Na(+) channel (ENaC). Under baseline conditions, NHE3, NKCC2, NCC, and ENaC reabsorb 36, 22, 4, and 7%, respectively, of filtered Na(+) The model predicted that inhibition of NHE3 substantially reduced proximal tubule TNa and oxygen consumption (QO2 ). Whole-kidney TNa efficiency, as reflected by the number of moles of Na(+) reabsorbed per moles of O2 consumed (denoted by the ratio TNa/QO2 ), decreased by ∼20% with 80% inhibition of NHE3. NKCC2 inhibition simulations predicted a substantial reduction in thick ascending limb TNa and QO2 ; however, the effect on whole-kidney TNa/QO2 was minor. Tubular K(+) transport was also substantially impaired, resulting in elevated urinary K(+) excretion. The most notable effect of NCC inhibition was to increase the excretion of Na(+), K(+), and Cl(-); its impact on whole-kidney TNa and its efficiency was minor. Inhibition of ENaC was predicted to have opposite effects on the excretion of Na(+) (increased) and K(+) (decreased) and to have only a minor impact on whole-kidney TNa and TNa/QO2 Overall, model predictions agree well with measured changes in Na(+) and K(+) excretion in response to

  16. Demonstrations in Solute Transport Using Dyes: Part II. Modeling.

    ERIC Educational Resources Information Center

    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)

  17. Water flow and solute transport in floating fen root mats

    NASA Astrophysics Data System (ADS)

    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.

  18. Isolated effects of external bath osmolality, solute concentration, and electrical charge on solute transport across articular cartilage.

    PubMed

    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.

  19. A biomechanical triphasic approach to the transport of nondilute solutions in articular cartilage.

    PubMed

    Abazari, Alireza; Elliott, Janet A W; Law, Garson K; McGann, Locksley E; Jomha, Nadr M

    2009-12-16

    Biomechanical models for biological tissues such as articular cartilage generally contain an ideal, dilute solution assumption. In this article, a biomechanical triphasic model of cartilage is described that includes nondilute treatment of concentrated solutions such as those applied in vitrification of biological tissues. The chemical potential equations of the triphasic model are modified and the transport equations are adjusted for the volume fraction and frictional coefficients of the solutes that are not negligible in such solutions. Four transport parameters, i.e., water permeability, solute permeability, diffusion coefficient of solute in solvent within the cartilage, and the cartilage stiffness modulus, are defined as four degrees of freedom for the model. Water and solute transport in cartilage were simulated using the model and predictions of average concentration increase and cartilage weight were fit to experimental data to obtain the values of the four transport parameters. As far as we know, this is the first study to formulate the solvent and solute transport equations of nondilute solutions in the cartilage matrix. It is shown that the values obtained for the transport parameters are within the ranges reported in the available literature, which confirms the proposed model approach.

  20. Chill activation of compatible solute transporters in Corynebacterium glutamicum at the level of transport activity.

    PubMed

    Ozcan, Nuran; Krämer, Reinhard; Morbach, Susanne

    2005-07-01

    The gram-positive soil bacterium Corynebacterium glutamicum harbors four osmoregulated secondary uptake systems for compatible solutes, BetP, EctP, LcoP, and ProP. When reconstituted in proteoliposomes, BetP was shown to sense hyperosmotic conditions via the increase in luminal K(+) and to respond by instant activation. To study further putative ways of stimulus perception and signal transduction, we have investigated the responses of EctP, LcoP, and BetP, all belonging to the betaine-carnitine-choline transporter family, to chill stress at the level of activity. When fully activated by hyperosmotic stress, they showed the expected increase of activity at increasing temperature. In the absence of osmotic stress, EctP was not activated by chill and LcoP to only a very low extent, whereas BetP was significantly stimulated at low temperature. BetP was maximally activated at 10 degrees C, reaching the same transport rate as that observed under hyperosmotic conditions at this temperature. A role of cytoplasmic K(+) in chill-dependent activation of BetP was ruled out, since (i) the cytoplasmic K(+) concentration did not change significantly at lower temperatures and (ii) a mutant BetP lacking the C-terminal 25 amino acids, which was previously shown to have lost the ability to be activated by luminal K(+), was fully competent in chill sensing. When heterologously expressed in Escherichia coli, BetP did not respond to chill stress. This may indicate that the membrane in which BetP is inserted plays an important role in chill activation and thus in signal transduction by BetP, different from the previously established K(+)-mediated process.

  1. CFD modeling of fluid flow and solute transport in a µXCT scanned natural fracture: Impact of fracture geometry on solute transport

    NASA Astrophysics Data System (ADS)

    Huber, F. M.; Enzmann, F.; Wenka, A.; Dentz, M.; Schaefer, T.

    2010-12-01

    Fluid flow and solute transport through fractures are a key process in both industrial and scientific issues ranging from e.g. geothermal energy production to the disposal of nuclear waste in deep geologic formations. Therefore, a fundamental understanding of the various interdependent processes governing fluid flow and solute transport in fractures over a broad range of length and time scales is of utmost importance. Numerous studies have shown the importance of fracture geometry on flow and solute transport. More recently, significance of so called recirculation zones which are accessible for solutes and colloids through hydrodynamic dispersion and molecular diffusion have been identified [1,2] which can be responsible for pronounced late time solute breakthrough (tailing). Unfortunately, these studies are mostly focused on 2D. Thus, the intention of the prevailing study is to investigate the influence of fracture geometry on solute transport under a broad range of flow conditions (Pe number from 0.1 up to 1000) and as a function of flow direction (that is, reversed flow direction) both in 2D and 3D. We present µXCT measurements with a spatial resolution of 80 µm of a natural single fracture in a diorite drill core from Äspö, Sweden, which serves as direct input for computational mesh generation in order to obtain a realistic 3D model. Besides, a 2D model was produced by projecting the 3D mesh into the x-y-plane to completely exclude the fracture aperture information. Computational fluid dynamic simulations in 2D and 3D have been conducted to study fluid flow and conservative tracer (HTO) transport by means of the finite volume code FLUENT. The natural fracture exhibits a very complex geometry with asperities, rough side walls and a heterogenous aperture distribution. Furthermore, the µXCT data clearly shows that the fracture is not filled with fault gauge material. Simulation results confirm the impact of fracture geometry/roughness on fluid flow causing

  2. Phosphate transporters: a tale of two solute carrier families.

    PubMed

    Virkki, Leila V; Biber, Jürg; Murer, Heini; Forster, Ian C

    2007-09-01

    Phosphate is an essential component of life and must be actively transported into cells against its electrochemical gradient. In vertebrates, two unrelated families of Na+ -dependent P(i) transporters carry out this task. Remarkably, the two families transport different P(i) species: whereas type II Na+/P(i) cotransporters (SCL34) prefer divalent HPO(4)(2-), type III Na(+)/P(i) cotransporters (SLC20) transport monovalent H2PO(4)(-). The SCL34 family comprises both electrogenic and electroneutral members that are expressed in various epithelia and other polarized cells. Through regulated activity in apical membranes of the gut and kidney, they maintain body P(i) homeostasis, and in salivary and mammary glands, liver, and testes they play a role in modulating the P(i) content of luminal fluids. The two SLC20 family members PiT-1 and PiT-2 are electrogenic and ubiquitously expressed and may serve a housekeeping role for cell P(i) homeostasis; however, also more specific roles are emerging for these transporters in, for example, bone mineralization. In this review, we focus on recent advances in the characterization of the transport kinetics, structure-function relationships, and physiological implications of having two distinct Na+/P(i) cotransporter families.

  3. Smoothed Particle Hydrodynamics Stochastic Model for Flow and Transport in Porous Media

    SciTech Connect

    Tartakovsky, Alexandre M.; Tartakovsky, Daniel M.; Meakin, Paul

    2008-11-03

    A meso-scale stochastic Lagrangian particle model was developed and used to simulate conservative and reactive transport in porous media. In the stochastic model, the fluid flow in a porous continuum is governed by a combination of a Langevin equation and continuity equation. Pore-scale velocity fluctuations, the source of hydrodynamic dispersion, are represented by the white noise. A smoothed particle hydrodynamics method was used to solve the governing equations. Changes in the properties of the fluid particles (e.g., the solute concentration) are governed by the advection-diffusion equation. The separate treatment of advective and diffusive mixing in the stochastic transport model is more realistic than the classical advection-dispersion theory, which uses a single effective diffusion coefficient (the dispersion coefficient) to describe both types of mixing leading to over-prediction of mixing induced effective reaction rates. The stochastic model predicts much lower reaction product concentrations in mixing induced reactions. In addition, the dispersion theory predicts more stable fronts (with a higher effective fractal dimension) than the stochastic model during the growth of Rayleigh-Taylor instabilities.

  4. Modeling microorganism transport and survival in the subsurface.

    PubMed

    Bradford, Scott A; Wang, Yusong; Kim, Hyunjung; Torkzaban, Saeed; Šimůnek, Jiri

    2014-03-01

    An understanding of microbial transport and survival in the subsurface is needed for public health, environmental applications, and industrial processes. Much research has therefore been directed to quantify mechanisms influencing microbial fate, and the results demonstrate a complex coupling among many physical, chemical, and biological factors. Mathematical models can be used to help understand and predict the complexities of microbial transport and survival in the subsurface under given assumptions and conditions. This review highlights existing model formulations that can be used for this purpose. In particular, we discuss models based on the advection-dispersion equation, with terms for kinetic retention to solid-water and/or air-water interfaces; blocking and ripening; release that is dependent on the resident time, diffusion, and transients in solution chemistry, water velocity, and water saturation; and microbial decay (first-order and Weibull) and growth (logistic and Monod) that is dependent on temperature, nutrient concentration, and/or microbial concentration. We highlight a two-region model to account for microbe migration in the vicinity of a solid phase and use it to simulate the coupled transport and survival of species under a variety of environmentally relevant scenarios. This review identifies challenges and limitations of models to describe and predict microbial transport and survival. In particular, many model parameters have to be optimized to simulate a diversity of observed transport, retention, and survival behavior at the laboratory scale. Improved theory and models are needed to predict the fate of microorganisms in natural subsurface systems that are highly dynamic and heterogeneous.

  5. Analytical solutions for solute transport in groundwater and riverine flow using Green's Function Method and pertinent coordinate transformation method

    NASA Astrophysics Data System (ADS)

    Sanskrityayn, Abhishek; Suk, Heejun; Kumar, Naveen

    2017-04-01

    In this study, analytical solutions of one-dimensional pollutant transport originating from instantaneous and continuous point sources were developed in groundwater and riverine flow using both Green's Function Method (GFM) and pertinent coordinate transformation method. Dispersion coefficient and flow velocity are considered spatially and temporally dependent. The spatial dependence of the velocity is linear, non-homogeneous and that of dispersion coefficient is square of that of velocity, while the temporal dependence is considered linear, exponentially and asymptotically decelerating and accelerating. Our proposed analytical solutions are derived for three different situations depending on variations of dispersion coefficient and velocity, respectively which can represent real physical processes occurring in groundwater and riverine systems. First case refers to steady solute transport situation in steady flow in which dispersion coefficient and velocity are only spatially dependent. The second case represents transient solute transport in steady flow in which dispersion coefficient is spatially and temporally dependent while the velocity is spatially dependent. Finally, the third case indicates transient solute transport in unsteady flow in which both dispersion coefficient and velocity are spatially and temporally dependent. The present paper demonstrates the concentration distribution behavior from a point source in realistically occurring flow domains of hydrological systems including groundwater and riverine water in which the dispersivity of pollutant's mass is affected by heterogeneity of the medium as well as by other factors like velocity fluctuations, while velocity is influenced by water table slope and recharge rate. Such capabilities give the proposed method's superiority about application of various hydrological problems to be solved over other previously existing analytical solutions. Especially, to author's knowledge, any other solution doesn

  6. A dual-porosity model for simulating solute transport in oil shale

    USGS Publications Warehouse

    Glover, K.C.

    1987-01-01

    A model is described for simulating three-dimensional groundwater flow and solute transport in oil shale and associated geohydrologic units. The model treats oil shale as a dual-porosity medium by simulating flow and transport within fractures using the finite-element method. Diffusion of solute between fractures and the essentially static water of the shale matrix is simulated by including an analytical solution that acts as a source-sink term to the differential equation of solute transport. While knowledge of fracture orientation and spacing is needed to effectively use the model, it is not necessary to map the locations of individual fractures. The computer program listed in the report incorporates many of the features of previous dual-porosity models while retaining a practical approach to solving field problems. As a result the theory of solute transport is not extended in any appreciable way. The emphasis is on bringing together various aspects of solute transport theory in a manner that is particularly suited to the unusual groundwater flow and solute transport characteristics of oil shale systems. (Author 's abstract)

  7. KINEMATIC MODELING OF MULTIPHASE SOLUTE TRANSPORT IN THE VADOSE ZONE

    EPA Science Inventory

    The goal of this research was the development of a computationally efficient simulation model for multiphase flow of organic hazardous waste constituents in the shallow soil environment. Such a model is appropriate for investigation of fate and transport of organic chemicals intr...

  8. A multi-species reactive transport model to estimate biogeochemical rates based on single-well push-pull test data

    NASA Astrophysics Data System (ADS)

    Phanikumar, Mantha S.; McGuire, Jennifer T.

    2010-08-01

    Push-pull tests are a popular technique to investigate various aquifer properties and microbial reaction kinetics in situ. Most previous studies have interpreted push-pull test data using approximate analytical solutions to estimate (generally first-order) reaction rate coefficients. Though useful, these analytical solutions may not be able to describe important complexities in rate data. This paper reports the development of a multi-species, radial coordinate numerical model (PPTEST) that includes the effects of sorption, reaction lag time and arbitrary reaction order kinetics to estimate rates in the presence of mixing interfaces such as those created between injected "push" water and native aquifer water. The model has the ability to describe an arbitrary number of species and user-defined reaction rate expressions including Monod/Michelis-Menten kinetics. The FORTRAN code uses a finite-difference numerical model based on the advection-dispersion-reaction equation and was developed to describe the radial flow and transport during a push-pull test. The accuracy of the numerical solutions was assessed by comparing numerical results with analytical solutions and field data available in the literature. The model described the observed breakthrough data for tracers (chloride and iodide-131) and reactive components (sulfate and strontium-85) well and was found to be useful for testing hypotheses related to the complex set of processes operating near mixing interfaces.

  9. A compartmentalized solute transport model for redox zones in contaminated aquifers--1, Theory and development

    USGS Publications Warehouse

    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 geochemical codes

  10. A compartmentalized solute transport model for redox zones in contaminated aquifers: 1: Theory and development

    NASA Astrophysics Data System (ADS)

    Abrams, Robert H.; Loague, Keith

    2000-08-01

    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 geochemical codes

  11. TLC scheme for numerical solution of the transport equation on equilateral triangular meshes

    SciTech Connect

    Walters, W.F.

    1983-01-01

    A new triangular linear characteristic TLC scheme for numerically solving the transport equation on equilateral triangular meshes has been developed. This scheme uses the analytic solution of the transport equation in the triangle as its basis. The data on edges of the triangle are assumed linear as is the source representation. A characteristic approach or nodal approach is used to obtain the analytic solution. Test problems indicate that the new TLC is superior to the widely used DITRI scheme for accuracy.

  12. Transport of Gas and Solutes in Permeable Estuarine Sediments

    DTIC Science & Technology

    2008-01-01

    subsurface methane accumulations that formed gas layers up to 2 cm thick at 3 to 10 cm sediment depth. This gas was collected in the chambers and the...reactive solutes in the surface layers of the bed. Gas producing organisms benefit from this filtration, i.e. methanogens from the filtration of organic

  13. A transportronic solution to the problem of interorbital transportation

    NASA Technical Reports Server (NTRS)

    Brown, William C.

    1992-01-01

    An all-electronic transportation system described by the term 'transportronics' is examined as a means of solving the current problem of the high cost of transporting material from low-Earth orbit (LEO) to geostationary orbit (GEO). In this transportation system, low cost electric energy at the surface of the Earth is efficiently converted into microwave power which is then efficiently formed into a narrow beam which is kept incident upon the orbital transfer vehicles (OTV's) by electronic tracking. The incident beam is efficiently captured and converted into DC power by a device which has a very high ratio of DC power output to its mass. Because the mass of the electric thruster is also low, the resulting acceleration is unprecedented for electric-propelled vehicles. However, the performance of the system in terms of transit times from LEO to GEO is penalized by the short time of contact between the beam and the vehicle in low-Earth orbits. This makes it necessary to place the Earth based transmitters and the vehicles in the equatorial plane thus introducing many geopolitical factors. Technically, however, such a system as described in the report may out-perform any other approach to transportation in the LEO to GEO regime. The report describes and analyzes all portions of the beamed microwave power transmission system in considerable detail. An economic analysis of the operating and capital costs is made with the aid of a reference system capable of placing about 130,000 kilograms of payload into GEO each year. More mature states of the system are then examined, to a level in which 60,000 metric tons per year could be placed into GEO.

  14. Effects of Temperature on Solute Transport Parameters in Differently-Textured Soils at Saturated Condition

    NASA Astrophysics Data System (ADS)

    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.

  15. A computational approach to calculate the heat of transport of aqueous solutions

    NASA Astrophysics Data System (ADS)

    di Lecce, Silvia; Albrecht, Tim; Bresme, Fernando

    2017-03-01

    Thermal gradients induce concentration gradients in alkali halide solutions, and the salt migrates towards hot or cold regions depending on the average temperature of the solution. This effect has been interpreted using the heat of transport, which provides a route to rationalize thermophoretic phenomena. Early theories provide estimates of the heat of transport at infinite dilution. These values are used to interpret thermodiffusion (Soret) and thermoelectric (Seebeck) effects. However, accessing heats of transport of individual ions at finite concentration remains an outstanding question both theoretically and experimentally. Here we discuss a computational approach to calculate heats of transport of aqueous solutions at finite concentrations, and apply our method to study lithium chloride solutions at concentrations >0.5 M. The heats of transport are significantly different for Li+ and Cl‑ ions, unlike what is expected at infinite dilution. We find theoretical evidence for the existence of minima in the Soret coefficient of LiCl, where the magnitude of the heat of transport is maximized. The Seebeck coefficient obtained from the ionic heats of transport varies significantly with temperature and concentration. We identify thermodynamic conditions leading to a maximization of the thermoelectric response of aqueous solutions.

  16. A computational approach to calculate the heat of transport of aqueous solutions

    PubMed Central

    Di Lecce, Silvia; Albrecht, Tim; Bresme, Fernando

    2017-01-01

    Thermal gradients induce concentration gradients in alkali halide solutions, and the salt migrates towards hot or cold regions depending on the average temperature of the solution. This effect has been interpreted using the heat of transport, which provides a route to rationalize thermophoretic phenomena. Early theories provide estimates of the heat of transport at infinite dilution. These values are used to interpret thermodiffusion (Soret) and thermoelectric (Seebeck) effects. However, accessing heats of transport of individual ions at finite concentration remains an outstanding question both theoretically and experimentally. Here we discuss a computational approach to calculate heats of transport of aqueous solutions at finite concentrations, and apply our method to study lithium chloride solutions at concentrations >0.5 M. The heats of transport are significantly different for Li+ and Cl− ions, unlike what is expected at infinite dilution. We find theoretical evidence for the existence of minima in the Soret coefficient of LiCl, where the magnitude of the heat of transport is maximized. The Seebeck coefficient obtained from the ionic heats of transport varies significantly with temperature and concentration. We identify thermodynamic conditions leading to a maximization of the thermoelectric response of aqueous solutions. PMID:28322266

  17. Combined physical and chemical nonequilibrium transport model: Analytical solution, moments, and application to colloids

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The transport of solutes and colloids in porous media is influenced by a variety of physical and chemical nonequilibrium processes. A combined physical–chemical nonequilibrium (PCNE) model was therefore used to describe general mass transport. The model partitions the pore space into “mobile” and “i...

  18. Light-trails: an optical solution for IP transport [Invited

    NASA Astrophysics Data System (ADS)

    Gumaste, Ashwin; Chlamtac, Imrich

    2004-05-01

    We present a solution for IP-centric communication at the optical layer through a combination of a hardware platform and algorithmic implementation. The presented approach, termed light-trails, is shown to yield a reconfigurable networking platform in which optical connections of arbitrary duration can be established and torn down flexibly in negligible time, accommodating the dynamic traffic requirements of the IP world. The hardware platform and protocol are evaluated with tractable mathematical models validated through detailed simulation.

  19. Predictions of dynamic changes in reaction rates as a consequence of incomplete mixing using pore scale reactive transport modeling on images of porous media.

    PubMed

    Alhashmi, Z; Blunt, M J; Bijeljic, B

    2015-08-01

    We present a pore scale model capable of simulating fluid/fluid reactive transport on images of porous media from first principles. We use a streamline-based particle tracking method for simulating flow and transport, while for reaction to occur, both reactants must be within a diffusive distance of each other during a time-step. We assign a probability of reaction (Pr), as a function of the reaction rate constant (kr) and the diffusion length. Firstly, we validate our model for reaction against analytical solutions for the bimolecular reaction (A+B→C) in a free fluid. Then, we simulate transport and reaction in a beadpack to validate the model through predicting the fluid/fluid reaction experimental results provided by Gramling et al. (2002). Our model accurately predicts the experimental data, as it takes into account the degree of incomplete mixing present at the sub-pore (image voxel) level, in contrast to advection-dispersion-reaction equation (ADRE) model that over-predicts pore scale mixing. Finally, we show how our model can predict dynamic changes in the reaction rate accurately accounting for the local geometry, topology and flow field at the pore scale. We demonstrate the substantial difference between the predicted early-time reaction rate in comparison to the ADRE model.

  20. Effect of surface modification on single-walled carbon nanotube retention and transport in saturated and unsaturated porous media.

    PubMed

    Tian, Yuan; Gao, Bin; Morales, Verónica L; Wang, Yu; Wu, Lei

    2012-11-15

    This work investigated the effect of different surface modification methods, including oxidization, surfactant coating, and humic acid coating, on single-walled carbon nanotube (SWNT) stability and their mobility in granular porous media under various conditions. Characterization and stability studies demonstrated that the three surface modification methods were all effective in solubilizing and stabilizing the SWNTs in aqueous solutions. Packed sand column experiments showed that although the three surface medication methods showed different effect on the retention and transport of SWNTs in the columns, all the modified SWNTs were highly mobile. Compared with the other two surface modification methods, the humic acid coating method introduced the highest mobility to the SWNTs. While reductions in moisture content in the porous media could promote the retention of the surface modified SWNTs in some sand columns, results from bubble column experiment suggested that only oxidized SWNTs were retention in unsaturated porous media through attachment on air-water interfaces. Other mechanisms such as grain surface attachment and thin-water film straining could also be responsible for the retention of the SWNTs in unsaturated porous media. An advection-dispersion model was successfully applied to simulate the experimental data of surface modified SWNT retention and transport in porous media.

  1. New approach to the solution of the Boltzmann radiation transport equation

    NASA Astrophysics Data System (ADS)

    Boffi, Vinicio C.; Dunn, William L.

    1987-03-01

    Transport monodimensional stationary solutions for the angular space-energy neutron flux, of interest in radiation penetration problems, are studied by Green's function method. Explicit analytical results for the spatial moments of the sought solution are obtained for the case of an isotropically scattering slab of infinite thickness and of a continuous slowing down model in energy.

  2. Reactive silica transport in fractured porous media: Analytical solutions for a system of parallel fractures

    NASA Astrophysics Data System (ADS)

    Yang, Jianwen

    2012-04-01

    A general analytical solution is derived by using the Laplace transformation to describe transient reactive silica transport in a conceptualized 2-D system involving a set of parallel fractures embedded in an impermeable host rock matrix, taking into account of hydrodynamic dispersion and advection of silica transport along the fractures, molecular diffusion from each fracture to the intervening rock matrix, and dissolution of quartz. A special analytical solution is also developed by ignoring the longitudinal hydrodynamic dispersion term but remaining other conditions the same. The general and special solutions are in the form of a double infinite integral and a single infinite integral, respectively, and can be evaluated using Gauss-Legendre quadrature technique. A simple criterion is developed to determine under what conditions the general analytical solution can be approximated by the special analytical solution. It is proved analytically that the general solution always lags behind the special solution, unless a dimensionless parameter is less than a critical value. Several illustrative calculations are undertaken to demonstrate the effect of fracture spacing, fracture aperture and fluid flow rate on silica transport. The analytical solutions developed here can serve as a benchmark to validate numerical models that simulate reactive mass transport in fractured porous media.

  3. Solute transport through a pine-bark based substrate under saturated and unsaturated conditions

    Technology Transfer Automated Retrieval System (TEKTRAN)

    An understanding of how dissolved mineral nutrient ions (solutes) move through pine bark substrates during the application of irrigation water is vital to better understand nutrient transport and leaching from containerized crops during an irrigation event. However, current theories on solute transp...

  4. Transport and deposition of CeO2 nanoparticles in water-saturated porous media.

    PubMed

    Li, Zhen; Sahle-Demessie, Endalkachew; Hassan, Ashraf Aly; Sorial, George A

    2011-10-01

    Ceria nanoparticles are used for fuel cell, metal polishing and automobile exhaust catalyst; however, little is known about the impact of their release to the environment. The stability, transport and deposition of engineered CeO2 nanoparticles through water-saturated column packed with sand were studied by monitoring effluent CeO2 concentration. The influence of solution chemistry such as ionic strength (1-10 mM) and pH (3-9) on the mobility and deposition of CeO2 nanoparticles was investigated by using a three-phase (deposition-rinse-reentrainment) procedure in packed bed columns. The results show that water chemistry governs the transport and deposition of CeO2 nanoparticles. Transport is significantly hindered at acidic conditions (pH 3) and high ionic strengths (10 mM and above), and the deposited CeO2 particles may not be re-entrained by increasing the pH or lowering the ionic strength of water. At neutral and alkaline conditions (pH6 and 9), and lower ionic strengths (below 10 mM), partial breakthrough of CeO2 nanoparticles was observed and particles can be partially detached and re-entrained from porous media by changing the solution chemistry. A mathematical model was developed based on advection-dispersion-adsorption equations and it successfully predicts the transport, deposition and re-entrainment of CeO2 nanoparticles through a packed bed. There is strong agreement between the deposition rate coefficients calculated from experimental data and predicted by the model. The successful prediction for attachment and detachment of nanoparticles during the deposition and re-entrainment phases is unique addition in this study. This work can be applied to access the risk of CeO2 nanoparticles transport in contaminated ground water.

  5. An Evaluation of Conditioning Data for Solute Transport Prediction

    SciTech Connect

    Scheibe, Timothy D.; Chien, Yi-Ju

    2003-03-01

    The large and diverse body of subsurface characterization data generated at a field research site near Oyster, Virginia provides a unique opportunity to test the impact of conditioning data of various types on predictions of flow and transport. Bromide breakthrough curves (BTCs) were measured during a forced-gradient local-scale injection experiment conducted in 1999. Observed BTCs are available at 140 sampling points in a three dimensional array within the transport domain. A detailed three-dimensional numerical model is used to simulate breakthrough curves at the same locations as the observed BTCs under varying assumptions regarding the character of hydraulic conductivity spatial distributions, and variable amounts and types of conditioning data. We present comparative results of six different cases ranging from simple (deterministic homogeneous models) to complex (stochastic indicator simulation conditioned to cross-borehole geophysical observations). Quantitative measures of model goodness-of-fit are presented. The results show that conditioning to a large number of small-scale measurements does not significantly improve model predictions, and may lead to biased or overly confident predictions. However, conditioning to geophysical interpretations with larger spatial support significantly improves the accuracy and precision of model predictions. In all cases, the effects of model error appear to be significant in relation to parameter uncertainty.

  6. A conceptual framework for ground-water solute-transport studies with emphasis on physical mechanisms of solute movement

    USGS Publications Warehouse

    Reilly, Thomas E.; Franke, O. Lehn; Buxton, Herbert T.; Bennett, Gordon D.

    1987-01-01

    Analysis of solute transport in groundwater systems involves a complex, multi-discipline study that requires intensive and costly investigation. Groundwater contamination, particularly from point sources, has been growing in importance in recent years. This report examines the physical mechanisms of solute transport, advection and dispersion, and explains how they relate to one another and the scale of study. The approach uses a preliminary analysis prior to collection of new data to focus on the technical problems to be addressed and to direct the initial collection of new data if warranted. The field investigation (collection of new data) progresses in stages that use the new knowledge and understanding gained from the preceding data collection to aid in further data collection as the study proceeds. A major premise of the approach is that the foundation of any analysis is a detailed quantitative definition of: (1) the groundwater flow field in three dimensions, and (2) the distribution of solutes in the contaminant plume in three dimensions at one point in time, or preferably at more than features of the groundwater flow field, and is an important tool for analysis. However, the scale of analysis for solute transport studies is usually much finer than the scale of analysis for groundwater flow alone. Therefore, an increase in detail of the velocity field is needed to provide for accurate calculations of pathlines in three-dimensional heterogeneous groundwater systems. (Lantz-PTT)

  7. Integrated compartmental model for describing the transport of solute in a fractured porous medium. [FRACPORT

    SciTech Connect

    DeAngelis, D.L.; Yeh, G.T.; Huff, D.D.

    1984-10-01

    This report documents a model, FRACPORT, that simulates the transport of a solute through a fractured porous matrix. The model should be useful in analyzing the possible transport of radionuclides from shallow-land burial sites in humid environments. The use of the model is restricted to transport through saturated zones. The report first discusses the general modeling approach used, which is based on the Integrated Compartmental Method. The basic equations of solute transport are then presented. The model, which assumes a known water velocity field, solves these equations on two different time scales; one related to rapid transport of solute along fractures and the other related to slower transport through the porous matrix. FRACPORT is validated by application to a simple example of fractured porous medium transport that has previously been analyzed by other methods. Then its utility is demonstrated in analyzing more complex cases of pulses of solute into a fractured matrix. The report serves as a user's guide to FRACPORT. A detailed description of data input, along with a listing of input for a sample problem, is provided. 16 references, 18 figures, 3 tables.

  8. Role of ABC and Solute Carrier Transporters in the Placental Transport of Lamivudine

    PubMed Central

    Ceckova, Martina; Reznicek, Josef; Ptackova, Zuzana; Cerveny, Lukas; Müller, Fabian; Kacerovsky, Marian; Fromm, Martin F.; Glazier, Jocelyn D.

    2016-01-01

    Lamivudine is one of the antiretroviral drugs of choice for the prevention of mother-to-child transmission (MTCT) in HIV-positive women. In this study, we investigated the relevance of drug efflux transporters P-glycoprotein (P-gp) (MDR1 [ABCB1]), BCRP (ABCG2), MRP2 (ABCC2), and MATE1 (SLC47A1) for the transmembrane transport and transplacental transfer of lamivudine. We employed in vitro accumulation and transport experiments on MDCK cells overexpressing drug efflux transporters, in situ-perfused rat term placenta, and vesicular uptake in microvillous plasma membrane (MVM) vesicles isolated from human term placenta. MATE1 significantly accelerated lamivudine transport in MATE1-expressing MDCK cells, whereas no transporter-driven efflux of lamivudine was observed in MDCK-MDR1, MDCK-MRP2, and MDCK-BCRP monolayers. MATE1-mediated efflux of lamivudine appeared to be a low-affinity process (apparent Km of 4.21 mM and Vmax of 5.18 nmol/mg protein/min in MDCK-MATE1 cells). Consistent with in vitro transport studies, the transplacental clearance of lamivudine was not affected by P-gp, BCRP, or MRP2. However, lamivudine transfer across dually perfused rat placenta and the uptake of lamivudine into human placental MVM vesicles revealed pH dependency, indicating possible involvement of MATE1 in the fetal-to-maternal efflux of the drug. To conclude, placental transport of lamivudine does not seem to be affected by P-gp, MRP2, or BCRP, but a pH-dependent mechanism mediates transport of lamivudine in the fetal-to-maternal direction. We suggest that MATE1 might be, at least partly, responsible for this transport. PMID:27401571

  9. Molecular transport through surfactant-covered oil-water interfaces: role of physical properties of solutes and surfactants in creating energy barriers for transport.

    PubMed

    Ahn, Yong Nam; Gupta, Ashish; Chauhan, Anuj; Kopelevich, Dmitry I

    2011-03-15

    Mechanisms of molecular transport across oil-water interfaces covered by nonionic surfactants are investigated using coarse-grained molecular dynamics simulations. Resistance of the surfactant monolayer to the solute transport is shown to be controlled by dense regions in the monolayer. The dense regions are formed on both sides of the dividing surface and the barrier to the solute transport is created by those of them experiencing unfavorable interactions with the solute. Resistance to the transport of a hydrophobic (hydrophilic) solute increases with the excess density of the head (tail) group region of the monolayer, which in turn increases with the length of the surfactant head (tail) group. Barriers for solute transport through surfactant monolayers are also influenced by the solute size. However, the extent of this influence is determined by the monolayer thickness and the solute structure and composition. For example, it is shown that resistance offered by thin monolayers to transport of linear oligomers is relatively insensitive to the solute length. The barrier sensitivity to the length of these solutes increases with the monolayer thickness. In addition to the static barriers, the solute transport is shown to be affected by dynamic barriers due to a nonadiabatic coupling of the monolayer surface with the solute position and configuration. This coupling leads to deviations of the system dynamics from the minimum energy path. The deviations are most significant in the neighborhood of the static energy barrier, which effectively leads to an increase of the barrier for the solute transport.

  10. Classical heat transport in anharmonic molecular junctions: exact solutions.

    PubMed

    Liu, Sha; Agarwalla, Bijay Kumar; Wang, Jian-Sheng; Li, Baowen

    2013-02-01

    We study full counting statistics for classical heat transport through anharmonic or nonlinear molecular junctions formed by interacting oscillators. An analytical result of the steady-state heat flux for an overdamped anharmonic junction with arbitrary temperature bias is obtained. It is found that the thermal conductance can be expressed in terms of a temperature-dependent effective force constant. The role of anharmonicity is identified. We also give the general formula for the second cumulant of heat in steady state, as well as the average geometric heat flux when two system parameters are modulated adiabatically. We present an anharmonic example for which all cumulants for heat can be obtained exactly. For a bounded single oscillator model with mass we found that the cumulants are independent of the nonlinear potential.

  11. Determination of bacterial and viral transport parameters in a gravel aquifer assuming linear kinetic sorption and desorption

    NASA Astrophysics Data System (ADS)

    Mallén, G.; Maloszewski, P.; Flynn, R.; Rossi, P.; Engel, M.; Seiler, K.-P.

    2005-05-01

    The bacteria Escherichia coli and Pseudomonas putida, and the bacteriophage virus H40/1 are examined both for their transport behaviour relative to inert solute tracers and for their modelability under natural flow conditions in a gravel aquifer. The microbes are attenuated in the following sequence: H40/1≥ P. putida≫ E. coli. The latter is desorbed almost completely within a few days. Breakthrough and recovery curves of the simultaneously injected non-reactive tracers are simulated with the 2D and 1D dispersion equation, in order to ascertain longitudinal dispersivity ( αL) and mean flow time ( T0). Mathematical modelling is difficult due to the aquifer heterogeneity, which results in preferential flow paths between injection and observation wells. Therefore, any attempt of fitting the dispersion model (DM) to the entire inert-tracer breakthrough curve (BTC) fails. Adequate fitting of the model to measured data only succeeds using a DM consisting of a superposition of several BTCs, each representing another set of flow paths. This gives rise to a multimodal, rather than a Gaussian groundwater velocity distribution. Only hydraulic parameters derived from the fastest partial curve, which is fitted to the rising part of the Uranine BTC, are suitable to model microbial breakthroughs. The hydraulic parameters found using 2D and 1D models were nearly identical. Their values were put into an analytical solution of 1D advective-dispersive transport combined with two-site reaction model introduced by Cameron and Klute [Cameron, D.R., Klute, A., 1977. Convective-dispersive solute transport with a combined equilibrium and kinetic adsorption model. Water Resour. Res. 13, 183-189], in order to identify reactive transport parameters (sorption/desorption) and attenuation mechanisms for the microbes migration. This shows that the microbes are almost entirely transported through preferential flow paths, which are represented by the first partial curve. Inert tracers, however

  12. Urinary solute transport by ileal segments. I. Effects of nicotinic acid.

    PubMed

    Martínez-Piñeiro, L; Mateos, F; Montero, A; Madero, R; Martínez-Piñeiro, J A

    1993-12-01

    This study was conducted to quantify urinary solute transport by the ileum, using an in vivo human model, and to determine the effect of nicotinic acid on this process. Patients were studied under both basal conditions and niacin therapy. The rates of solute transport were established by analysis of excretion indexes for each solute. Potassium and ammonium were absorbed by the ileum, while phosphorus, sodium and bicarbonate were secreted. The percentage excretion index of sodium and bicarbonate increased by approximately 100 and 600% respectively, causing a significant rise in urinary pH. Although not statistically significant, there was a tendency for chloride to be absorbed and for water to pass into the bowel lumen. Nicotinic acid 3 g/day had no significant effect on urinary solute transport.

  13. Addition of simultaneous heat and solute transport and variable fluid viscosity to SEAWAT

    USGS Publications Warehouse

    Thorne, D.; Langevin, C.D.; Sukop, M.C.

    2006-01-01

    SEAWAT is a finite-difference computer code designed to simulate coupled variable-density ground water flow and solute transport. This paper describes a new version of SEAWAT that adds the ability to simultaneously model energy and solute transport. This is necessary for simulating the transport of heat and salinity in coastal aquifers for example. This work extends the equation of state for fluid density to vary as a function of temperature and/or solute concentration. The program has also been modified to represent the effects of variable fluid viscosity as a function of temperature and/or concentration. The viscosity mechanism is verified against an analytical solution, and a test of temperature-dependent viscosity is provided. Finally, the classic Henry-Hilleke problem is solved with the new code. ?? 2006 Elsevier Ltd. All rights reserved.

  14. Information entropy to measure the spatial and temporal complexity of solute transport in heterogeneous porous media

    NASA Astrophysics Data System (ADS)

    Li, Weiyao; Huang, Guanhua; Xiong, Yunwu

    2016-04-01

    The complexity of the spatial structure of porous media, randomness of groundwater recharge and discharge (rainfall, runoff, etc.) has led to groundwater movement complexity, physical and chemical interaction between groundwater and porous media cause solute transport in the medium more complicated. An appropriate method to describe the complexity of features is essential when study on solute transport and conversion in porous media. Information entropy could measure uncertainty and disorder, therefore we attempted to investigate complexity, explore the contact between the information entropy and complexity of solute transport in heterogeneous porous media using information entropy theory. Based on Markov theory, two-dimensional stochastic field of hydraulic conductivity (K) was generated by transition probability. Flow and solute transport model were established under four conditions (instantaneous point source, continuous point source, instantaneous line source and continuous line source). The spatial and temporal complexity of solute transport process was characterized and evaluated using spatial moment and information entropy. Results indicated that the entropy increased as the increase of complexity of solute transport process. For the point source, the one-dimensional entropy of solute concentration increased at first and then decreased along X and Y directions. As time increased, entropy peak value basically unchanged, peak position migrated along the flow direction (X direction) and approximately coincided with the centroid position. With the increase of time, spatial variability and complexity of solute concentration increase, which result in the increases of the second-order spatial moment and the two-dimensional entropy. Information entropy of line source was higher than point source. Solute entropy obtained from continuous input was higher than instantaneous input. Due to the increase of average length of lithoface, media continuity increased, flow and

  15. Effects of pH and ionic strength on sulfamethoxazole and ciprofloxacin transport in saturated porous media

    NASA Astrophysics Data System (ADS)

    Chen, Hao; Gao, Bin; Li, Hui; Ma, Lena Q.

    2011-09-01

    Many antibiotics regarded as emerging contaminants have been frequently detected in soils and groundwater; however, their transport behaviors in soils remain largely unknown. This study examined the transport of two antibiotics, sulfamethoxazole (SMZ) and ciprofloxacin (CIP), in saturated porous media. Laboratory columns packed with quartz sand was used to test the effects of solution pH and ionic strength (IS) on their retention and transport. The results showed that these two antibiotics behaved differently in the saturated sand columns. In general, SMZ manifested a much higher mobility than CIP for all experimental conditions tested. Almost all SMZ transported through the columns within one pore volume in deionized water (i.e., pH = 5.6, IS = 0), but no CIP was detected in the effluents under the same condition after extended column flushing. Perturbations in solution pH (5.6 and 9.5) and IS (0 and 0.1 M) showed no effect on SMZ transport in the saturated columns. When pH increased to 9.5, however, ~ 93% of CIP was eluted from the sand columns. Increase of IS from 0 to 0.1 M also slightly changed the distribution of adsorbed CIP within the sand column at pH 5.6, but still no CIP was detected in the effluents. A mathematical model based on advection-dispersion equation coupled with equilibrium and kinetic reactions successfully simulated the transport of the antibiotics in water-saturated porous media with R2 = 0.99.

  16. An implicit dispersive transport algorithm for the US Geological Survey MOC3D solute-transport model

    USGS Publications Warehouse

    Kipp, K.L.; Konikow, L.F.; Hornberger, G.Z.

    1998-01-01

    This report documents an extension to the U.S. Geological Survey MOC3D transport model that incorporates an implicit-in-time difference approximation for the dispersive transport equation, including source/sink terms. The original MOC3D transport model (Version 1) uses the method of characteristics to solve the transport equation on the basis of the velocity field. The original MOC3D solution algorithm incorporates particle tracking to represent advective processes and an explicit finite-difference formulation to calculate dispersive fluxes. The new implicit procedure eliminates several stability criteria required for the previous explicit formulation. This allows much larger transport time increments to be used in dispersion-dominated problems. The decoupling of advective and dispersive transport in MOC3D, however, is unchanged. With the implicit extension, the MOC3D model is upgraded to Version 2. A description of the numerical method of the implicit dispersion calculation, the data-input requirements and output options, and the results of simulator testing and evaluation are presented. Version 2 of MOC3D was evaluated for the same set of problems used for verification of Version 1. These test results indicate that the implicit calculation of Version 2 matches the accuracy of Version 1, yet is more efficient than the explicit calculation for transport problems that are characterized by a grid Peclet number less than about 1.0.

  17. Antitubercular Agent Delamanid and Metabolites as Substrates and Inhibitors of ABC and Solute Carrier Transporters

    PubMed Central

    Shimokawa, Yoshihiko; Shibata, Masakazu; Hashizume, Kenta; Hamasako, Yusuke; Ohzone, Yoshihiro; Kashiyama, Eiji; Umehara, Ken

    2016-01-01

    Delamanid (Deltyba, OPC-67683) is the first approved drug in a novel class of nitro-dihydro-imidazooxazoles developed for the treatment of multidrug-resistant tuberculosis. Patients with tuberculosis require treatment with multiple drugs, several of which have known drug-drug interactions. Transporters regulate drug absorption, distribution, and excretion; therefore, the inhibition of transport by one agent may alter the pharmacokinetics of another, leading to unexpected adverse events. Therefore, it is important to understand how delamanid affects transport activity. In the present study, the potencies of delamanid and its main metabolites as the substrates and inhibitors of various transporters were evaluated in vitro. Delamanid was not transported by the efflux ATP-binding cassette (ABC) transporters P-glycoprotein (P-gp; MDR1/ABCB1) and breast cancer resistance protein (BCRP/ABCG2), solute carrier (SLC) transporters, organic anion-transporting polypeptides, or organic cation transporter 1. Similarly, metabolite 1 (M1) was not a substrate for any of these transporters except P-gp. Delamanid showed no inhibitory effect on ABC transporters MDR1, BCRP, and bile salt export pump (BSEP; ABCB11), SLC transporters, or organic anion transporters. M1 and M2 inhibited P-gp- and BCRP-mediated transport but did so only at the 50% inhibitory concentrations (M1, 4.65 and 5.71 μmol/liter, respectively; M2, 7.80 and 6.02 μmol/liter, respectively), well above the corresponding maximum concentration in plasma values observed following the administration of multiple doses in clinical trials. M3 and M4 did not affect the activities of any of the transporters tested. These in vitro data suggest that delamanid is unlikely to have clinically relevant interactions with drugs for which absorption and disposition are mediated by this group of transporters. PMID:27021329

  18. Rashba quantum wire: exact solution and ballistic transport.

    PubMed

    Perroni, C A; Bercioux, D; Ramaglia, V Marigliano; Cataudella, V

    2007-05-08

    The effect of Rashba spin-orbit interaction in quantum wires with hard-wall boundaries is discussed. The exact wavefunction and eigenvalue equation are worked out, pointing out the mixing between the spin and spatial parts. The spectral properties are also studied within perturbation theory with respect to the strength of the spin-orbit interaction and diagonalization procedure. A comparison is made with the results of a simple model, the two-band model, that takes account only of the first two sub-bands of the wire. Finally, the transport properties within the ballistic regime are analytically calculated for the two-band model and through a tight-binding Green function for the entire system. Single and double interfaces separating regions with different strengths of spin-orbit interaction are analysed by injecting carriers into the first and the second sub-band. It is shown that in the case of a single interface the spin polarization in the Rashba region is different from zero, and in the case of two interfaces the spin polarization shows oscillations due to spin-selective bound states.

  19. Flow dynamics and solute transport in unsaturated rock fractures

    SciTech Connect

    Su, Grace Woan-chee

    1999-10-01

    Rock fractures play an important role in flow and contaminant transport in fractured aquifers, production of oil from petroleum reservoirs, and steam generation from geothermal reservoirs. In this dissertation, phenomenological aspects of flow in unsaturated fractures were studied in visualization experiments conducted on a transparent replica of a natural, rough-walled rock fracture for inlet conditions of constant pressure and flow rate over a range of angles of inclination. The experiments demonstrated that infiltrating liquid proceeds through unsaturated rock fractures along non-uniform, localized preferential flow paths. Even in the presence of constant boundary conditions, intermittent flow was a persistent flow feature observed, where portions of the flow channel underwent cycles of snapping and reforming. Two modes of intermittent flow were observed, the pulsating blob mode and the rivulet snapping mode. A conceptual model for the rivulet snapping mode was proposed and examined using idealized, variable-aperture fractures. The frequency of intermittent flow events was measured in several experiments and related to the capillary and Bond numbers to characterize this flow behavior.

  20. Stochastic models of solute transport in highly heterogeneous geologic media

    SciTech Connect

    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.

  1. The Impact of Early Time Behavior of Solute Transport at High Peclet Number on Upscaled Markovian Transport Models

    NASA Astrophysics Data System (ADS)

    Sund, N. L.; Bolster, D.; Benson, D. A.

    2015-12-01

    In order to predict transport of solutes, upscaling techniques are often applied. After the amount of time it takes the solute to sample all of the velocities in the system, the upscaling process is well understood and fairly simple to implement. But in highly heterogeneous velocity fields, this amount of time may be prohibitively long. When there is a need to predict transport at earlier times, the upscaling process is more difficult because the solute tends to stay on or near its initial streamline, inducing a correlation between its average velocity over fixed distances (or times), which must be accounted for. A Spatial Markov model was developed in 2008 that does just that[1]. It accounts for the velocity correlation by treating the transport process as a Markov Chain. This model has been successfully applied to predict solute transport in a large variety of complicated flow fields and is becoming increasing popular. It almost seems as though it works for every situation, but so far no rigorous study has gone into determining its limitations. So we have decided to take a step back and ask: when is this model valid? We understand the asymptotic behavior in the limit as t→ ∞, but what about in the limit as 1/t→ ∞ (or t→ 0)? Are the assumptions of the Spatial Markov model valid over all length (and time) scales? It turns out that the answer is no. At very early times, the transport process is diffusion dominated, leading to non-monotonic correlation between solute particles' average velocity over consecutive space and time steps. The assumptions of the Spatial Markov model only hold after this early diffusive regime ends and the correlation function peaks. We find the location of the peak in the correlation function for transport in simple stratified flows and show the effect of using the Spatial Markov model over length scales on either side of the peak.REFERENCES[1] T.L. Borgne, M. Dentz, J. Carrera: Spatial Markov processes for modeling Lagrangian

  2. A finite-volume ELLAM for three-dimensional solute-transport modeling

    USGS Publications Warehouse

    Russell, T.F.; Heberton, C.I.; Konikow, L.F.; Hornberger, G.Z.

    2003-01-01

    A three-dimensional finite-volume ELLAM method has been developed, tested, and successfully implemented as part of the U.S. Geological Survey (USGS) MODFLOW-2000 ground water modeling package. It is included as a solver option for the Ground Water Transport process. The FVELLAM uses space-time finite volumes oriented along the streamlines of the flow field to solve an integral form of the solute-transport equation, thus combining local and global mass conservation with the advantages of Eulerian-Lagrangian characteristic methods. The USGS FVELLAM code simulates solute transport in flowing ground water for a single dissolved solute constituent and represents the processes of advective transport, hydrodynamic dispersion, mixing from fluid sources, retardation, and decay. Implicit time discretization of the dispersive and source/sink terms is combined with a Lagrangian treatment of advection, in which forward tracking moves mass to the new time level, distributing mass among destination cells using approximate indicator functions. This allows the use of large transport time increments (large Courant numbers) with accurate results, even for advection-dominated systems (large Peclet numbers). Four test cases, including comparisons with analytical solutions and benchmarking against other numerical codes, are presented that indicate that the FVELLAM can usually yield excellent results, even if relatively few transport time steps are used, although the quality of the results is problem-dependent.

  3. Elements of fractal generalization of dual-porosity model for solute transport in unsaturated fractured rocks

    SciTech Connect

    Bolshov, L.; Kondratenko, P.; Matveev, L.; Pruess, K.

    2008-09-01

    In this study, new elements were developed to generalize the dual-porosity model for moisture infiltration on and solute transport in unsaturated rocks, taking into account fractal aspects of the percolation process. Random advection was considered as a basic mechanism of solute transport in self-similar fracture systems. In addition to spatial variations in the infiltration velocity field, temporal fluctuations were also taken into account. The rock matrix, a low-permeability component of the heterogeneous geologic medium, acts as a trap for solute particles and moisture. Scaling relations were derived for the moisture infiltration flux, the velocity correlation length, the average velocity of infiltration, and the velocity correlation function. The effect of temporal variations in precipitation intensity on the infiltration processes was analyzed. It showed that the mode of solute transport is determined by the power exponent in the advection velocity correlation function and the dimensionality of the trapping system, both of which may change with time. Therefore, depending on time, various transport regimes may be realized: superdiffusion, subdiffusion, or classical diffusion. The complex structure of breakthrough curves from changes in the transport regimes was also examined. A renormalization of the solute source strength due to characteristic fluctuations of highly disordered media was established.

  4. Kinetically influenced terms for solute transport affected by heterogeneous and homogeneous classical reactions

    USGS Publications Warehouse

    Bahr, J.M.

    1990-01-01

    This paper extends a four-step derivation procedure, previously presented for cases of transport affected by surface reactions, to transport problems involving homogeneous reactions. Derivations for these classes of reactions are used to illustrate the manner in which mathematical differences between reaction classes are reflected in the mathematical derivation procedures required to identify kinetically influenced terms. Simulation results for a case of transport affected by a single solution phase complexation reaction and for a case of transport affected by a precipitation-dissolution reaction are used to demonstrate the nature of departures from equilibrium-controlled transport as well as the use of kinetically influenced terms in determining criteria for the applicability of the local equilibrium assumption. A final derivation for a multireaction problem demonstrates the application of the generalized procedure to a case of transport affected by reactions of several classes. -from Author

  5. Global stability and exact solution of an arbitrary-solute nonlinear cellular mass transport system.

    PubMed

    Benson, James D

    2014-12-01

    The prediction of the cellular state as a function of extracellular concentrations and temperatures has been of interest to physiologists for nearly a century. One of the most widely used models in the field is one where mass flux is linearly proportional to the concentration difference across the membrane. These fluxes define a nonlinear differential equation system for the intracellular state, which when coupled with appropriate initial conditions, define the intracellular state as a function of the extracellular concentrations of both permeating and nonpermeating solutes. Here we take advantage of a reparametrization scheme to extend existing stability results to a more general setting and to a develop analytical solutions to this model for an arbitrary number of extracellular solutes.

  6. Modeling of U-series Radionuclide Transport Through Soil at Pena Blanca, Chihuahua, Mexico

    NASA Astrophysics Data System (ADS)

    Pekar, K. E.; Goodell, P. C.; Walton, J. C.; Anthony, E. Y.; Ren, M.

    2007-05-01

    . Independent multi-element analyses of three samples by ICP-MS show decreasing uranium concentration with depth as well. The transport of the radionuclides is evaluated using STANMOD, a Windows-based software package for evaluating solute transport in porous media using analytical solutions of the advection-dispersion solute transport equation. The package allows various one-dimensional, advection-dispersion parameters to be determined by fitting mathematical solutions of theoretical transport models to observed data. The results are promising for future work on the release rate of radionuclides from the boulder, the dominant mode of transport (e.g., particulate or dissolution), and the movement of radionuclides through porous media. The measured subsurface transport rates provide modelers with a model validation dataset.

  7. Pore connectivity effects on solute transport in rocks

    SciTech Connect

    Hu, Qinhong; Ewing, Robert P.

    2001-11-30

    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{sup 0.26}, while tuff and Berea sandstone showed the more classical scaling with time{sup 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

  8. Pore Connectivity Effects on Solute Transport in Rocks

    SciTech Connect

    Oinhong Hu

    2001-12-05

    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{sup 0.26}, while tuff and Berea sandstone showed the more classical scaling with time{sup 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

  9. Analytical solutions of a fractional diffusion-advection equation for solar cosmic-ray transport

    SciTech Connect

    Litvinenko, Yuri E.; Effenberger, Frederic

    2014-12-01

    Motivated by recent applications of superdiffusive transport models to shock-accelerated particle distributions in the heliosphere, we analytically solve a one-dimensional fractional diffusion-advection equation for the particle density. We derive an exact Fourier transform solution, simplify it in a weak diffusion approximation, and compare the new solution with previously available analytical results and with a semi-numerical solution based on a Fourier series expansion. We apply the results to the problem of describing the transport of energetic particles, accelerated at a traveling heliospheric shock. Our analysis shows that significant errors may result from assuming an infinite initial distance between the shock and the observer. We argue that the shock travel time should be a parameter of a realistic superdiffusive transport model.

  10. Using a derivative-free optimization method for multiple solutions of inverse transport problems

    SciTech Connect

    Armstrong, Jerawan C.; Favorite, Jeffrey A.

    2016-01-14

    Identifying unknown components of an object that emits radiation is an important problem for national and global security. Radiation signatures measured from an object of interest can be used to infer object parameter values that are not known. This problem is called an inverse transport problem. An inverse transport problem may have multiple solutions and the most widely used approach for its solution is an iterative optimization method. This paper proposes a stochastic derivative-free global optimization algorithm to find multiple solutions of inverse transport problems. The algorithm is an extension of a multilevel single linkage (MLSL) method where a mesh adaptive direct search (MADS) algorithm is incorporated into the local phase. Furthermore, numerical test cases using uncollided fluxes of discrete gamma-ray lines are presented to show the performance of this new algorithm.

  11. Geochemical & Physical Aquifer Property Heterogeneity: A Multiscale Sedimentologic Approach to Reactive Solute Transport

    SciTech Connect

    Murray, Chris; Allen-King, Richelle; Weissmann, Gary

    2006-06-01

    This project is testing the hypothesis that sedimentary lithofacies determine the geochemical and physical hydrologic properties that control reactive solute transport (Figure 1). We are testing that hypothesis for one site, a portion of the saturated zone at the Hanford Site (Ringold Formation), and for a model solute, carbon tetrachloride (CT). The representative geochemical and physical aquifer properties selected for quantification in the proposed project are the properties that control CT transport: hydraulic conductivity (K) and reactivity (sorption distribution coefficient, Kd, and anaerobic transformation rate constant, kn). We are combining observations at outcrop analog sites (to measure lithofacies dimensions and statistical relations) with measurements from archived and fresh core samples (for geochemical experiments and to provide additional constraint to the stratigraphic model) from the Ringold Formation to place local-scale lithofacies successions, and their distinct hydrologic property distributions, into the basinal context, thus allowing us to estimate the spatial distributions of properties that control reactive solute transport in the subsurface.

  12. Using a derivative-free optimization method for multiple solutions of inverse transport problems

    DOE PAGES

    Armstrong, Jerawan C.; Favorite, Jeffrey A.

    2016-01-14

    Identifying unknown components of an object that emits radiation is an important problem for national and global security. Radiation signatures measured from an object of interest can be used to infer object parameter values that are not known. This problem is called an inverse transport problem. An inverse transport problem may have multiple solutions and the most widely used approach for its solution is an iterative optimization method. This paper proposes a stochastic derivative-free global optimization algorithm to find multiple solutions of inverse transport problems. The algorithm is an extension of a multilevel single linkage (MLSL) method where a meshmore » adaptive direct search (MADS) algorithm is incorporated into the local phase. Furthermore, numerical test cases using uncollided fluxes of discrete gamma-ray lines are presented to show the performance of this new algorithm.« less

  13. Influence of reservoirs on solute transport: A regional-scale approach

    USGS Publications Warehouse

    Kelly, V.J.

    2001-01-01

    Regional transport of water and dissolved constituents through heavily regulated river systems is influenced by the presence of reservoirs. Analysis of seasonal patterns in solute fluxes for salinity and nutrients indicates that in-reservoir processes within large storage reservoirs in the Rio Grande and Colorado basins (southwestern USA) are superimposed over the underlying watershed processes that predominate in relatively unregulated stream reaches. Connectivity of the aquatic system with the landscape is apparently disrupted by processes within the reservoir systems; these processes result in large changes in characteristics for solute transport that persist downstream in the absence of significant inputs. Additionally, reservoir processes may be linked for upstream/downstream reservoirs that are located relatively close in a series. In contrast, the regional effect of in-reservoir processes is negligible for solute transport through run-of-river reservoirs in the lower Columbia River (northwestern USA).

  14. Analytical Solutions of a Fractional Diffusion-advection Equation for Solar Cosmic-Ray Transport

    NASA Astrophysics Data System (ADS)

    Litvinenko, Yuri E.; Effenberger, Frederic

    2014-12-01

    Motivated by recent applications of superdiffusive transport models to shock-accelerated particle distributions in the heliosphere, we analytically solve a one-dimensional fractional diffusion-advection equation for the particle density. We derive an exact Fourier transform solution, simplify it in a weak diffusion approximation, and compare the new solution with previously available analytical results and with a semi-numerical solution based on a Fourier series expansion. We apply the results to the problem of describing the transport of energetic particles, accelerated at a traveling heliospheric shock. Our analysis shows that significant errors may result from assuming an infinite initial distance between the shock and the observer. We argue that the shock travel time should be a parameter of a realistic superdiffusive transport model.

  15. Stochastic modeling analysis of sequential first-order degradation reactions and non-Fickian transport in steady state plumes

    NASA Astrophysics Data System (ADS)

    Burnell, Daniel K.; Mercer, James W.; Faust, Charles R.

    2014-02-01

    Stochastic analyses were performed to examine sequential first-order monomolecular reactions at the microscopic scale and both Fickian and non-Fickian plume reactive transport at the macroscopic scale. An analytical solution was derived for the chemical master equation (CME) for a closed system of irreversible first-order monomolecular reactions. Taking a Lagrangian reference frame of particles migrating from a source, analyses show that the relative concentration of each species in the deterministic analytical solution for 1-D steady state plug flow with first-order sequential degradation is mathematically equivalent to the mean of a multinomial distribution of plume particles moving at constant velocity with sequential transformations described by transition probabilities of a discrete state, continuous-time Markov chain. In order to examine the coupling of reaction and transport terms in subdiffusive-reactive transport equations, a closed-form multispecies analytical solution also was derived for steady state advection, dispersion, and sequential first-order reaction. Using a 1-D continuous-time random walk (CTRW) embedded in Markov chains, computationally efficient Monte Carlo simulations of particle movement were performed to more fully examine effects of subdiffusive-reactive transport with an application to steady state, sequentially degrading multispecies plumes at a site in Palm, Bay, FL. The simulation results indicated that non-Fickian steady state plumes can resemble Fickian plumes because linear reactions truncate the waiting time between particle jumps, which removes lower velocity particles from the broad spectrum of velocities in highly heterogeneous media. Results show that fitting of Fickian models to plume concentration data can lead to inaccurate estimates of rate constants because of the wide distribution of travel times in highly heterogeneous media.

  16. Explicit solutions of the radiative transport equation in the P{sub 3} approximation

    SciTech Connect

    Liemert, André Kienle, Alwin

    2014-11-01

    Purpose: Explicit solutions of the monoenergetic radiative transport equation in the P{sub 3} approximation have been derived which can be evaluated with nearly the same computational effort as needed for solving the standard diffusion equation (DE). In detail, the authors considered the important case of a semi-infinite medium which is illuminated by a collimated beam of light. Methods: A combination of the classic spherical harmonics method and the recently developed method of rotated reference frames is used for solving the P{sub 3} equations in closed form. Results: The derived solutions are illustrated and compared to exact solutions of the radiative transport equation obtained via the Monte Carlo (MC) method as well as with other approximated analytical solutions. It is shown that for the considered cases which are relevant for biomedical optics applications, the P{sub 3} approximation is close to the exact solution of the radiative transport equation. Conclusions: The authors derived exact analytical solutions of the P{sub 3} equations under consideration of boundary conditions for defining a semi-infinite medium. The good agreement to Monte Carlo simulations in the investigated domains, for example, in the steady-state and time domains, as well as the short evaluation time needed suggests that the derived equations can replace the often applied solutions of the diffusion equation for the homogeneous semi-infinite medium.

  17. Simulation of unsaturated flow and nonreactive solute transport in a heterogeneous soil at the field scale

    SciTech Connect

    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.

  18. Solute Breakthrough During Recurrent Ponded Infiltration Into Heterogeneous Soil

    NASA Astrophysics Data System (ADS)

    Sobotkova, M.; Snehota, M.; Cislerova, M.

    2009-12-01

    Water flow during recurrent ponded infiltration may be influenced by presence of entrapped air in heterogeneous soils. It is assumed that variations of the entrapped air volume cause changes of the water content and flow patterns, with consequences for the solute transport. The aim of this contribution is to investigate the effect of entrapped air on dispersion by means of experiments in laboratory. Two undisturbed samples of sandy loam soils were collected at the experimental sites in the Šumava Mountains and the Jizera Mountains (Czech Republic). Recurrent ponded infiltration, conducted on each soil sample consisted of two or more infiltration runs. The same level of ponding was maintained during each infiltration run at the top of the sample. Water drained freely through the perforated plate at the bottom of the sample. First infiltration run was done into naturally dry soil while subsequent runs were conducted into wetter soil. Suction pressure heads in three heights were continuously measured by tensiometers. Water contents were monitored by TDR probes also in three heights. Outflow fluxes were recorded continuously during the experiments as well as the weight of the sample. During each infiltration run the concentration pulse of potassium bromide solution was applied at the top of the soil core during steady state flow and breakthrough curve was acquired by electrochemical in-line analysis of bromide ions in the effluent. Soil hydraulic properties were obtained by fitting the measured flux, water content and pressure data by the dual permeability model. The dispersion coefficients were determined by fitting a one-dimensional advection-dispersion equation to each breakthrough curve. Differences in the shape of the breakthrough curves obtained for individual infiltration runs will be discussed on the poster. This research has been supported by GACR 103/08/1552.

  19. Solute breakthrough during recurrent ponded infiltration into heterogeneous soil

    NASA Astrophysics Data System (ADS)

    Sobotkova, Martina; Snehota, Michal; Dohnal, Michal; Cislerova, Milena

    2010-05-01

    Water flow during recurrent ponded infiltration may be influenced by presence of entrapped air in heterogeneous soils. It is assumed that variations of the entrapped air volume cause changes of the water content and flow patterns, with consequences for the solute transport. The aim of this contribution is to investigate the effect of entrapped air on dispersion by means of experiments in laboratory. Two undisturbed samples of sandy loam soils were collected at the experimental sites in the Šumava Mountains and the Jizera Mountains (Czech Republic). Packed sample of fine quartz sand was used as a reference. Recurrent ponded infiltration, conducted on each soil sample consisted of two or more infiltration runs. The same level of ponding was maintained during each infiltration run at the top of the sample. Water drained freely through the perforated plate at the bottom of the sample. First infiltration run was done into naturally dry soil while subsequent runs were conducted into wetter soil. Suction pressure heads in three heights were continuously measured by tensiometers. Water contents were monitored by TDR probes also in three heights. Outflow fluxes were recorded continuously during the experiments as well as the weight of the sample. During each infiltration run the concentration pulse of potassium bromide solution was applied at the top of the soil core during steady state flow and breakthrough curve was acquired by electrochemical in-line analysis of bromide ions in the effluent. Soil hydraulic properties were obtained by fitting the measured flux, water content and pressure data by the dual permeability model. The dispersion coefficients were determined by fitting a one-dimensional advection-dispersion equation to each breakthrough curve. Differences in the shape of the breakthrough curves obtained for individual infiltration runs will be discussed on the poster. This research has been supported by GACR 103/08/1552.

  20. Imaging and quantification of preferential solute transport in an undisturbed soil

    NASA Astrophysics Data System (ADS)

    Koestel, John; Larsbo, Mats

    2014-05-01

    Despite significant advances during the last decades there are still many processes related to non-equilibrium flow and transport in macroporous soil that are far from being completely understood. The use of 3-D X-ray for imaging time-lapse 3-D solute transport has a large potential to help advance the knowledge in this field. We visualized the transport of a potassium iodide tracer (20 mg iodine ml-1 H2O) front through a small undisturbed soil column (height 3.8 cm, diameter 6.8 cm) under steady-state hydraulic conditions using an industrial X-ray scanner. Following an elaborate and time-costly illumination correction approach we yielded a series of seventeen 3-D difference images of density-changes with respect to the start of the tracer application. The spatial resolution was approximately 0.196 mm in all directions. The noise level varied between 3% and 8% of the maximally expected density changes. We related the time-lapse images to iodine concentrations using a linear calibration relationship. The electrical conductivity, assumed proportional to the iodide concentration, was measured in the effluent solution during the experiment. Eighty-five percent of the applied iodine mass was recovered in the effluent and inside the column. The solute transport through the soil predominantly took place within two cylindrical macropores, by-passing more than 90% of the bulk soil volume during the entire experiment. From these macropores the solute diffused into the surrounding soil matrix. We illustrated the properties of the investigated solute transport by comparing it to a 1-D convective-dispersive transport in terms of 1-D resident concentration profiles and to dilution indices, here used as estimates of preferential transport. We, furthermore, showed that the tracer diffusion from one of the macropores into the soil matrix could not be fitted with a cylindrical diffusion equation. We are positive that similar studies will help establishing links between soil

  1. Modeling preferential water flow and solute transport in unsaturated soil using the active region model

    SciTech Connect

    Sheng, F.; Wang, K.; Zhang, R.; Liu, H.H.

    2009-03-15

    Preferential flow and solute transport are common processes in the unsaturated soil, in which distributions of soil water content and solute concentrations are often characterized as fractal patterns. An active region model (ARM) was recently proposed to describe the preferential flow and transport patterns. In this study, ARM governing equations were derived to model the preferential soil water flow and solute transport processes. To evaluate the ARM equations, dye infiltration experiments were conducted, in which distributions of soil water content and Cl{sup -} concentration were measured. Predicted results using the ARM and the mobile-immobile region model (MIM) were compared with the measured distributions of soil water content and Cl{sup -} concentration. Although both the ARM and the MIM are two-region models, they are fundamental different in terms of treatments of the flow region. The models were evaluated based on the modeling efficiency (ME). The MIM provided relatively poor prediction results of the preferential flow and transport with negative ME values or positive ME values less than 0.4. On the contrary, predicted distributions of soil water content and Cl- concentration using the ARM agreed reasonably well with the experimental data with ME values higher than 0.8. The results indicated that the ARM successfully captured the macroscopic behavior of preferential flow and solute transport in the unsaturated soil.

  2. Evaluation of unsaturated-zone solute-transport models for studies of agricultural chemicals

    USGS Publications Warehouse

    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

    Of the models tested, RZWQM, HYDRUS2D, VS2DT, GLEAMS and PRZM had graphical user interfaces. Extensive documentation was available for RZWQM, HYDRUS2D, and VS2DT. RZWQM can explicitly simulate water and solute flux in macropores, and both HYDRUS2D and VS2DT can simulate water and solute flux in two dimensions. The version of RZWQM tested had a maximum simulation depth of 3 meters. The complex models simulate the formation, transport, and fate of degradates of up to three to five compounds including the parent, with the exception of VS2DT, which simulates the transport and fate of a single compound.

  3. Analytic solutions of tracer transport in fractured rock associated with precipitation-dissolution reactions

    SciTech Connect

    Liu, H.H.; Mukhopadhyay, S.; Spycher, N.; Kennedy, B.

    2011-03-15

    Precipitation-dissolution reactions are important for a number of applications such as isotopic tracer transport in the subsurface. Analytical solutions have been developed for tracer transport in both single-fracture and multiple-fracture systems associated with these reactions under transient and steady-state transport conditions. These solutions also take into account advective transport in fractures and molecular diffusion in the rock matrix. For studying distributions of disturbed tracer concentration (the difference between actual concentration and its equilibrium value), effects of precipitation-dissolution reactions are mathematically equivalent to a 'decay' process with a decay constant proportional to the corresponding bulk reaction rate. This important feature significantly simplifies the derivation procedure by taking advantage of the existence of analytical solutions for tracer transport associated with radioactive decay in fractured rock. It is also useful for interpreting tracer breakthrough curves, because the impact of a decay process is relatively easy to analyze. Several illustrative examples are presented, which show that the results are sensitive to fracture spacing, matrix diffusion coefficient (fracture surface area), and bulk reaction rate (or 'decay' constant), indicating that the relevant flow and transport parameters may be estimated by analyzing tracer signals.

  4. Strategic network design of Java Island fuel supply with production-transportation solution

    NASA Astrophysics Data System (ADS)

    Dianawati, Fauzia; Farizal, -; Surjandari, Isti; Marzuli, Rully

    2011-10-01

    This study aims to find more efficient supply network, from refineries / imports to fuel terminal, which still uses the Tanker, Tank Trucks or Rail Tank Wagon with an alternative pipeline that are considered more efficient than other transport modes, as well as gaining pipeline transportation network optimization analysis tailored to the capabilities/ capacity of refinery production and capacity of the pipe mode. With the complexity of the number of 3 point sources of supply, 19 destination of terminal, 4 kinds of products and 4 types of transport modes, transport-production model modified by adding multi-modal transport and investment costs of new pipeline. Then coded in Lingo program which adopts Branch & Bound technique and input the processed data in order to obtain an optimal distribution pattern produced the lowest distribution costs. This B&B solution was also compared with SCO solution which is a metaheuristic method. The results of this study lead to the development of new modes of pipeline connections in amount of 4 alternatives, generated from the optimal solution, but still potentially earned savings of about IDR 1 Trillion per year from cost-efficiency of product procurement and transportation costs.

  5. Solutions and reductions for radiative energy transport in laser-heated plasma

    SciTech Connect

    Broadbridge, P.; Ivanova, N. M.

    2015-01-15

    A full symmetry classification is given for models of energy transport in radiant plasma when the mass density is spatially variable and the diffusivity is nonlinear. A systematic search for conservation laws also leads to some potential symmetries and to an integrable nonlinear model. Classical point symmetries, potential symmetries, and nonclassical symmetries are used to effect variable reductions and exact solutions. The simplest time-dependent solution is shown to be stable and relevant to a closed system.

  6. New Solution of Diffusion-Advection Equation for Cosmic-Ray Transport Using Ultradistributions

    NASA Astrophysics Data System (ADS)

    Rocca, M. C.; Plastino, A. R.; Plastino, A.; Ferri, G. L.; de Paoli, A.

    2015-11-01

    In this paper we exactly solve the diffusion-advection equation (DAE) for cosmic-ray transport. For such a purpose we use the Theory of Ultradistributions of J. Sebastiao e Silva, to give a general solution for the DAE. From the ensuing solution, we obtain several approximations as limiting cases of various situations of physical and astrophysical interest. One of them involves Solar cosmic-rays' diffusion.

  7. The nature of the sunspot phenomenon. I - Solutions of the heat transport equation

    NASA Technical Reports Server (NTRS)

    Parker, E. N.

    1974-01-01

    It is pointed out that sunspots represent a disruption in the uniform flow of heat through the convective zone. The basic sunspot structure is, therefore, determined by the energy transport equation. The solutions of this equation for the case of stochastic heat transport are examined. It is concluded that a sunspot is basically a region of enhanced, rather than inhibited, energy transport and emissivity. The heat flow equations are discussed and attention is given to the shallow depth of the sunspot phenomenon. The sunspot is seen as a heat engine of high efficiency which converts most of the heat flux into hydromagnetic waves.

  8. Transport solutions of the Lamé equations and shock elastic waves

    NASA Astrophysics Data System (ADS)

    Alexeyeva, L. A.; Kaishybaeva, G. K.

    2016-07-01

    The Lamé system describing the dynamics of an isotropic elastic medium affected by a steady transport load moving at subsonic, transonic, or supersonic speed is considered. Its fundamental and generalized solutions in a moving frame of reference tied to the transport load are analyzed. Shock waves arising in the medium at supersonic speeds are studied. Conditions on the jump in the stress, displacement rate, and energy across the shock front are obtained using distribution theory. Numerical results concerning the dynamics of an elastic medium influenced by concentrated transport loads moving at sub-, tran- and supersonic speeds are presented.

  9. A comprehensive one-dimensional numerical model for solute transport in rivers

    NASA Astrophysics Data System (ADS)

    Barati Moghaddam, Maryam; Mazaheri, Mehdi; MohammadVali Samani, Jamal

    2017-01-01

    One of the mechanisms that greatly affect the pollutant transport in rivers, especially in mountain streams, is the effect of transient storage zones. The main effect of these zones is to retain pollutants temporarily and then release them gradually. Transient storage zones indirectly influence all phenomena related to mass transport in rivers. This paper presents the TOASTS (third-order accuracy simulation of transient storage) model to simulate 1-D pollutant transport in rivers with irregular cross-sections under unsteady flow and transient storage zones. The proposed model was verified versus some analytical solutions and a 2-D hydrodynamic model. In addition, in order to demonstrate the model applicability, two hypothetical examples were designed and four sets of well-established frequently cited tracer study data were used. These cases cover different processes governing transport, cross-section types and flow regimes. The results of the TOASTS model, in comparison with two common contaminant transport models, shows better accuracy and numerical stability.

  10. Quantifying the relative contributions of different solute carriers to aggregate substrate transport

    PubMed Central

    Taslimifar, Mehdi; Oparija, Lalita; Verrey, Francois; Kurtcuoglu, Vartan; Olgac, Ufuk; Makrides, Victoria

    2017-01-01

    Determining the contributions of different transporter species to overall cellular transport is fundamental for understanding the physiological regulation of solutes. We calculated the relative activities of Solute Carrier (SLC) transporters using the Michaelis-Menten equation and global fitting to estimate the normalized maximum transport rate for each transporter (Vmax). Data input were the normalized measured uptake of the essential neutral amino acid (AA) L-leucine (Leu) from concentration-dependence assays performed using Xenopus laevis oocytes. Our methodology was verified by calculating Leu and L-phenylalanine (Phe) data in the presence of competitive substrates and/or inhibitors. Among 9 potentially expressed endogenous X. laevis oocyte Leu transporter species, activities of only the uniporters SLC43A2/LAT4 (and/or SLC43A1/LAT3) and the sodium symporter SLC6A19/B0AT1 were required to account for total uptake. Furthermore, Leu and Phe uptake by heterologously expressed human SLC6A14/ATB0,+ and SLC43A2/LAT4 was accurately calculated. This versatile systems biology approach is useful for analyses where the kinetics of each active protein species can be represented by the Hill equation. Furthermore, its applicable even in the absence of protein expression data. It could potentially be applied, for example, to quantify drug transporter activities in target cells to improve specificity. PMID:28091567

  11. A pump-pore model for transmembrane transport of hydrophilic solutes.

    PubMed Central

    Roberts, E

    1993-01-01

    Transmembrane transport of a hydrophilic solute is presumed to begin when hydrated ligand adheres in Velcro-like fashion to hydrated membrane surface. Asymmetric physical forces cause rolling movements of ligand over membrane surface until contact occurs with appropriate transport machinery, consisting of a pump (Pu) to which is tethered a ligand (Li)-specific perm-selective pore (Po). The Po is in the open form when the Li is attached to an external high-affinity allosteric site on it. The active form of the Pu is stabilized by attachment of the Li to high-affinity internal or low-affinity external allosteric sites. The active form of the Pu induces closure of the Po, even when ligand is bound to it; the inactive conformation of the Pu permits Po opening. Attachment of Li to either one of two binding sites on the active Pu and irreversible envelopment by it in Venus fly-trap fashion trigger transmembrane transport of Li. Multistep attachment of Li is rate-limiting in the transport process. Application of a simple equation derived from relevant kinetic considerations relating velocity of transport (V) to concentration of Li (L), V = k1(L)1/2, gives V-L curves approximating transport data obtained in a variety of biological systems. This model is congruent with the ability of cells to concentrate substances from extremely dilute solutions and with the adaptive informational value to cells of rates of transport. PMID:8102798

  12. Osmosis and solute-solvent drag: fluid transport and fluid exchange in animals and plants.

    PubMed

    Hammel, H T; Schlegel, Whitney M

    2005-01-01

    , (3) the return of interstitial fluid to the vasa recta, (4) return of aqueous humor to the episcleral veins, and (5) flow of phloem from source to sink in higher plants and many more examples of fluid transport and fluid exchange in animal and plant physiology. When a membrane is permeable to water only and when it separates differing aqueous solutions, the flow of water is from the solution with the lower osmotic pressure to the solution with the higher osmotic pressure.

  13. Proton-associated sucrose transport of mammalian solute carrier family 45: an analysis in Saccharomyces cerevisiae.

    PubMed

    Bartölke, Rabea; Heinisch, Jürgen J; Wieczorek, Helmut; Vitavska, Olga

    2014-12-01

    The members of the solute carrier 45 (SLC45) family have been implicated in the regulation of glucose homoeostasis in the brain (SLC45A1), with skin and hair pigmentation (SLC45A2), and with prostate cancer and myelination (SLC45A3). However, apart from SLC45A1, a proton-associated glucose transporter, the function of these proteins is still largely unknown, although sequence similarities to plant sucrose transporters mark them as a putative sucrose transporter family. Heterologous expression of the three members SLC45A2, SLC45A3 and SLC45A4 in Saccharomyces cerevisiae confirmed that they are indeed sucrose transporters. [(14)C]Sucrose-uptake measurements revealed intermediate transport affinities with Km values of approximately 5 mM. Transport activities were best under slightly acidic conditions and were inhibited by the protonophore carbonyl cyanide m-chlorophenylhydrazone, demonstrating an H(+)-coupled transport mechanism. Na(+), on the other hand, had no effect on sucrose transport. Competitive inhibition assays indicated a possible transport also of glucose and fructose. Real-time PCR of mouse tissues confirmed mRNA expression of SLC45A2 in eyes and skin and of SLC45A3 primarily in the prostate, but also in other tissues, whereas SLC45A4 showed a predominantly ubiquitous expression. Altogether the results provide new insights into the physiological significance of SLC45 family members and challenge existing concepts of mammalian sugar transport, as they (i) transport a disaccharide, and (ii) perform secondary active transport in a proton-dependent manner.

  14. Testing and benchmarking of a three-dimensional groundwater flow and solute transport model

    SciTech Connect

    Sims, P.N.; Andersen, P.F.; Faust, C.R.; Stephenson, D.E.

    1988-12-31

    A three-dimensional finite-difference model was developed to simulate groundwater flow and solute transport. The model is intended for application to a variety of groundwater resource and solute migration evaluations, including several complex sites at the Savannah River Plant (SRP). Because the model, FTWORK, is relatively new, there is a need to provide confidence in the model results. Methodologies that test models include comparisons with analytical solutions, comparisons with empirical data, and checking that conservation properties hold. Another level of testing is the comparison of one code against another. This paper describes the testing and benchmarking procedure used to verify the validate FTWORK.

  15. Examining the influence of heterogeneous porosity fields on conservative solute transport

    USGS Publications Warehouse

    Hu, B.X.; Meerschaert, M.M.; Barrash, W.; Hyndman, D.W.; He, C.; Li, X.; Guo, Laodong

    2009-01-01

    It is widely recognized that groundwater flow and solute transport in natural media are largely controlled by heterogeneities. In the last three decades, many studies have examined the effects of heterogeneous hydraulic conductivity fields on flow and transport processes, but there has been much less attention to the influence of heterogeneous porosity fields. In this study, we use porosity and particle size measurements from boreholes at the Boise Hydrogeophysical Research Site (BHRS) to evaluate the importance of characterizing the spatial structure of porosity and grain size data for solute transport modeling. Then we develop synthetic hydraulic conductivity fields based on relatively simple measurements of porosity from borehole logs and grain size distributions from core samples to examine and compare the characteristics of tracer transport through these fields with and without inclusion of porosity heterogeneity. In particular, we develop horizontal 2D realizations based on data from one of the less heterogeneous units at the BHRS to examine effects where spatial variations in hydraulic parameters are not large. The results indicate that the distributions of porosity and the derived hydraulic conductivity in the study unit resemble fractal normal and lognormal fields respectively. We numerically simulate solute transport in stochastic fields and find that spatial variations in porosity have significant effects on the spread of an injected tracer plume including a significant delay in simulated tracer concentration histories.

  16. Solute Transport of Negatively Charged Contrast Agents Across Articular Surface of Injured Cartilage.

    PubMed

    Kokkonen, H T; Chin, H C; Töyräs, J; Jurvelin, J S; Quinn, T M

    2017-04-01

    Solute transport through the extracellular matrix (ECM) is crucial to chondrocyte metabolism. Cartilage injury affects solute transport in cartilage due to alterations in ECM structure and solute-matrix interactions. Therefore, cartilage injury may be detected by using contrast agent-based clinical imaging. In the present study, effects of mechanical injury on transport of negatively charged contrast agents in cartilage were characterized. Using cartilage plugs injured by mechanical compression protocol, effective partition coefficients and diffusion fluxes of iodine- and gadolinium-based contrast agents were measured using high resolution microCT imaging. For all contrast agents studied, effective diffusion fluxes increased significantly, particularly at early times during the diffusion process (38 and 33% increase after 4 min, P < 0.05 for iodine and Gd-DTPA; and 76% increase after 10 min for diatrizoate, P < 0.05). Effective partition coefficients were unaffected in mechanically injured cartilage. Mechanical injury reduced PG content and collagen integrity in cartilage superficial zone. This study suggests that alterations in contrast agent diffusion flux, a non-equilibrium transport parameter, provides a more sensitive indicator for assessment of cartilage matrix integrity than partition coefficient and the equilibrium distribution of solute. These findings may help in developing clinical methods of contrast agent-based imaging to detect cartilage injury.

  17. Analytical solutions for one-dimensional colloid transport in saturated fractures

    NASA Astrophysics Data System (ADS)

    Abdel-Salam, Assem; Chrysikopoulos, Constantinos V.

    Closed-form analytical solutions for colloid transport in single rock fractures with and without colloid penetration into the rock matrix are derived for constant concentration as well as constant flux boundary conditions. A single fracture is idealized as two semi-infinite parallel plates. It is assumed that colloidal particles undergo irreversible deposition onto fracture surfaces and may penetrate into the rock matrix, and deposit irreversibly onto rock matrix solid surfaces. The solutions are obtained by taking Laplace transforms to the governing transport equations and boundary conditions with respect to time and space. For the case of no colloid penetration into the rock matrix, the solutions are expressed in terms of exponentials and complimentary error functions; whereas, for the case of colloid penetration into the rock matrix, the solutions are expressed in terms of convolution integrals and modified Bessel functions. The impact of the model parameters on colloid transport is examined. The results from several simulations indicate that liquid-phase as well as deposited colloid concentrations in the fracture are sensitive to the fracture surface deposition coefficient, the fracture aperture, and the Brownian diffusion coefficient for colloidal particles penetrating the rock matrix. Furthermore, it is shown that the differences between the two boundary conditions investigated are minimized at dominant advective transport conditions. The constant concentration condition overestimates liquid-phase colloid concentrations, whereas the constant flux condition leads to conservation of mass.

  18. Semianalytical Solutions for Transport in Aquifer and Fractured Clay Matrix System

    EPA Science Inventory

    A three-dimensional mathematical model that describes transport of contaminant in a horizontal aquifer with simultaneous diffusion into a fractured clay formation is proposed. A group of analytical solutions is derived based on specific initial and boundary conditions as well as ...

  19. Destabilization of the thermohaline circulation by atmospheric transports: An analytic solution

    SciTech Connect

    Krasovskiy, Y.P.; Stone, P.H.

    1998-07-01

    The four-box coupled atmosphere-ocean model of Marotzke is solved analytically, by introducing the approximation that the effect of oceanic heat advection on ocean temperatures is small (but not negligible) compared to the effect of surface heat fluxes. The solutions are written in a form that displays how the stability of the thermohaline circulation depends on the relationship between atmospheric meridional transports of heat and moisture and the meridional temperature gradient. In the model, these relationships are assumed to be power laws with different exponents allowed for the dependence of the transports of heat and moisture on the gradient. The approximate analytic solutions are in good agreement with Marotzke`s exact numerical solutions, but show more generally how the destabilization of the thermohaline circulation depends on the sensitivity of the atmospheric transports to the meridional temperature gradient. The solutions are also used to calculate how the stability of the thermohaline circulation is changed if model errors are corrected by using conventional flux adjustments. Errors like those common in GCMs destabilize the model`s thermohaline circulation, even if conventional flux adjustments are used. However, the resulting errors in the magnitude of the critical perturbations necessary to destabilize the thermohaline circulation can be corrected by modifying transport efficiencies instead.

  20. MaSTiS, microorganism and solute transport in streams, model documentation and user manual

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  1. Enhancements and limits in drug membrane transport using supersaturated solutions of poorly water soluble drugs.

    PubMed

    Raina, Shweta A; Zhang, Geoff G Z; Alonzo, David E; Wu, Jianwei; Zhu, Donghua; Catron, Nathaniel D; Gao, Yi; Taylor, Lynne S

    2014-09-01

    Amorphous solid dispersions (ASDs) give rise to supersaturated solutions (solution concentration greater than equilibrium crystalline solubility). We have recently found that supersaturating dosage forms can exhibit the phenomenon of liquid-liquid phase separation (LLPS). Thus, the high supersaturation generated by dissolving ASDs can lead to a two-phase system wherein one phase is an initially nanodimensioned and drug-rich phase and the other is a drug-lean continuous aqueous phase. Herein, the membrane transport of supersaturated solutions, at concentrations above and below the LLPS concentration has been evaluated using a side-by-side diffusion cell. Measurements of solution concentration with time in the receiver cell yield the flux, which reflects the solute thermodynamic activity in the donor cell. As the nominal concentration of solute in the donor cell increases, a linear increase in flux was observed up to the concentration where LLPS occurred. Thereafter, the flux remained essentially constant. Both nifedipine and felodipine solutions exhibit such behavior as long as crystallization is absent. This suggests that there is an upper limit in passive membrane transport that is dictated by the LLPS concentration. These results have several important implications for drug delivery, especially for poorly soluble compounds requiring enabling formulation technologies.

  2. Low-flow transport models for conservative and sorbed solutes; Uvas Creek, near Morgan Hill, California

    USGS Publications Warehouse

    Jackman, A.P.; Walters, R.A.; Kennedy, V.C.

    1984-01-01

    Models describing low-flow transport of conservative (nonreactive) and reactive solutes, which adsorb on the streambed, are developed and tested. Temporary storage within the bed plays an important role in solute movement. Three different models of bed-storage processes are developed for conservative solutes. One model assumes the bed is a well-mixed, nondiffusing, nonreacting zone. Solute flux into the bed is then proportional to the difference between stream and bed-solute concentrations. A second model assumes that solute is transported within the bed by a vertical diffusion process. The bed-solute concentration, which matches the stream concentration at the interface, varies with depth in the bed according to Fick 's law. A third model assumes convection in the downstream direction occurs in certain parts of the bed, while the mechanism of the first model functions elsewhere. Storage of absorbing species is assumed to occur by equilibrium adsorption within streambed particles. Uptake rate is described by an intraparticle diffusion process. Model equations were solved using finite element numerical methods. Models were calibrated using data from a 24-hour injection of conservative chloride and adsorptive Sr ions at Uvas Creek near Morgan Hill, California. All models predict well except for some overestimation by the adsorption model during dieaway. (USGS)

  3. Solution-processable graphene oxide as an efficient hole transport layer in polymer solar cells.

    PubMed

    Li, Shao-Sian; Tu, Kun-Hua; Lin, Chih-Cheng; Chen, Chun-Wei; Chhowalla, Manish

    2010-06-22

    The utilization of graphene oxide (GO) thin films as the hole transport and electron blocking layer in organic photovoltaics (OPVs) is demonstrated. The incorporation of GO deposited from neutral solutions between the photoactive poly(3-hexylthiophene) (P3HT):phenyl-C61-butyric acid methyl ester (PCBM) layer and the transparent and conducting indium tin oxide (ITO) leads to a decrease in recombination of electrons and holes and leakage currents. This results in a dramatic increase in the OPV efficiencies to values that are comparable to devices fabricated with PEDOT:PSS as the hole transport layer. Our results indicate that GO could be a simple solution-processable alternative to PEDOT:PSS as the effective hole transport and electron blocking layer in OPV and light-emitting diode devices.

  4. The solute carrier family 10 (SLC10): beyond bile acid transport

    PubMed Central

    da Silva, Tatiana Claro; Polli, James E.; Swaan, Peter W.

    2012-01-01

    The solute carrier (SLC) family 10 (SLC10) comprises influx transporters of bile acids, steroidal hormones, various drugs, and several other substrates. Because the seminal transporters of this family, namely, sodium/taurocholate cotransporting polypeptide (NTCP; SLC10A1) and the apical sodium-dependent bile acid transporter (ASBT; SLC10A2), were primarily bile acid transporters, the term “sodium bile salt cotransporting family” was used for the SLC10 family. However, this notion became obsolete with the finding of other SLC10 members that do not transport bile acids. For example, the sodium-dependent organic anion transporter (SOAT; SLC10A6) transports primarily sulfated steroids. Moreover, NTCP was shown to also transport steroids and xenobiotics, including HMG-CoA inhibitors (statins). The SLC10 family contains four additional members, namely, P3 (SLC10A3; SLC10A3), P4 (SLC10A4; SLC10A4), P5 (SLC10A5; SLC10A5) and SLC10A7 (SLC10A7), several of which were unknown or considered hypothetical until approximately a decade ago. While their substrate specificity remains undetermined, great progress has been made towards their characterization in recent years. SLC10A4 may participate in vesicular storage or exocytosis of neurotransmitters or mastocyte mediators, whereas SLC10A5 and SLC10A7 may be involved in solute transport and SLC10A3 may have a role as a housekeeping protein. Finally, the newly found role of bile acids in glucose and energy homeostasis, via the TGR5 receptor, sheds new light on the clinical relevance of ASBT and NTCP. The present mini-review provides a brief summary of recent progress on members of the SLC10 family. PMID:23506869

  5. A nonequilibrium model for reactive contaminant transport through fractured porous media: Model development and semianalytical solution

    NASA Astrophysics Data System (ADS)

    Joshi, Nitin; Ojha, C. S. P.; Sharma, P. K.

    2012-10-01

    In this study a conceptual model that accounts for the effects of nonequilibrium contaminant transport in a fractured porous media is developed. Present model accounts for both physical and sorption nonequilibrium. Analytical solution was developed using the Laplace transform technique, which was then numerically inverted to obtain solute concentration in the fracture matrix system. The semianalytical solution developed here can incorporate both semi-infinite and finite fracture matrix extent. In addition, the model can account for flexible boundary conditions and nonzero initial condition in the fracture matrix system. The present semianalytical solution was validated against the existing analytical solutions for the fracture matrix system. In order to differentiate between various sorption/transport mechanism different cases of sorption and mass transfer were analyzed by comparing the breakthrough curves and temporal moments. It was found that significant differences in the signature of sorption and mass transfer exists. Applicability of the developed model was evaluated by simulating the published experimental data of Calcium and Strontium transport in a single fracture. The present model simulated the experimental data reasonably well in comparison to the model based on equilibrium sorption assumption in fracture matrix system, and multi rate mass transfer model.

  6. Macropore system characteristics controls on non-reactive solute transport at different flow rates

    NASA Astrophysics Data System (ADS)

    Larsbo, Mats; Koestel, John

    2014-05-01

    Preferential flow and transport in macroporous soils are important pathways for the leaching of agrochemicals through soils. Preferential solute transport in soil is to a large extent determined by the macropore system characteristics and the water flow conditions. The importance of different characteristics of the macropore system is likely to vary with the flow conditions. The objective of this study was to determine which properties of the macropore system that control the shape of non-reactive tracer solute breakthrough curves at different steady-state flow rates. We sampled five undisturbed columns (20 cm high, 20 cm diameter) from the soil surface of four soils with clay contents between 21 and 50 %. Solute transport experiments were carried out under unsaturated conditions at 2, 4, 6, 8 and 12 mm h-1 flow rates. For each flow rate a pulse of potassium bromide solution was applied at the soil surface and the electrical conductivity was measured with high temporal resolution in the column effluent. We used the 5 % arrival time and the holdback factor to estimate the degree of preferential transport from the resulting breakthrough curves. Unsaturated hydraulic conductivities were measured at the soil surface of the columns using a tension disc infiltrometer. The macropore system was imaged by industrial X-ray computed tomography at a resolution of 125 μm in all directions. Measures of the macropore system characteristics including measures of pore continuity were calculated from these images using the ImageJ software. Results show that the degree of preferential transport is generally increasing with flow rate when larger pores become active in the transport. The degree of preferential flow was correlated to measures of macropore topology. This study show that conclusions drawn from experiments carried out at one flow rate should generally not be extrapolated to other flow rates.

  7. Colloid transport in porous media: impact of hyper-saline solutions.

    PubMed

    Magal, Einat; Weisbrod, Noam; Yechieli, Yoseph; Walker, Sharon L; Yakirevich, Alexander

    2011-05-01

    The transport of colloids suspended in natural saline solutions with a wide range of ionic strengths, up to that of Dead Sea brines (10(0.9) M) was explored. Migration of microspheres through saturated sand columns of different sizes was studied in laboratory experiments and simulated with mathematical models. Colloid transport was found to be related to the solution salinity as expected. The relative concentration of colloids at the columns outlet decreased (after 2-3 pore volumes) as the solution ionic strength increased until a critical value was reached (ionic strength > 10(-1.8) M) and then remained constant above this level of salinity. The colloids were found to be mobile even in the extremely saline brines of the Dead Sea. At such high ionic strength no energetic barrier to colloid attachment was presumed to exist and colloid deposition was expected to be a favorable process. However, even at these salinity levels, colloid attachment was not complete and the transport of ∼ 30% of the colloids through the 30-cm long columns was detected. To further explore the deposition of colloids on sand surfaces in Dead Sea brines, transport was studied using 7-cm long columns through which hundreds of pore volumes were introduced. The resulting breakthrough curves exhibited a bimodal shape whereby the relative concentration (C/C(0)) of colloids at the outlet rose to a value of 0.8, and it remained relatively constant (for the ∼ 18 pore volumes during which the colloid suspension was flushed through the column) and then the relative concentration increased to a value of one. The bimodal nature of the breakthrough suggests different rates of colloid attachment. Colloid transport processes were successfully modeled using the limited entrapment model, which assumes that the colloid attachment rate is dependent on the concentration of the attached colloids. Application of this model provided confirmation of the colloid aggregation and their accelerated attachment during

  8. Geoelectrical evidence of bicontinuum transport in groundwater

    USGS Publications Warehouse

    Singha, K.; Day-Lewis, F. D.; Lane, J.W.

    2007-01-01

    Bicontinuum models and rate-limited mass transfer (RLMT) explain complex transport behavior (e.g., long tailing and rebound) in heterogeneous geologic media, but experimental verification is problematic because geochemical samples represent the mobile component of the pore space. Here, we present geophysical evidence of RLMT at the field scale during an aquifer-storage and recovery experiment in a fractured limestone aquifer in Charleston, South Carolina. We observe a hysteretic relation between measurements of porefluid conductivity and bulk electrical conductivity; this hysteresis contradicts advective-dispersive transport and the standard petrophysical model relating pore-fluid and bulk conductivity, but can be explained by considering bicontinuum transport models that include first-order RLMT. Using a simple numerical model, we demonstrate that geoelectrical measurements are sensitive to bicontinuum transport and RLMT parameters, which are otherwise difficult to infer from direct, hydrologic measurements. Copyright 2007 by the American Geophysical Union.

  9. Geoelectrical evidence of bicontinuum transport in groundwater

    NASA Astrophysics Data System (ADS)

    Singha, Kamini; Day-Lewis, F. D.; Lane, J. W.

    2007-06-01

    Bicontinuum models and rate-limited mass transfer (RLMT) explain complex transport behavior (e.g., long tailing and rebound) in heterogeneous geologic media, but experimental verification is problematic because geochemical samples represent the mobile component of the pore space. Here, we present geophysical evidence of RLMT at the field scale during an aquifer-storage and recovery experiment in a fractured limestone aquifer in Charleston, South Carolina. We observe a hysteretic relation between measurements of pore-fluid conductivity and bulk electrical conductivity; this hysteresis contradicts advective-dispersive transport and the standard petrophysical model relating pore-fluid and bulk conductivity, but can be explained by considering bicontinuum transport models that include first-order RLMT. Using a simple numerical model, we demonstrate that geoelectrical measurements are sensitive to bicontinuum transport and RLMT parameters, which are otherwise difficult to infer from direct, hydrologic measurements.

  10. A Review of Darcy's Law: Limitations and Alternatives for Predicting Solute Transport

    NASA Astrophysics Data System (ADS)

    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.

  11. Intercomparison of 3D pore-scale flow and solute transport simulation methods

    SciTech Connect

    Yang, Xiaofan; Mehmani, Yashar; Perkins, William A.; Pasquali, Andrea; Schonherr, Martin; Kim, Kyungjoo; Perego, Mauro; Parks, Michael L.; Trask, Nathaniel; Balhoff, Matthew T.; Richmond, Marshall C.; Geier, Martin; Krafczyk, Manfred; Luo, Li -Shi; Tartakovsky, Alexandre M.; Scheibe, Timothy D.

    2015-09-28

    In this study, multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include (1) methods that explicitly model the three-dimensional geometry of pore spaces and (2) methods that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of the first type, using computational fluid dynamics (CFD) codes employing a standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of the first type based on the lattice Boltzmann method (LBM) and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (FVM-based CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and (for capable codes) nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The intercomparison work was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This study provides support

  12. Aquifer Heterogeneity and Solute-Transport Modeling in the Floridan Aquifer System

    NASA Astrophysics Data System (ADS)

    Guo, W.; Maliva, R. G.; Missimer, T. M.

    2008-05-01

    The Floridan Aquifer System (FAS) is one of the most prolific aquifers in the world and is widely used for public and irrigation water supply. The FAS is also increasingly being used as a storage zone for aquifer storage and recovery (ASR) systems, including a 333-well system that is planned as part of the Comprehensive Everglades Restoration Plan (CERP). The FAS is highly heterogeneous with respect to hydraulic conductivity, with meter- scale inter-bed variation exceeding seven orders of magnitude in some cases, even in South Florida where mega-karst is not well developed. Aquifer heterogeneity can have a major impact on ASR system performance because of its affects on the movement and mixing of stored water. Aquifer heterogeneity poses challenges for accurate modeling of the FAS, including solute transport modeling of ASR systems and variable density flow modeling of the freshwater/saltwater interface along coastal areas. Dispersivity is an important parameter in solute transport modeling, which is associated with aquifer heterogeneity. Commonly the values of dispersivity used in solute-transport modeling are derived from literature review and adjusted during model calibration process. Artificially large dispersivity values are often used in solute-transport models of ASR systems as a "fudge factor" to simulate the apparent greater mixing caused by inter-bed heterogeneity. This approach is problematic because the use of artificial hydraulic parameters for calibration opens the results of predictive simulations to question. The use of large dispersivity values to simulate aquifer heterogeneity also does not incorporate other impacts of aquifer heterogeneity, such as differential flow rates and migration distances between beds. The technical challenge is to incorporate aquifer heterogeneity into groundwater models at a scale that is sufficient to adequately simulate its effect on ASR system performance and coastal groundwater flow, while maintaining acceptable

  13. Intercomparison of 3D pore-scale flow and solute transport simulation methods

    NASA Astrophysics Data System (ADS)

    Yang, Xiaofan; Mehmani, Yashar; Perkins, William A.; Pasquali, Andrea; Schönherr, Martin; Kim, Kyungjoo; Perego, Mauro; Parks, Michael L.; Trask, Nathaniel; Balhoff, Matthew T.; Richmond, Marshall C.; Geier, Martin; Krafczyk, Manfred; Luo, Li-Shi; Tartakovsky, Alexandre M.; Scheibe, Timothy D.

    2016-09-01

    Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include 1) methods that explicitly model the three-dimensional geometry of pore spaces and 2) methods that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of the first type, using computational fluid dynamics (CFD) codes employing a standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of the first type based on the lattice Boltzmann method (LBM) and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (FVM-based CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and (for capable codes) nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The intercomparison work was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This study provides support for confidence

  14. Thermodynamics of Irreversible Processes Applied to Solute Transport in Non Saturated Porous Media

    NASA Astrophysics Data System (ADS)

    Mathieu-Balster, I.; Sicard, J.

    1999-09-01

    Modeling of solute transport in non-saturated and non-isothermal porous media is dealt with by thermodynamics of irreversible processes. This rigorous approach enables us to consider the different kinds of transfer and the coupling. Every physical phenomenon as water phase transition and solute adsorption by the solid matrix can be taken into account. The final model may be applied to several fields such as civil engineering, agronomy, pollution and the assessment of radioactive waste repositories. A numerical modeling taking into account the effect of temperature gradient on solute transport (“Soret effect”) is in the process of implementation in the French software “CESAR-LCPC” of the “Laboratoire Central des Ponts et Chaussées”.

  15. Testing a method-of-characteristics model of three-dimensional solute transport in ground water

    USGS Publications Warehouse

    Goode, Daniel J.; Konikow, Leonard F.; ,

    1991-01-01

    A new three-dimensional model of solute transport in groundwater that is based on a widely used two-dimensional method of characteristics model and is coupled to a modular finite-difference flow model is under development. The model's accuracy for ideal aquifers having homogeneous properties, uniform boundary conditions, and steady flow along a grid direction is demonstrated by comparison with conventional analytical solutions. The effect of spatially and temporally variable flow velocities is investigated by comparison with special analytical solutions. To test the performance of the model for typical hydrogeologic conditions, we compare results with those from other models as well as with results from the same model using smaller grid spacings and time steps. This model generally provides accurate results for realistic simulations, and is particularly efficient for advection-dominated transport.

  16. Microbial Growth, Water Flow, and Solute Transport in Unsaturated Porous Media

    NASA Astrophysics Data System (ADS)

    Yarwood, R. R.; Rockhold, M. L.; Niemet, M. R.; Bottomley, P. J.; Selker, J. S.

    2004-05-01

    We present an investigation that studied interactions between microbial growth, water flow, and solute transport in variably saturated porous media. The experimental system provided for continuous, noninvasive observation of microbial activity, while simultaneously monitoring water content and solute flow paths in a two-dimensional porous matrix. The spatial and temporal development of microbial colonization by a Pseudomonas fluorescens bacterium was monitored by induction of a bioluminescent phenotype. A model was developed that allowed quantification of population density from bioluminescence measurements. Liquid saturation was quantified from the transmission of light through the system, and solute flow paths were determined with a dye tracer. Dramatic changes in microbial colonization were observed, including upward migration against flow. This migration was particularly interesting because it cannot be explained by passive transport. Bacterial growth and accumulation significantly impacted the hydrologic properties of the media, including apparent desaturation within the colonized region, diversion of flow around the colonized region, and lowering of the capillary fringe height.

  17. A mathematical model for the transport of a solute through a porous-walled tube

    NASA Astrophysics Data System (ADS)

    Griffiths, Ian; Shipley, Rebecca

    2012-02-01

    Predicting the distribution of solutes or particles in flows within porous-walled tubes is essential to inform the design of cross-flow filtration devices. Here we use Taylor-dispersion theory to derive a radially averaged model for solute transport in a tube with porous walls, where the wall Darcy permeability may vary both spatially and in time. Crucially, this model includes solute advection via both radial and axial flow components, as well as diffusion, and the advection, diffusion and uptake coefficients in the averaged equation are explicitly derived. The model is used to explore the specific example of a hollow-fibre membrane bioreactor for tissue engineering applications - here membrane fouling and cell population expansion mean that the effective membrane permeability is intrinsically coupled to both fluid flow and nutrient transport. We conclude by presenting design considerations that promote spatially uniform cell population growth.

  18. Temperature and solute-transport simulation in streamflow using a Lagrangian reference frame

    USGS Publications Warehouse

    Jobson, Harvey E.

    1980-01-01

    A computer program for simulating one-dimensional, unsteady temperature and solute transport in a river has been developed and documented for general use. The solution approach to the convective-diffusion equation uses a moving reference frame (Lagrangian) which greatly simplifies the mathematics of the solution procedure and dramatically reduces errors caused by numerical dispersion. The model documentation is presented as a series of four programs of increasing complexity. The conservative transport model can be used to route a single conservative substance. The simplified temperature model is used to predict water temperature in rivers when only temperature and windspeed data are available. The complete temperature model is highly accurate but requires rather complete meteorological data. Finally, the 10-parameter model can be used to route as many as 10 interacting constituents through a river reach. (USGS)

  19. Percolation theory for solute transport in porous media: Geochemistry, geomorphology, and carbon cycling

    NASA Astrophysics Data System (ADS)

    Hunt, Allen G.; Ghanbarian, Behzad

    2016-09-01

    Understanding the time-dependent scaling of chemical weathering has been a significant research goal for over a decade. A percolation theoretical treatment of nonreactive solute transport that was previously shown compatible with the scaling of chemical weathering rates is here shown to be compatible with soil formation rates, and with C and N sequestration rates in the soil as well. In this theoretical framework, the percolation backbone fractal dimensionality, which generates the long-time tail of the solute arrival time distribution, also predicts the scaling of the reaction rates, while laboratory proportionality to the fluid flow velocity translates to an analogous relevance of the vertical infiltration rate in the field. The predicted proportionality of solute transport to net infiltration generates simultaneously the variability in soil formation rates across 4 orders of magnitude of precipitation and 12 orders of magnitude of time scales.

  20. Overlapping local/global iteration framework for whole-core transport solution

    SciTech Connect

    Cho, N. Z.; Yuk, S.; Yoo, H. J.; Yun, S.

    2012-07-01

    In current practice of reactor design analysis, whole-core diffusion nodal method is used in which nodal parameters are provided by single-assembly lattice physics calculation with net current zero boundary condition. Thus, the whole-core solution is not transport, because the inter-assembly transport effect is not incorporated. In this paper, the overlapping local/global iteration framework is described that removes the limitation of the current method. It consists of two-level iterative computations: half-node overlapping local problems embedded in a global problem. The local problem can employ fine-group deterministic or continuous-energy stochastic (Monte Carlo) transport methods, while the global problem is an equivalent coarse-group transport model based on p-CMFD methodology. The method is tested on several highly heterogeneous multi-slab problems with encouraging results. (authors)

  1. DIRECT COMPARISON OF KINETIC AND LOCAL EQUILIBRIUM FORMULATIONS FOR SOLUTE TRANSPORT AFFECTED BY SURFACE REACTIONS.

    USGS Publications Warehouse

    Bahr, Jean M.; Rubin, Jacob

    1987-01-01

    Modeling transport of reacting solutes in porous media often requires a choice between models based on the local equilibrium assumption (LEA) and models involving reaction kinetics. Direct comparison of the mathematical formulations for these two types of transport models can aid in this choice. For cases of transport affected by surface reaction, such a comparison is made possible by a new derivation procedure. This procedure yields a kinetics-based formulation that is the sum of the LEA formulation and one or more kinetically influenced terms. The dimensionless form of the new kinetics-based formulation facilitates identification of critical parameter groupings which control the approach to transport behavior consistent with LEA model predictions. Results of numerical experiments demonstrate that criteria for LEA applicability can be expressed conveniently in terms of these parameter groupings. The derivation procedure is demonstrated for examples of surface reactions including first-order reversible sorption, Langmuir-type kinetics and binary, homovalent ion exchange.

  2. Solute transport modelling in a coupled water and heat flow system applied to cold regions hydrogeology

    NASA Astrophysics Data System (ADS)

    Frampton, Andrew; Destouni, Georgia

    2016-04-01

    In cold regions, flow in the unsaturated zone is highly dynamic with seasonal variability and changes in temperature, moisture, and heat and water fluxes, all of which affect ground freeze-thaw processes and influence transport of inert and reactive waterborne substances. In arctic permafrost environments, near-surface groundwater flow is further restricted to a relatively shallow and seasonally variable active layer, confined by perennially frozen ground below. The active layer is typically partially saturated with ice, liquid water and air, and is strongly dependent on seasonal temperature fluctuations, thermal forcing and infiltration patterns. Here there is a need for improved understanding of the mechanisms controlling subsurface solute transport in the partially saturated active layer zone. Studying solute transport in cold regions is relevant to improve the understanding of how natural and anthropogenic pollution may change as activities in arctic and sub-arctic regions increase. It is also particularly relevant for understanding how dissolved carbon is transported in coupled surface and subsurface hydrological systems under climate change, in order to better understand the permafrost-hydrological-carbon climate feedback. In this contribution subsurface solute transport under surface warming and degrading permafrost conditions is studied using a physically based model of coupled cryotic and hydrogeological flow processes combined with a particle tracking method. Changes in subsurface water flows and solute transport travel times are analysed for different modelled geological configurations during a 100-year warming period. Results show that for all simulated cases, the minimum and mean travel times increase non-linearly with warming irrespective of geological configuration and heterogeneity structure. The travel time changes are shown to depend on combined warming effects of increase in pathway length due to deepening of the active layer, reduced transport

  3. Control and optimization of solute transport in a thin porous tube

    NASA Astrophysics Data System (ADS)

    Griffiths, I. M.; Howell, P. D.; Shipley, R. J.

    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.

  4. Subsurface solute transport with one-, two-, and three-dimensional arbitrary shape sources

    NASA Astrophysics Data System (ADS)

    Chen, Kewei; Zhan, Hongbin; Zhou, Renjie

    2016-07-01

    Solutions with one-, two-, and three-dimensional arbitrary shape source geometries will be very helpful tools for investigating a variety of contaminant transport problems in the geological media. This study proposed a general method to develop new solutions for solute transport in a saturated, homogeneous aquifer (confined or unconfined) with a constant, unilateral groundwater flow velocity. Several typical source geometries, such as arbitrary line sources, vertical and horizontal patch sources, circular and volumetric sources, were considered. The sources can sit on the upper or lower aquifer boundary to simulate light non-aqueous-phase-liquids (LNAPLs) or dense non-aqueous-phase-liquids (DNAPLs), respectively, or can be located anywhere inside the aquifer. The developed new solutions were tested against previous benchmark solutions under special circumstances and were shown to be robust and accurate. Such solutions can also be used as a starting point for the inverse problem of source zone and source geometry identification in the future. The following findings can be obtained from analyzing the solutions. The source geometry, including shape and orientation, generally played an important role for the concentration profile through the entire transport process. When comparing the inclined line sources with the horizontal line sources, the concentration contours expanded considerably along the vertical direction, and shrank considerably along the groundwater flow direction. A planar source sitting on the upper aquifer boundary (such as a LNAPL pool) would lead to significantly different concentration profiles compared to a planar source positioned in a vertical plane perpendicular to the flow direction. For a volumetric source, its dimension along the groundwater flow direction became less important compared to its other two dimensions.

  5. Laboratory experiments on solute transport in bimodal porous media under cyclic precipitation-evaporation boundary conditions

    NASA Astrophysics Data System (ADS)

    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

  6. Transport of bromide and pesticides through an undisturbed soil column: a modeling study with global optimization analysis.

    PubMed

    Dusek, Jaromir; Dohnal, Michal; Snehota, Michal; Sobotkova, Martina; Ray, Chittaranjan; Vogel, Tomas

    2015-01-01

    The fate of pesticides in tropical soils is still not understood as well as it is for soils in temperate regions. In this study, water flow and transport of bromide tracer and five pesticides (atrazine, imazaquin, sulfometuron methyl, S-metolachlor, and imidacloprid) through an undisturbed soil column of tropical Oxisol were analyzed using a one-dimensional numerical model. The numerical model is based on Richards' equation for solving water flow, and the advection-dispersion equation for solving solute transport. Data from a laboratory column leaching experiment were used in the uncertainty analysis using a global optimization methodology to evaluate the model's sensitivity to transport parameters. All pesticides were found to be relatively mobile (sorption distribution coefficients lower than 2 cm(3) g(-1)). Experimental data indicated significant non-conservative behavior of bromide tracer. All pesticides, with the exception of imidacloprid, were found less persistent (degradation half-lives smaller than 45 days). Three of the five pesticides (atrazine, sulfometuron methyl, and S-metolachlor) were better described by the linear kinetic sorption model, while the breakthrough curves of imazaquin and imidacloprid were more appropriately approximated using nonlinear instantaneous sorption. Sensitivity analysis suggested that the model is most sensitive to sorption distribution coefficient. The prediction limits contained most of the measured points of the experimental breakthrough curves, indicating adequate model concept and model structure for the description of transport processes in the soil column under study. Uncertainty analysis using a physically-based Monte Carlo modeling of pesticide fate and transport provides useful information for the evaluation of chemical leaching in Hawaii soils.

  7. Transport of bromide and pesticides through an undisturbed soil column: A modeling study with global optimization analysis

    NASA Astrophysics Data System (ADS)

    Dusek, Jaromir; Dohnal, Michal; Snehota, Michal; Sobotkova, Martina; Ray, Chittaranjan; Vogel, Tomas

    2015-04-01

    The fate of pesticides in tropical soils is still not understood as well as it is for soils in temperate regions. In this study, water flow and transport of bromide tracer and five pesticides (atrazine, imazaquin, sulfometuron methyl, S-metolachlor, and imidacloprid) through an undisturbed soil column of tropical Oxisol were analyzed using a one-dimensional numerical model. The numerical model is based on Richards' equation for solving water flow, and the advection-dispersion equation for solving solute transport. Data from a laboratory column leaching experiment were used in the uncertainty analysis using a global optimization methodology to evaluate the model's sensitivity to transport parameters. All pesticides were found to be relatively mobile (sorption distribution coefficients lower than 2 cm3 g- 1). Experimental data indicated significant non-conservative behavior of bromide tracer. All pesticides, with the exception of imidacloprid, were found less persistent (degradation half-lives smaller than 45 days). Three of the five pesticides (atrazine, sulfometuron methyl, and S-metolachlor) were better described by the linear kinetic sorption model, while the breakthrough curves of imazaquin and imidacloprid were more appropriately approximated using nonlinear instantaneous sorption. Sensitivity analysis suggested that the model is most sensitive to sorption distribution coefficient. The prediction limits contained most of the measured points of the experimental breakthrough curves, indicating adequate model concept and model structure for the description of transport processes in the soil column under study. Uncertainty analysis using a physically-based Monte Carlo modeling of pesticide fate and transport provides useful information for the evaluation of chemical leaching in Hawaii soils.

  8. Solute transport on the sub 100 ms scale across the lipid bilayer membrane of individual proteoliposomes.

    PubMed

    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 (<10 ms) the 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.

  9. The adjoint neutron transport equation and the statistical approach for its solution

    NASA Astrophysics Data System (ADS)

    Saracco, P.; Dulla, S.; Ravetto, P.

    2016-11-01

    The adjoint equation was introduced in the early days of neutron transport and its solution, the neutron importance, has been used for several applications in neutronics. The work presents at first a critical review of the adjoint neutron transport equation. Afterwards, the adjont model is constructed for a reference physical situation, for which an analytical approach is viable, i.e. an infinite homogeneous scattering medium. This problem leads to an equation that is the adjoint of the slowing-down equation, which is well known in nuclear reactor physics. A general closed-form analytical solution to such adjoint equation is obtained by a procedure that can be used also to derive the classical Placzek functions. This solution constitutes a benchmark for any statistical or numerical approach to the adjoint equation. A sampling technique to evaluate the adjoint flux for the transport equation is then proposed and physically interpreted as a transport model for pseudo-particles. This can be done by introducing appropriate kernels describing the transfer of the pseudo-particles in the phase space. This technique allows estimating the importance function by a standard Monte Carlo approach. The sampling scheme is validated by comparison with the analytical results previously obtained.

  10. Sediment and solute transport in a mountainous watershed in Valle del Cauca, Colombia

    NASA Astrophysics Data System (ADS)

    Guzman, C. D.; Castro, A.; Morales, A.; Hoyos, F.; Moreno, P.; Steenhuis, T. S.

    2014-12-01

    A main goal of this study was to improve prediction of sediment and solute transport using soil surface and soil nutrient changes, based on field measurements, within small watersheds receiving conservation measures. Sediment samples and solute concentrations were measured from two streams in the southwestern region of the Colombian Andes. Two modeling approaches for stream discharge and sediment transport predicted were used with one of these being used for nutrient transport prediction. 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. Lateral transects in the upper, middle, and lower part of the hillsides in the Aguaclara watershed of the Rio Bolo watershed network showed differences in soil nutrient status and soil surface depth changes. The model based on semi-distributed hydrology was able to reproduce discharge and sediment transport rates as well as the initially used model indicating available options for comparison of conservation changes in the future.

  11. Hydrodynamics of steady state phloem transport with radial leakage of solute

    PubMed Central

    Cabrita, Paulo; Thorpe, Michael; Huber, Gregor

    2013-01-01

    Long-distance phloem transport occurs under a pressure gradient generated by the osmotic exchange of water associated with solute exchange in source and sink regions. But these exchanges also occur along the pathway, and yet their physiological role has almost been ignored in mathematical models of phloem transport. Here we present a steady state model for transport phloem which allows solute leakage, based on the Navier-Stokes and convection-diffusion equations which describe fluid motion rigorously. Sieve tube membrane permeability Ps for passive solute exchange (and correspondingly, membrane reflection coefficient) influenced model results strongly, and had to lie in the bottom range of the values reported for plant cells for the results to be realistic. This smaller permeability reflects the efficient specialization of sieve tube elements, minimizing any diffusive solute loss favored by the large concentration difference across the sieve tube membrane. We also found there can be a specific reflection coefficient for which pressure profiles and sap velocities can both be similar to those predicted by the Hagen-Poiseuille equation for a completely impermeable tube. PMID:24409189

  12. Unsteady solute-transport simulation in streamflow using a finite-difference model

    USGS Publications Warehouse

    Land, Larry F.

    1978-01-01

    This report documents a rather simple, general purpose, one-dimensional, one-parameter, mass-transport model for field use. The model assumes a well-mixed conservative solute that may be coming from an unsteady source and is moving in unsteady streamflow. The quantity of solute being transported is in the units of concentration. Results are reported as such. An implicit finite-difference technique is used to solve the mass transport equation. It consists of creating a tridiagonal matrix and using the Thomas algorithm to solve the matrix for the unknown concentrations at the new time step. The computer program pesented is designed to compute the concentration of a water-quality constituent at any point and at any preselected time in a one-dimensional stream. The model is driven by the inflowing concentration of solute at the upstream boundary and is influenced by the solute entering the stream from tributaries and lateral ground-water inflow and from a source or sink. (Woodard-USGS)

  13. Solute transport model for trace organic neutral and charged compounds through nanofiltration and reverse osmosis membranes.

    PubMed

    Kim, Tae-Uk; Drewes, Jörg E; Scott Summers, R; Amy, Gary L

    2007-09-01

    Rejection of trace organic compounds, including disinfection by-products (DBPs) and pharmaceutical active compounds (PhACs), by high-pressure membranes has become a focus of public interest internationally in both drinking water treatment and wastewater reclamation/reuse. The ability to simulate, or even predict, the rejection of these compounds by high-pressure membranes, encompassing nanofiltration (NF) and reverse osmosis (RO), will improve process economics and expand membrane applications. The objective of this research is to develop a membrane transport model to account for diffusive and convective contributions to solute transport and rejection. After completion of cross-flow tests and diffusion cell tests with target compounds, modeling efforts were performed in accordance with a non-equilibrium thermodynamic transport equation. Comparing the percentages of convection and diffusion contributions to transport, convection is dominant for most compounds, but diffusion is important for more hydrophobic non-polar compounds. Convection is also more dominant for looser membranes (i.e., NF). In addition, higher initial compound concentrations and greater J(0)/k ratios contribute to solute fluxes more dominated by convection. Given the treatment objective of compound rejection, compound transport and rejection trends are inversely related.

  14. CFEST Coupled Flow, Energy & Solute Transport Version CFEST005 User’s Guide

    SciTech Connect

    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.

  15. Mathematical Model Formulation And Validation Of Water And Solute Transport In Whole Hamster Pancreatic Islets

    PubMed Central

    Benson, Charles T.; Critser, John K.

    2014-01-01

    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 ± S.D.). 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. PMID:24950195

  16. Investigation of flow and solute transport at the field scale through heterogeneous deformable porous media

    NASA Astrophysics Data System (ADS)

    Chang, Ching-Min; Yeh, Hund-Der

    2016-09-01

    This work describes an investigation of the spatial statistical structure of specific discharge field and solute transport process of a nonreactive solute at the field scale through a heterogeneous deformable porous medium. The flow field is driven by a vertical gradient in the excess pore water pressure induced by a step increase in load applied on the upper part of a finite-thickness aquifer. The non-stationary spectral representation is adopted to characterize the spatial covariance of the specific discharge field necessary for the development of the solute particle trajectory statistics using the Lagrangian formalism. We show that the statistics of the specific discharge and particle trajectory derived herein are non-stationary and functions of the coefficient of soil compressibility, μ. The effect of μ on the relative variation of specific discharge and the solute particle trajectory statistics are analyzed upon evaluating our expressions.

  17. Intragranular diffusion: An important mechanism influencing solute transport in clastic aquifers?

    USGS Publications Warehouse

    Wood, W.W.; Kraemer, T.F.; Hearn, P.P.

    1990-01-01

    Quantification of intragranular porosity in sand-size material from an aquifer on Cape Cod, Massachusetts, by scanning electron microscopy, mercury injection, and epifluorescence techniques shows that there are more reaction sites and that porosity is greater that indicated by standard short-term laboratory tests and measurement techniques. Results from laboratory and field tracer tests show solute nonequilibrium for a reacting ion consistent with a model of diffusion into, and exchange within, grain interiors. These data indicate that a diffusion expression needs to be included in transport codes, particularly for simulation of the transport of radioactive and toxic wastes.

  18. Relations between macropore network characteristics and the degree of preferential solute transport

    NASA Astrophysics Data System (ADS)

    Larsbo, M.; Koestel, J.; Jarvis, N.

    2014-12-01

    The characteristics of the soil macropore network determine the potential for fast transport of agrochemicals and contaminants through the soil. The objective of this study was to examine the relationships between macropore network characteristics, hydraulic properties and state variables and measures of preferential transport. Experiments were carried out under near-saturated conditions on undisturbed columns sampled from four agricultural topsoils of contrasting texture and structure. Macropore network characteristics were computed from 3-D X-ray tomography images of the soil pore system. Non-reactive solute transport experiments were carried out at five steady-state water flow rates from 2 to 12 mm h-1. The degree of preferential transport was evaluated by the normalised 5% solute arrival time and the apparent dispersivity calculated from the resulting breakthrough curves. Near-saturated hydraulic conductivities were measured on the same samples using a tension disc infiltrometer placed on top of the columns. Results showed that many of the macropore network characteristics were inter-correlated. For example, large macroporosities were associated with larger specific macropore surface areas and better local connectivity of the macropore network. Generally, an increased flow rate resulted in earlier solute breakthrough and a shifting of the arrival of peak concentration towards smaller drained volumes. Columns with smaller macroporosities, poorer local connectivity of the macropore network and smaller near-saturated hydraulic conductivities exhibited a greater degree of preferential transport. This can be explained by the fact that, with only two exceptions, global (i.e. sample scale) continuity of the macropore network was still preserved at low macroporosities. Thus, for any given flow rate, pores of larger diameter were actively conducting solute in soils of smaller near-saturated hydraulic conductivity. This was associated with larger local transport

  19. Ground-water flow and solute transport at a municipal landfill site on Long Island, New York; Part 3, Simulation of solute transport

    USGS Publications Warehouse

    Wexler, E.J.

    1988-01-01

    A solute transport model representing a 2.3-sq mi area surrounding and downgradient from a municipal landfill site in the Town of Brookhaven, N.Y. was used to simulate migration of a conservative solute (chloride) in the upper glacial aquifer. Aquifer values used in the model were: hydraulic conductivity, 200 ft/day; effective porosity, 0.30; longitudinal dispersivity, 100 ft; transverse dispersivity, 20 ft. Average concentration of chloride was set at 875.0 mg/L in leachate and 10 mg/L in recharge and in ambient groundwater. Entry of leachate into the aquifer was assumed to have begun in 1977. Chloride concentrations in the simulated plume after 6 years of travel matched reasonably well the chloride data collected in October-December 1982. After 12 years of travel, the simulated plume extended 6,200 ft and was 2,600 ft wide. Maximum predicted concentration at the site boundary was 160 mg/L. Additional simulations were made to test the model 's ability to predict the effect of several remedial strategies on the movement of solutes. These included capping the landfill with an impermeable surface, removal of contaminated groundwater through four recovery wells, and a combination of the first two actions. (USGS)

  20. Techniques for Increasing the Reliability of Estimates of Surface Water Transport Models

    NASA Astrophysics Data System (ADS)

    Boufadel, M. C.; Toran, L.; Gabriel, M.

    2002-05-01

    The Transient Storage Model (TSM) is widely used to simulate solute transport in stream settings. Within the TSM framework, solute transport is simulated using the advection dispersion equation in the main channel with additional mass transfer terms that represent the transverse exchange with surface water storage zones (dead zones) and the hyporheic zone (subsurface surrounding the stream). The TSM parameters are commonly treated as reach-averages, and they are estimated by fitting a theoretical to an experimental breakthrough curve. The parameters? values suffer from the problem of non-uniqueness whereby many combinations of parameters? values provide essentially the same fit. We explore various techniques for alleviating the problem of non-uniqueness. We use for this purpose stream-tracer studies that we conducted in a 190-m reach of Indian Creek, Philadelphia, Pennsylvania USA, where two stream-tracer studies were conducted and the concentration is monitored at two transects. We also conducted measurements of the cross section area at various transects and incorporated them into the objective function in a Bayesian parameter estimation framework. We found that using multiple stream tracer studies under various hydraulic conditions and/or the Bayesian framework alleviate the problem of non-uniqueness. We fitted the model to the data when the cross section area was treated as a distributed parameter while the other parameters were treated as reach-averages. While the fit was good, many reach-averaged parameters (exchange coefficient, dispersion coefficient) had to take to extreme values. This indicates that additional but incomplete geomorphic information does not necessarily improve the understanding of a particular stream system. The variation of the parameters with scale was also explored.

  1. Electroosmotic fluid motion and late-time solute transport at non-negligible zeta potentials

    SciTech Connect

    S. K. Griffiths; R. H. Nilson

    1999-12-01

    Analytical and numerical methods are employed to determine the electric potential, fluid velocity and late-time solute distribution for electroosmotic flow in a tube and channel when the zeta potential is not small. The electric potential and fluid velocity are in general obtained by numerical means. In addition, new analytical solutions are presented for the velocity in a tube and channel in the extremes of large and small Debye layer thickness. The electroosmotic fluid velocity is used to analyze late-time transport of a neutral non-reacting solute. Zeroth and first-order solutions describing axial variation of the solute concentration are determined analytically. The resulting expressions contain eigenvalues representing the dispersion and skewness of the axial concentration profiles. These eigenvalues and the functions describing transverse variation of the concentration field are determined numerically using a shooting technique. Results are presented for both tube and channel geometries over a wide range of the normalized Debye layer thickness and zeta potential. Simple analytical approximations to the eigenvalues are also provided for the limiting cases of large and small values of the Debye layer thickness. The methodology developed here for electroosmotic flow is also applied to the Taylor problem of late-time transport and dispersion in pressure-driven flows.

  2. Evaluation of bacteria-facilitated cadmium transport in gravel columns using the HYDRUS colloid-facilitated solute transport model

    NASA Astrophysics Data System (ADS)

    Pang, Liping; Å Imå¯Nek, Jirka

    2006-12-01

    The colloid-facilitated solute transport model, based on HYDRUS-1D, was evaluated using the column experimental data of Pang et al. (2005) for cadmium (Cd) transport facilitated by B. subtilis spores or E. coli in saturated coarse alluvial gravels. We simulated Cd transport involving convection, dispersion, kinetic adsorption/desorption to/from the aquifer media and to/from mobile/immobile bacteria, and kinetic attachment/detachment of the bacteria to/from the aquifer media. To reduce the number of parameters to be optimized, we independently estimated Cd sorption/desorption rates to mobile bacteria from a batch study. The model described the collected experimental data reasonably well. Extensive sensitivity analysis to various reaction parameters was carried out to obtain an understanding of the relative importance of individual model parameters on model predictions. Our modeling results suggest that the rates of Cd sorption or desorption differ not only between different bacterial species but also between unattached and deposited bacteria. The results of the sensitivity analysis indicated that the Cd sorption rate to unattached bacteria had a significantly greater impact on the model results than its sorption rate to deposited bacteria. For the experimental system investigated here, model results were most sensitive to parameters describing interactions between Cd-aquifer media, bacteria-aquifer media, and Cd-mobile bacteria, and they were less sensitive to interactions between Cd-immobile bacteria and desorption rate from mobile bacteria.

  3. Size-dependent control of colloid transport via solute gradients in dead-end channels

    PubMed Central

    Shin, Sangwoo; Um, Eujin; Sabass, Benedikt; Ault, Jesse T.; Rahimi, Mohammad; Warren, Patrick B.; Stone, Howard A.

    2016-01-01

    Transport of colloids in dead-end channels is involved in widespread applications including drug delivery and underground oil and gas recovery. In such geometries, Brownian motion may be considered as the sole mechanism that enables transport of colloidal particles into or out of the channels, but it is, unfortunately, an extremely inefficient transport mechanism for microscale particles. Here, we explore the possibility of diffusiophoresis as a means to control the colloid transport in dead-end channels by introducing a solute gradient. We demonstrate that the transport of colloidal particles into the dead-end channels can be either enhanced or completely prevented via diffusiophoresis. In addition, we show that size-dependent diffusiophoretic transport of particles can be achieved by considering a finite Debye layer thickness effect, which is commonly ignored. A combination of diffusiophoresis and Brownian motion leads to a strong size-dependent focusing effect such that the larger particles tend to concentrate more and reside deeper in the channel. Our findings have implications for all manners of controlled release processes, especially for site-specific delivery systems where localized targeting of particles with minimal dispersion to the nontarget area is essential. PMID:26715753

  4. Influence of a Rhamnolipid Biosurfactant on the Transport of Bacteria through a Sandy Soil

    PubMed Central

    Bai, G.; Brusseau, M. L.; Miller, R. M.

    1997-01-01

    The objective of this study was to investigate the influence of an anionic rhamnolipid biosurfactant on the transport of bacterial cells through soil under saturated conditions. Three cell types with various hydrophobicities, i.e., Pseudomonas aeruginosa ATCC 9027, ATCC 27853, and ATCC 15442, were used in this study. In a series of experiments, columns packed with sterile sand were saturated with sterile artificial groundwater for 15 h, and then 3 pore volumes of (sup3)H-labeled bacterial suspensions with various rhamnolipid concentrations was pumped through the column. This was followed by 4 pore volumes of the rhamnolipid solution alone. The measured bacterial cell breakthrough curves were optimized by using an advection-dispersion transport model incorporating two-domain reversible sorption (instantaneous and rate limited) and with two first-order sink terms for irreversible adsorption. The influence of the rhamnolipid on the surface charge densities of the bacteria and the porous medium was also investigated. The results show that the rhamnolipid enhanced the transport of all cell types tested. For example, the rhamnolipid increased the recovery of the most hydrophilic strain, ATCC 9027, from 22.5 to 56.3%. Similarly, the recovery of ATCC 27853 increased from 36.8 to 49.4%, and the recovery of ATCC 15442, the most hydrophobic strain, increased from 17.7 to 40.5% in the presence of the rhamnolipid. The negative surface charge density of the porous medium was increased, while the surface charge density of the bacteria was not changed in the presence of the rhamnolipid. The model results suggest that the rhamnolipid predominantly affected irreversible adsorption of cells. PMID:16535601

  5. Eigen decomposition solution to the one-dimensional time-dependent photon transport equation.

    PubMed

    Handapangoda, Chintha C; Pathirana, Pubudu N; Premaratne, Malin

    2011-02-14

    The time-dependent one-dimensional photon transport (radiative transfer) equation is widely used to model light propagation through turbid media with a slab geometry, in a vast number of disciplines. Several numerical and semi-analytical techniques are available to accurately solve this equation. In this work we propose a novel efficient solution technique based on eigen decomposition of the vectorized version of the photon transport equation. Using clever transformations, the four variable integro-differential equation is reduced to a set of first order ordinary differential equations using a combination of a spectral method and the discrete ordinates method. An eigen decomposition approach is then utilized to obtain the closed-form solution of this reduced set of ordinary differential equations.

  6. A two-constituent solute-transport model for ground water having variable density

    USGS Publications Warehouse

    Sanford, W.E.; Konikow, L.F.

    1985-01-01

    A numerical model has been developed to simulate solute transport and dispersion of either one or two constituents in groundwater where there is two-dimensional, density-dependent flow. The model is a modified version of the one documented by Konikow and Bredehoeft (1978), which uses finite-difference methods and the method of characteristics to solve the flow and transport equations. The model was tested on an idealized seawater intrusion problem for which an analytical solution has been developed. The results were nearly identical to those of other numerical models tested on the same problem. A description of the formats for the input data, a sample of input and output for a two-constituent example problem, and a listing of the Fortran program are presented. (Author 's abstract)

  7. Benchmark solutions for the galactic ion transport equations: Energy and spatially dependent problems

    NASA Technical Reports Server (NTRS)

    Ganapol, Barry D.; Townsend, Lawrence W.; Wilson, John W.

    1989-01-01

    Nontrivial benchmark solutions are developed for the galactic ion transport (GIT) equations in the straight-ahead approximation. These equations are used to predict potential radiation hazards in the upper atmosphere and in space. Two levels of difficulty are considered: (1) energy independent, and (2) spatially independent. The analysis emphasizes analytical methods never before applied to the GIT equations. Most of the representations derived have been numerically implemented and compared to more approximate calculations. Accurate ion fluxes are obtained (3 to 5 digits) for nontrivial sources. For monoenergetic beams, both accurate doses and fluxes are found. The benchmarks presented are useful in assessing the accuracy of transport algorithms designed to accommodate more complex radiation protection problems. In addition, these solutions can provide fast and accurate assessments of relatively simple shield configurations.

  8. Simulation of unsteady flow and solute transport in a tidal river network

    USGS Publications Warehouse

    Zhan, X.

    2003-01-01

    A mathematical model and numerical method for water flow and solute transport in a tidal river network is presented. The tidal river network is defined as a system of open channels of rivers with junctions and cross sections. As an example, the Pearl River in China is represented by a network of 104 channels, 62 nodes, and a total of 330 cross sections with 11 boundary section for one of the applications. The simulations are performed with a supercomputer for seven scenarios of water flow and/or solute transport in the Pearl River, China, with different hydrological and weather conditions. Comparisons with available data are shown. The intention of this study is to summarize previous works and to provide a useful tool for water environmental management in a tidal river network, particularly for the Pearl River, China.

  9. Solution of stochastic media transport problems using a numerical quadrature-based method

    SciTech Connect

    Pautz, S. D.; Franke, B. C.; Prinja, A. K.; Olson, A. J.

    2013-07-01

    We present a new conceptual framework for analyzing transport problems in random media. We decompose such problems into stratified subproblems according to the number of material pseudo-interfaces within realizations. For a given subproblem we assign pseudo-interface locations in each realization according to product quadrature rules, which allows us to deterministically generate a fixed number of realizations. Quadrature integration of the solutions of these realizations thus approximately solves each subproblem; the weighted superposition of solutions of the subproblems approximately solves the general stochastic media transport problem. We revisit some benchmark problems to determine the accuracy and efficiency of this approach in comparison to randomly generated realizations. We find that this method is very accurate and fast when the number of pseudo-interfaces in a problem is generally low, but that these advantages quickly degrade as the number of pseudo-interfaces increases. (authors)

  10. Benchmark solutions for the galactic heavy-ion transport equations with energy and spatial coupling

    NASA Technical Reports Server (NTRS)

    Ganapol, Barry D.; Townsend, Lawrence W.; Lamkin, Stanley L.; Wilson, John W.

    1991-01-01

    Nontrivial benchmark solutions are developed for the galactic heavy ion transport equations in the straightahead approximation with energy and spatial coupling. Analytical representations of the ion fluxes are obtained for a variety of sources with the assumption that the nuclear interaction parameters are energy independent. The method utilizes an analytical LaPlace transform inversion to yield a closed form representation that is computationally efficient. The flux profiles are then used to predict ion dose profiles, which are important for shield design studies.

  11. Exact and efficient solution of the radiative transport equation for the semi-infinite medium

    NASA Astrophysics Data System (ADS)

    Liemert, André; Kienle, Alwin

    2013-06-01

    An accurate and efficient solution of the radiative transport equation is proposed for modeling the propagation of photons in the three-dimensional anisotropically scattering half-space medium. The exact refractive index mismatched boundary condition is considered and arbitrary rotationally invariant scattering functions can be applied. The obtained equations are verified with Monte Carlo simulations in the steady-state, temporal frequency, and time domains resulting in an excellent agreement.

  12. Effects of Convective Solute and Impurity Transport in Protein Crystal Growth

    NASA Technical Reports Server (NTRS)

    Vekilov, Peter G.; Thomas, Bill R.; Rosenberger, Franz

    1998-01-01

    High-resolution optical interferometry was used to investigate the effects of forced solution convection on the crystal growth kinetics of the model protein lysozyme. Most experiments were conducted with 99.99% pure protein solutions. To study impurity effects, approx. 1% of lysozyme dimer (covalently bound) was added in some cases. We show that the unsteady kinetics, corresponding to bunching of growth steps, can be characterized by the Fourier components of time traces of the growth rate. Specific Fourier spectra are uniquely determined by the solution conditions (composition, temperature, and flow rate) and the growth layer source activity. We found that the average step velocity and growth rate increase by approx. I0% with increasing flow rate, as a result of the enhanced solute supply to the interface. More importantly, faster convective transport results in lower fluctuation amplitudes. This observation supports our rationale for system-dependent effects of transport on the structural perfection of protein crystals. We also found that solution flow rates greater than 500 microns/s result in stronger fluctuations while the average growth rate is decreased. This can lead to growth cessation at low supersaturations. With the intentionally contaminated solutions, these undesirable phenomena occurred at about half the flow rates required in pure solutions. Thus, we conclude that they are due to enhanced convective supply of impurities that are incorporated into the crystal during growth. Furthermore, we found that the impurity effects are reduced at higher crystal growth rates. Since the exposure time of terraces is inversely proportional to the growth rate, this observation suggests that the increased kinetics instability results from impurity adsorption on the interface. Finally, we provide evidence relating earlier observations of "slow protein crystal growth kinetics" to step bunch formation in response to nonsteady step generation.

  13. Molecular mechanism of ATP-dependent solute transport by multidrug resistance-associated protein 1.

    PubMed

    Chang, Xiu-bao

    2010-01-01

    Millions of new cancer patients are diagnosed each year and over half of these patients die from this devastating disease. Thus, cancer causes a major public health problem worldwide. Chemotherapy remains the principal mode to treat many metastatic cancers. However, occurrence of cellular multidrug resistance (MDR) prevents efficient killing of cancer cells, leading to chemotherapeutic treatment failure. Over-expression of ATP-binding cassette transporters, such as P-glycoprotein, breast cancer resistance protein and/or multidrug resistance-associated protein 1 (MRP1), confers an acquired MDR due to their capabilities of transporting a broad range of chemically diverse anticancer drugs across the cell membrane barrier. In this review, the molecular mechanism of ATP-dependent solute transport by MRP1 will be addressed.

  14. Effect of submerged vegetation on solute transport in an open channel using large eddy simulation

    NASA Astrophysics Data System (ADS)

    Lu, J.; Dai, HC

    2016-11-01

    Existence of vegetation plays a significant effect on the flow velocity distributions, turbulence structures and solute mixing in an open channel. This paper has implemented a 3D large eddy simulation model for the flow and scalar transport in the open channel with vegetation. The model can produce a typical turbulence characteristics and concentration distribution with vegetation. The scalar transport mechanism is quantitatively explained by the turbulent Schmidt number, Reynolds flux, coherent structures and quadrant conditional analysis. A dominance of ejection-sweeping events occurs in the process of the momentum and scalar flux transport. The spectral analysis is used to identify the Kelvin-Helmholtz frequency. The turbulence characteristics of the length scale of vortexes, Kelvin-Helmholtz frequency and Reynolds stress etc. are analyzed with the vegetation density. The model quantitatively predicts the trend of decreasing in the concentration distribution along the flow direction with the increasing of vegetation density.

  15. Exploring Solute Transport and Streamline Connectivity Using Two-point and Multipoint Simulation Methods

    NASA Astrophysics Data System (ADS)

    Klise, K. A.; McKenna, S. A.; Tidwell, V. C.; Lane, J. W.; Weissmann, G. S.; Wawrzyniec, T. F.; Nichols, E. M.

    2008-12-01

    Sequential indicator simulation is widely used to create lithofacies models based on the two-point correlation of the desired heterogeneous field. However, two-point correlation (i.e. the variogram) is not capable of preserving complex patterns such as connected curvilinear structures often noted in realistic geologic media. As an alternative, several multipoint simulation methods have been suggested to replicate structural patterns based on a training image. To understand the implications that two-point and multipoint methods have on predicting solute transport, rigorous tests are needed that use realistic aquifer analogs. For this study, we use high-resolution terrestrial lidar scans to identify sand and gravel lithofacies at the outcrop (meter) scale. The lithofacies map serves as the aquifer analog and is used as a training image. The use of two-point (sisim) and multipoint (filtersim and snesim) stochastic simulation methods are then compared based on the ability of the resulting simulations to replicate solute transport characteristics using the aquifer analog. Detailed particle tracking simulations are used to explore the streamline-based connectivity that is preserved using each method. Based on the three simulation methods tested here, filtersim, a multipoint method that replicates structural patterns seen in the aquifer analog, best predicts non- Fickian solute transport characteristics by matching the connectivity of facies along streamlines. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04- 94AL85000.

  16. Dual radiotracer measurement of zoobenthos-mediated solute and particle transport in freshwater sediments

    SciTech Connect

    Krezoski, J.R.; Robbins, J.A.; White, D.S.

    1984-09-01

    ..gamma.. spectroscopy methods have been applied to determine the effects of two freshwater benthic macroinvertebrates, on reworking of sediments and the transfer of solutes across the sediment-water interface. Natural lake sediments and overlying water were contained in temperature-regulated rectangular plastic cells. After addition of Stylodrilus (oligochaete worms) and Pontoporeia (crustacean amphipods) to these microcosms, the vertical distribution of Cs-137 (a tracer of particle transport) and Na-22 (a tracer of solute transport) were determined. In cells with Stylodrilus, the Cs-137 layer moved downward at a rate that decreased exponentially with time. In cells with Pontoporeia, Cs-137 activity was smeared downward in time owing to eddy diffusive mixing of sediments over a small range (1-2 cm). In cells without worms, the veneer of Cs active material remained at the interface while the penetration of Na-22 into sediments was consistent with diffusion in free solution with small corrections for sediment porosity and sorption. In cells with live Stylodrilus, penetration of Na-22 within the feeding zone was considerably more rapid. Advective transport arises from the incorporation of Na-22 into pore fluids moved downward as a result of conveyor-belt feeding. In cells with Pontoporeia, De is approximately twice that in control cells. In these cells, Na-22 profiles may be treated theoretically without advection. 47 references, 6 figures, 2 tables.

  17. Analytic solutions for colloid transport with time- and depth-dependent retention in porous media

    NASA Astrophysics Data System (ADS)

    Leij, Feike J.; Bradford, Scott A.; Sciortino, Antonella

    2016-12-01

    Elucidating and quantifying the transport of industrial nanoparticles (e.g. silver, carbon nanotubes, and graphene oxide) and other colloid-size particles such as viruses and bacteria is important to safeguard and manage the quality of the subsurface environment. Analytic solutions were derived for aqueous and solid phase colloid concentrations in a porous medium where colloids were subject to advective transport and reversible time and/or depth-dependent retention. Time-dependent blocking and ripening retention were described using a Langmuir-type equation with a rate coefficient that respectively decreased and increased linearly with the retained concentration. Depth-dependent retention was described using a rate coefficient that is a power-law function of distance. The stream tube modeling concept was employed to extend these analytic solutions to transport scenarios with two different partitioning processes (i.e., two types of retention sites). The sensitivity of concentrations was illustrated for the various time- and/or depth-dependent retention model parameters. The developed analytical models were subsequently used to describe breakthrough curves and, in some cases, retention profiles from several published column studies that employed nanoparticle or pathogenic microorganisms. Simulations results provided valuable insights on causes for many observed complexities associated with colloid transport and retention, including: increasing or decreasing effluent concentrations with continued colloid application, delayed breakthrough, low concentration tailing, and retention profiles that are hyper-exponential, exponential, linear, or non-monotonic with distance.

  18. Stochastic modeling of solute transport in aquifers: From heterogeneity characterization to risk analysis

    NASA Astrophysics Data System (ADS)

    Fiori, A.; Bellin, A.; Cvetkovic, V.; de Barros, F. P. J.; Dagan, G.

    2015-08-01

    The article presents a few recent developments advanced by the authors in a few key areas of stochastic modeling of solute transport in heterogeneous aquifers. First, a brief review of the Lagrangian approach to modeling plumes longitudinal mass distribution and temporal (the breakthrough curve) mass arrival, is presented. Subsequently, transport in highly heterogeneous aquifers is analyzed by using a recently developed predictive model. It relates the non-Gaussian BTC to the permeability univariate pdf and integral scale, with application to the MADE field observations. Next, the approach is extended to transport of reactive solute, combinnig the effects of the random velocity field and multirate mass transfer on the BTC, with application to mass attenuation. The following topic is modeling of the local concentration field as affected by mixing and dilution due to pore scale dispersion. The results are applied to the analysis of concentration measurements at the Cape Cod field experiment. The last section incorporates the results of the preceding ones in health risk assessment by analyzing the impact of concentration prediction on risk uncertainty. It is illustrated by assessing the effect of identification of macrodispersivity from field characterization and transport modeling, upon the probability of health risk.

  19. Anisotropic surface hole-transport property of triphenylamine-derivative single crystal prepared by solution method

    NASA Astrophysics Data System (ADS)

    Umeda, Minoru; Katagiri, Mitsuhiko; Shironita, Sayoko; Nagayama, Norio

    2016-12-01

    This paper reports the anisotropic hole transport at the triphenylamine-derivative single crystal surface prepared by a solution method. Triphenylamine derivatives are commonly used in a hole-transport material for organic photoconductors of laser-beam printers, in which the materials are used as an amorphous form. For developing organic photovoltaics using the photoconductor's technology, preparation of a single crystal seems to be a specific way by realizing the high mobility of an organic semiconductor. In this study, a single crystal of 4-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)-benzenamine (TPA) was prepared and its anisotropic hole-transport property measured. First, the hole-transport property of the TPA was investigated based on its chemical structure and electrochemical redox characteristics. Next, a large-scale single crystal formation at a high rate was developed by employing a solution method based on its solubility and supersolubility curves. The grown TPA was found to be a single crystal based on the polarization micrograph observation and crystallographic analysis. For the TPA single crystal, an anisotropic surface conduction was found, which was well explained by its molecular stack structure. The measured current in the long-axis direction is one order of magnitude greater than that of amorphous TPA.

  20. Application of multiphysics models to efficient design of experiments of solute transport across articular cartilage.

    PubMed

    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.

  1. Multiresponse modeling of variably saturated flow and isotope tracer transport for a hillslope experiment at the Landscape Evolution Observatory

    NASA Astrophysics Data System (ADS)

    Scudeler, Carlotta; Pangle, Luke; Pasetto, Damiano; Niu, Guo-Yue; Volkmann, Till; Paniconi, Claudio; Putti, Mario; Troch, Peter

    2016-10-01

    This paper explores the challenges of model parameterization and process representation when simulating multiple hydrologic responses from a highly controlled unsaturated flow and transport experiment with a physically based model. The experiment, conducted at the Landscape Evolution Observatory (LEO), involved alternate injections of water and deuterium-enriched water into an initially very dry hillslope. The multivariate observations included point measures of water content and tracer concentration in the soil, total storage within the hillslope, and integrated fluxes of water and tracer through the seepage face. The simulations were performed with a three-dimensional finite element model that solves the Richards and advection-dispersion equations. Integrated flow, integrated transport, distributed flow, and distributed transport responses were successively analyzed, with parameterization choices at each step supported by standard model performance metrics. In the first steps of our analysis, where seepage face flow, water storage, and average concentration at the seepage face were the target responses, an adequate match between measured and simulated variables was obtained using a simple parameterization consistent with that from a prior flow-only experiment at LEO. When passing to the distributed responses, it was necessary to introduce complexity to additional soil hydraulic parameters to obtain an adequate match for the point-scale flow response. This also improved the match against point measures of tracer concentration, although model performance here was considerably poorer. This suggests that still greater complexity is needed in the model parameterization, or that there may be gaps in process representation for simulating solute transport phenomena in very dry soils.

  2. The Method of Manufactured Solutions for RattleSnake A SN Radiation Transport Solver Inside the MOOSE Framework

    SciTech Connect

    Yaqi Wang

    2012-06-01

    The Method of Manufactured Solutions (MMS) is an accepted technique to verify that a numerical discretization for the radiation transport equation has been implemented correctly. This technique offers a few advantages over other methods such as benchmark problems or analytical solutions. The solution can be manufactured such that properties for the angular flux are either stressed or preserved. For radiation transport, these properties can include desired smoothness, positiveness and arbitrary order of anisotropy in angle. Another advantage is that the angular flux solution can be manufactured for multidimensional problems where analytical solutions are difficult to obtain in general.

  3. Effects of reservoir heterogeneity on scaling of effective mass transfer coefficient for solute transport.

    PubMed

    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

  4. Effects of reservoir heterogeneity on scaling of effective mass transfer coefficient for solute transport

    NASA Astrophysics Data System (ADS)

    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

  5. The study of latent heat transport characteristics by solid particles and saccharide solution mixtures

    NASA Astrophysics Data System (ADS)

    Morita, Shin-ichi; Hayamizu, Yasutaka; Inaba, Hideo

    2011-06-01

    The purpose of this study is the development of latent heat transport system by using the mixture of the minute latent heat storage materials and the saccharine solution as medium. The experimental studies are carried out by the evaluation of viscosity and pressure loss in a pipe. Polyethylene (P.E.) is selected as the dispersed minute material that has closeness density (920kg/m3) of ice (917kg/m3). D-sorbitol and D-xylose solutions are picked as continuum phase of the test mixture. The concentration of D-sorbitol solution is set 48mass% from measured results of saturation solubility and the melting point. 40mass% solution of D-xylose is selected as the other test continuum phase. The non-ion surfactant, EA157 Dai-ichiseiyaku CO. Ltd, is used in order to prevent of dispersed P.E. powder cohere. The pressure loss of test mixture is measured by the straight circular pipe that has smooth inner surface. The measuring length for pressure loss is 1000 mm, and the inner diameter of pipe is 15mm. The accuracy of experiment apparatus for measuring pressure loss is within ±5%. The pressure loss data is estimated by the relationship between the heat transport ratio and the required pump power. It is clarified that the optimum range of mixing ratio exists over 10mass% of latent heat storage material.

  6. Catchment travel and residence time distributions: a theoretical framework for solute transport modeling

    NASA Astrophysics Data System (ADS)

    Botter, G.; Bertuzzo, E.; Rinaldo, A.

    2011-12-01

    The probability density functions (pdf's) of travel and residence times are key descriptors of the mechanisms through which catchments retain and release old and event water, transporting solutes to receiving water bodies. In this contribution we derive a general stochastic framework applicable to arbitrary catchment control volumes, where time-variable precipitation, evapotranspiration and discharge are assumed to be the major hydrological drivers for water and solutes. A master equation for the residence time pdf is derived and solved analytically, providing expressions for travel and residence time pdf's as a function of input/output fluxes and of the relevant mixing processes occurring along streamflow production and plant upatke. Our solutions suggest intrinsically time variant travel and residence time pdf's through a direct dependence on the underlying hydrological forcings and soil vegetation dynamics. The proposed framework highlights the dependence of water/solute travel times on eco-hydrological processes (especially transpiration and uptake), and integrates age-dating and tracer hydrology techniques by providing a coherent framework for catchment transport models. An application to the release of pesticides from an agricultural watershead is also discussed.

  7. Thermal transport properties of halide solid solutions: Experiments vs equilibrium molecular dynamics

    NASA Astrophysics Data System (ADS)

    Gheribi, Aïmen E.; Salanne, Mathieu; Chartrand, Patrice

    2015-03-01

    The composition dependence of thermal transport properties of the (Na,K)Cl rocksalt solid solution is investigated through equilibrium molecular dynamics (EMD) simulations in the entire range of composition and the results are compared with experiments published in recent work [Gheribi et al., J. Chem. phys. 141, 104508 (2014)]. The thermal diffusivity of the (Na,K)Cl solid solution has been measured from 473 K to 823 K using the laser flash technique, and the thermal conductivity was deduced from critically assessed data of heat capacity and density. The thermal conductivity was also predicted at 900 K in the entire range of composition by a series of EMD simulations in both NPT and NVT statistical ensembles using the Green-Kubo theory. The aim of the present paper is to provide an objective analysis of the capability of EMD simulations in predicting the composition dependence of the thermal transport properties of halide solid solutions. According to the Klemens-Callaway [P. G. Klemens, Phys. Rev. 119, 507 (1960) and J. Callaway and H. C. von Bayer, Phys. Rev. 120, 1149 (1960)] theory, the thermal conductivity degradation of the solid solution is explained by mass and strain field fluctuations upon the phonon scattering cross section. A rigorous analysis of the consistency between the theoretical approach and the EMD simulations is discussed in detail.

  8. Thermal transport properties of halide solid solutions: Experiments vs equilibrium molecular dynamics

    SciTech Connect

    Gheribi, Aïmen E. Chartrand, Patrice; Salanne, Mathieu

    2015-03-28

    The composition dependence of thermal transport properties of the (Na,K)Cl rocksalt solid solution is investigated through equilibrium molecular dynamics (EMD) simulations in the entire range of composition and the results are compared with experiments published in recent work [Gheribi et al., J. Chem. phys. 141, 104508 (2014)]. The thermal diffusivity of the (Na,K)Cl solid solution has been measured from 473 K to 823 K using the laser flash technique, and the thermal conductivity was deduced from critically assessed data of heat capacity and density. The thermal conductivity was also predicted at 900 K in the entire range of composition by a series of EMD simulations in both NPT and NVT statistical ensembles using the Green-Kubo theory. The aim of the present paper is to provide an objective analysis of the capability of EMD simulations in predicting the composition dependence of the thermal transport properties of halide solid solutions. According to the Klemens-Callaway [P. G. Klemens, Phys. Rev. 119, 507 (1960) and J. Callaway and H. C. von Bayer, Phys. Rev. 120, 1149 (1960)] theory, the thermal conductivity degradation of the solid solution is explained by mass and strain field fluctuations upon the phonon scattering cross section. A rigorous analysis of the consistency between the theoretical approach and the EMD simulations is discussed in detail.

  9. SEAWAT Version 4: A Computer Program for Simulation of Multi-Species Solute and Heat Transport

    USGS Publications Warehouse

    Langevin, Christian D.; Thorne, Daniel T.; Dausman, Alyssa M.; Sukop, Michael C.; Guo, Weixing

    2008-01-01

    The SEAWAT program is a coupled version of MODFLOW and MT3DMS designed to simulate three-dimensional, variable-density, saturated ground-water flow. Flexible equations were added to the program to allow fluid density to be calculated as a function of one or more MT3DMS species. Fluid density may also be calculated as a function of fluid pressure. The effect of fluid viscosity variations on ground-water flow was included as an option. Fluid viscosity can be calculated as a function of one or more MT3DMS species, and the program includes additional functions for representing the dependence on temperature. Although MT3DMS and SEAWAT are not explicitly designed to simulate heat transport, temperature can be simulated as one of the species by entering appropriate transport coefficients. For example, the process of heat conduction is mathematically analogous to Fickian diffusion. Heat conduction can be represented in SEAWAT by assigning a thermal diffusivity for the temperature species (instead of a molecular diffusion coefficient for a solute species). Heat exchange with the solid matrix can be treated in a similar manner by using the mathematically equivalent process of solute sorption. By combining flexible equations for fluid density and viscosity with multi-species transport, SEAWAT Version 4 represents variable-density ground-water flow coupled with multi-species solute and heat transport. SEAWAT Version 4 is based on MODFLOW-2000 and MT3DMS and retains all of the functionality of SEAWAT-2000. SEAWAT Version 4 also supports new simulation options for coupling flow and transport, and for representing constant-head boundaries. In previous versions of SEAWAT, the flow equation was solved for every transport timestep, regardless of whether or not there was a large change in fluid density. A new option was implemented in SEAWAT Version 4 that allows users to control how often the flow field is updated. New options were also implemented for representing constant

  10. Upscaling of Solute Transport in Heterogeneous Media with Non-uniform Flow and Dispersion Fields

    SciTech Connect

    Xu, Zhijie; Meakin, Paul

    2013-10-01

    An analytical and computational model for non-reactive solute transport in periodic heterogeneous media with arbitrary non-uniform flow and dispersion fields within the unit cell of length ε is described. The model lumps the effect of non-uniform flow and dispersion into an effective advection velocity Ve and an effective dispersion coefficient De. It is shown that both Ve and De are scale-dependent (dependent on the length scale of the microscopic heterogeneity, ε), dependent on the Péclet number Pe, and on a dimensionless parameter α that represents the effects of microscopic heterogeneity. The parameter α, confined to the range of [-0.5, 0.5] for the numerical example presented, depends on the flow direction and non-uniform flow and dispersion fields. Effective advection velocity Ve and dispersion coefficient De can be derived for any given flow and dispersion fields, and . Homogenized solutions describing the macroscopic variations can be obtained from the effective model. Solutions with sub-unit-cell accuracy can be constructed by homogenized solutions and its spatial derivatives. A numerical implementation of the model compared with direct numerical solutions using a fine grid, demonstrated that the new method was in good agreement with direct solutions, but with significant computational savings.

  11. Intercomparison of 3D pore-scale flow and solute transport simulation methods

    DOE PAGES

    Yang, Xiaofan; Mehmani, Yashar; Perkins, William A.; ...

    2015-09-28

    In this study, multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include (1) methods that explicitly model the three-dimensional geometry of pore spaces and (2) methods that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of the first type, using computational fluid dynamics (CFD) codes employing a standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of the firstmore » type based on the lattice Boltzmann method (LBM) and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (FVM-based CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and (for capable codes) nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The intercomparison work was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This study provides

  12. Evidence For Diffusion Dominant Solute Transport In The Ordovician Sediments Of The Michigan Basin

    NASA Astrophysics Data System (ADS)

    Sykes, J. F.; Normani, S. D.; Yin, Y.

    2011-12-01

    A Deep Geologic Repository (DGR) for Low and Intermediate Level Radioactive Waste has been proposed by Ontario Power Generation for the Bruce site near Tiverton, Ontario, 225 km northwest of Toronto. The DGR concept envisions a repository excavated at a depth of 680 m within the low permeability (less than 10e-14 m/s) limestone Cobourg Formation beneath 200 m of Ordovician age shale. The attributes of the hydrogeologic environment for the DGR, and the potential for solute transport from a repository, were assessed using numerical models for hypothesis testing and numerical experiments. Data for the analyses included Westbay pressure measurements from the DGR site investigation boreholes. These data indicate that the Cambrian sandstone and the Niagaran Group in the Silurian are over-pressured relative to density corrected hydrostatic levels while the Ordovician limestone and shale are significantly under-pressured. The abnormal pressures provide evidence that solute transport in the low permeable Ordovician sediments is diffusion dominant. Sedimentary basins, when at hydrological equilibrium, normally show a near-hydrostatic pressure distribution. Under certain conditions, some excess pressure or pressure greater than hydrostatic can develop in low-permeability layers or other hydraulically isolated parts of systems. The processes commonly invoked to explain these over-pressures are compaction, hydrocarbon migration, diagenesis, tectonic stress or more simply topographic effects. Explanations of abnormal under-pressures include osmosis, exhumation, glaciation unloading, crustal flexure and the presence of a non-wetting gas phase in pores. A requirement of both abnormal over-pressures and under-pressures is low hydraulic conductivity in either the formation in which the abnormal pressures are observed, or in the overlying and underlying formations. Hydraulic conductivity estimates from straddle packer tests in the DGR boreholes confirm that the hydraulic

  13. A dual-permeability approach to preferential water flow and solute transport in shrinking soils

    NASA Astrophysics Data System (ADS)

    Coppola, Antonio; dragonetti, giovanna; Comegna, Alessandro; Gerke, Horst H.; Basile, Angelo

    2016-04-01

    The pore systems in most natural soils is dynamically changing due to alternating swelling and shrinkage processes, which induces changes in pore volume and pore size distribution including deformations in pore geometry. This is a serious difficulty for modeling flow and transport in dual permeability approaches, as it will also require that the geometrical deformation of both the soil matrix and the fracture porous systems be taken into account, as well as the dynamics of soil hydraulic properties in response to the domain deformations. This study follows up a previous work by the same authors extending the classical rigid (RGD) approach formerly proposed by Gerke and van Genuchten, to account for shrinking effects (SHR) in modeling water flow and solute transport in dual-permeability porous media. In this study we considered three SHR scenarios, assuming that aggregate shrinkage may change either: (i) the hydraulic properties of the two pore domains, (ii) their relative fractions, and (iii) both, hydraulic properties and fractions of the two domains. The objective was to compare simulation results obtained under the RGD and the SHR assumptions to illustrate the impact of matrix volume changes on water storage, water fluxes and solute concentrations during: 1) An infiltration process bringing an initially dry soil to saturation, 2) A drainage process starting from an initially saturated soil. For an infiltration process, the simulated wetting front and the solute concentration propagation velocity, as well as the water fluxes, water and solute exchange rates, for the three SHR scenarios significantly deviated from the RGD. By contrast, relatively similar water content profiles evolved under all scenarios during drying. Overall, compared to the RGD approach, the effect of changing the hydraulic properties and the weight of the two domains according to the shrinkage behavior of the soil aggregates induced a much more rapid response in terms of water fluxes and

  14. Flow Data for Solute Transport Modeling from Tracer Experiments in a Stream Not Continuously Gaining Water

    NASA Astrophysics Data System (ADS)

    Bencala, K. E.; Kimball, B. A.; Gooseff, M. N.

    2007-12-01

    In-stream tracer experiments are a well-established method for determining flow data to be incorporated in solute transport modeling. For a gaining stream, this method is implemented to provide spatial flow data at scales of minutes and tens of meters without physical disturbance to the flow of water, the streambed, or biota. Of importance for solute transport modeling, solute inflow loading along the stream can be estimated with this spatial data. The tracer information can also be interpreted to characterize hyporheic exchange time-scales for a stream with hyporheic exchange flowpaths (HEFs) that are short relative to the distance over which the stream gains water. The interpretation of tracer data becomes uncertain for a stream that is not gaining water continuously over intended study reach. We demonstrate, with straight-forward mass-balances, uncertainties for solute loading which arise in the analysis of streams locally losing water while predominantly gaining water (and solutes) over a larger scale. With field data from Mineral Creek (Silverton, Colorado) we illustrate the further uncertainty distinguishing HEFs from (locally) losing segments of the stream. Comparison of bromide tracer with ambient sulfate concentrations suggests that subsurface inflows and outflows, concurrent with likely HEFs, occur in a hydrogeochemical setting of multiple, dispersed and mixed, sources of water along a 64 m sub-reach of the predominately gaining, but locally losing, stream. To compute stream-reach mass-balances (the simplest of water quality models) there is a need to quantitatively define the character and source of contaminants entering streams from ground-water pathways, as well as the potential for changes in water chemistry and contaminant concentrations along flow paths crossing the sediment-water interface. Identification of inflow solute mass requires quantifying water gain, loss, and hyporheic exchange in addition to concentration.

  15. A novel sputum transport solution eliminates cold chain and supports routine tuberculosis testing in Nepal.

    PubMed

    Maharjan, Bhagwan; Shrestha, Bhabana; Weirich, Alexandra; Stewart, Andrew; Kelly-Cirino, Cassandra D

    2016-12-01

    This preliminary study evaluated the transport reagent OMNIgene SPUTUM (OMS) in a real-world, resource-limited setting: a zonal hospital and national tuberculosis (TB) reference laboratory, Nepal. The objectives were to: (1) assess the performance of OMS for transporting sputum from peripheral sites without cold chain stabilization; and (2) compare with Nepal's standard of care (SOC) for Mycobacterium tuberculosis smear and culture diagnostics. Sixty sputa were manually split into a SOC sample (airline-couriered to the laboratory, conventional processing) and an OMS sample (OMS added at collection, no cold chain transport or processing). Smear microscopy and solid culture were performed. Transport was 0-8days. Forty-one samples (68%) were smear-positive using both methods. Of the OMS cultures, 37 (62%) were positive, 22 (36%) were negative, and one (2%) was contaminated. Corresponding SOC results were 32 (53%), 21 (35%), and seven (12%). OMS "rescued" six (i.e., missed using SOC) compared with one rescue using SOC. Of smear-positives, six SOC samples produced contaminated cultures whereas only one OMS sample was contaminated. OMS reduced culture contamination from 12% to 2%, and improved TB detection by 9%. The results suggest that OMS could perform well as a no cold chain, long-term transport solution for smear and culture testing. The findings provide a basis for larger feasibility studies.

  16. Small-scale variability in solute transport processes in a homogeneous clay loam soil

    SciTech Connect

    Garrido, F.; Ghodrati, M.; Chendorain, M.; Campbell, C.G.

    1999-12-01

    Small-scale variations in transport parameters may have a profound influence on larger scale flow processes. Fiber-optic miniprobes (FOMPs) provide the opportunity to continuously measure solute resident concentration in small soil volumes. A 20-channel multi-plexed-FOMP system was used in repeated miscible displacements in a repacked clay loam soil column to examine small-scale, point-to-point variability in convective-dispersive transport processes. Transport parameters, measured 10 cm below the surface, were compared at two drip irrigation point densities and two fluxes. Irrigation densities of one irrigation drip point per 4 cm{sup 2} and 11 cm{sup 2} of column surface area produced similar results. The breakthrough curves measured at 0.10 cm h{sup {minus}1} had a larger immobile phase than at a flux of 1.07 cm h{sup {minus}1}. In the clay loam soil the mobile-immobile model fit the breakthrough curves better than the convective-dispersive equation (CDE), with r{sup 2} values of 99.6 and 97.1, respectively. This analysis demonstrated that dispersion and mass recovery were much more variable than pore water velocity in this repacked clay loam soil. However, even in the most variable transport conditions encountered, only 17 sampling points were necessary to describe the column average transport parameters within 20% of the mean.

  17. [Application of the network thermodynamics to interpretation of transport in a microsystems: transport of homogeneous solutions through polymeric membrane].

    PubMed

    Slezak, Andrzej

    2011-01-01

    The Kedem-Katchalsky equations, derived using symmetric and hybrid transformation of the Peusner's network transformation, to interpretation of transport through Nephrophan membrane of glucose aqueous solutions were employed. The values of Rij, Lij, Hij i Pij (i does not = j = 1, 2) coefficients were calculated. From these calculations it results that, the values of coefficients R12, L11 and H11 are independent on concentration (C). The values of residual coefficients are dependent on C: values of coefficients P11, L12, L22 and H22 increases linearly, while values of coefficients R22 and P22--hiperbolic decreases together with growth of C. In turn the coefficient H12 is negative and coefficients P11 and P12 are positive. The values of these coefficients decreases together with growth of C.

  18. Modeling variably saturated multispecies reactive groundwater solute transport with MODFLOW-UZF and RT3D

    USGS Publications Warehouse

    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.

  19. Modeling variably saturated multispecies reactive groundwater solute transport with MODFLOW-UZF and RT3D.

    PubMed

    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.

  20. Simulation of hydrodynamics and solute transport in the Pamlico River estuary, North Carolina

    USGS Publications Warehouse

    Bales, Jerad; Robbins, Jeanne C.

    1995-01-01

    An investigation was conducted to characterize flow, circulation, and solute transport in the Pamlico River estuary, North Carolina. The study included a detailed field-measurement program and the calibration, validation, and application of a physically realistic numerical model of hydro- dynamics and transport. Water level, salinity, water temperature, wind speed and direction, and current data were collected during March 1988 through September 1992, and were used to characterize physical conditions in the estuary. Data from pre- existing streamflow gaging stations and meteoro- logical stations were also used. A two-dimensional vertically averaged hydrodynamic and solute transport model was applied to the 48-kilometer study reach. The model domain was discretized into 5,620 separate 200- by 200-meter computational cells. Model calibration was achieved through adjustment of parameters for June 14-30, 1991. Data from selected periods in 1989 and 1991 were used for model validation. Water levels used for model calibration and validation ranged from -0.052 to 0.698 meter; salinities ranged from 0.1 to 13.1 parts per thousand; and wind speeds ranged from calm to 22 meters per second. The model was tested for stratified and unstratified conditions. Simulated and observed data were used to evaluate model performance. The calibrated model was applied for selected periods in 1989 and 1991. Instantaneous flows were simulated at each boundary and at mid- estuary. Circulation patterns were characterized using vector plots, particle tracking, and solute transport. Particle tracks showed that materials released at mid-estuary may remain in the system for 25 days or longer.

  1. A multiscale 3D finite element analysis of fluid/solute transport in mechanically loaded bone.

    PubMed

    Fan, Lixia; Pei, Shaopeng; Lucas Lu, X; Wang, Liyun

    2016-01-01

    The transport of fluid, nutrients, and signaling molecules in the bone lacunar-canalicular system (LCS) is critical for osteocyte survival and function. We have applied the fluorescence recovery after photobleaching (FRAP) approach to quantify load-induced fluid and solute transport in the LCS in situ, but the measurements were limited to cortical regions 30-50 μm underneath the periosteum due to the constrains of laser penetration. With this work, we aimed to expand our understanding of load-induced fluid and solute transport in both trabecular and cortical bone using a multiscaled image-based finite element analysis (FEA) approach. An intact murine tibia was first re-constructed from microCT images into a three-dimensional (3D) linear elastic FEA model, and the matrix deformations at various locations were calculated under axial loading. A segment of the above 3D model was then imported to the biphasic poroelasticity analysis platform (FEBio) to predict load-induced fluid pressure fields, and interstitial solute/fluid flows through LCS in both cortical and trabecular regions. Further, secondary flow effects such as the shear stress and/or drag force acting on osteocytes, the presumed mechano-sensors in bone, were derived using the previously developed ultrastructural model of Brinkman flow in the canaliculi. The material properties assumed in the FEA models were validated against previously obtained strain and FRAP transport data measured on the cortical cortex. Our results demonstrated the feasibility of this computational approach in estimating the fluid flux in the LCS and the cellular stimulation forces (shear and drag forces) for osteocytes in any cortical and trabecular bone locations, allowing further studies of how the activation of osteocytes correlates with in vivo functional bone formation. The study provides a promising platform to reveal potential cellular mechanisms underlying the anabolic power of exercises and physical activities in treating

  2. A multiscale 3D finite element analysis of fluid/solute transport in mechanically loaded bone

    PubMed Central

    Fan, Lixia; Pei, Shaopeng; Lucas Lu, X; Wang, Liyun

    2016-01-01

    The transport of fluid, nutrients, and signaling molecules in the bone lacunar–canalicular system (LCS) is critical for osteocyte survival and function. We have applied the fluorescence recovery after photobleaching (FRAP) approach to quantify load-induced fluid and solute transport in the LCS in situ, but the measurements were limited to cortical regions 30–50 μm underneath the periosteum due to the constrains of laser penetration. With this work, we aimed to expand our understanding of load-induced fluid and solute transport in both trabecular and cortical bone using a multiscaled image-based finite element analysis (FEA) approach. An intact murine tibia was first re-constructed from microCT images into a three-dimensional (3D) linear elastic FEA model, and the matrix deformations at various locations were calculated under axial loading. A segment of the above 3D model was then imported to the biphasic poroelasticity analysis platform (FEBio) to predict load-induced fluid pressure fields, and interstitial solute/fluid flows through LCS in both cortical and trabecular regions. Further, secondary flow effects such as the shear stress and/or drag force acting on osteocytes, the presumed mechano-sensors in bone, were derived using the previously developed ultrastructural model of Brinkman flow in the canaliculi. The material properties assumed in the FEA models were validated against previously obtained strain and FRAP transport data measured on the cortical cortex. Our results demonstrated the feasibility of this computational approach in estimating the fluid flux in the LCS and the cellular stimulation forces (shear and drag forces) for osteocytes in any cortical and trabecular bone locations, allowing further studies of how the activation of osteocytes correlates with in vivo functional bone formation. The study provides a promising platform to reveal potential cellular mechanisms underlying the anabolic power of exercises and physical activities in

  3. Diffusion Dominant Solute Transport Modelling in Fractured Media Under Deep Geological Environment - 12211

    SciTech Connect

    Kwong, S.; Jivkov, A.P.

    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

  4. Modeling transport of Escherichia coli in a creek during and after artificial high-flow events: three-year study and analysis.

    PubMed

    Yakirevich, A; Pachepsky, Y A; Guber, A K; Gish, T J; Shelton, D R; Cho, K H

    2013-05-15

    Escherichia coli is the leading indicator of microbial contamination of natural waters, and so its in-stream fate and transport needs to be understood to eventually minimize surface water contamination by microorganisms. To better understand mechanisms of E. coli release and transport from soil sediment in a creek the artificial high-water flow events were created by releasing 60-80 m(3) of city water on a tarp-covered stream bank in four equal allotments in July 2008, 2009 and 2010. A conservative tracer difluorobenzoic acid (DFBA) was added to the released water in 2009 and 2010. Water flow rate, E. coli and DFBA concentrations as well as water turbidity were monitored with automated samplers at three in-stream weirs. A one-dimensional model was applied to simulate water flow, and E. coli and DFBA transport during these experiments. The Saint-Venant equations were used to calculate water depth and discharge while a stream solute transport model accounted for release of bacteria by shear stress from bottom sediments, advection-dispersion, and exchange with transient storage (TS). Reach-specific model parameters were estimated by evaluating observed time series of flow rates and concentrations of DFBA and E. coli at all three weir stations. Observed DFBA and E. coli breakthrough curves (BTC) exhibited long tails after the water pulse and tracer peaks had passed indicating that transient storage (TS) might be an important element of the in-stream transport process. Comparison of simulated and measured E. coli concentrations indicated that significant release of E. coli continued when water flow returned to the base level after the water pulse passed and bottom shear stress was small. The mechanism of bacteria continuing release from sediment could be the erosive boundary layer exchange enhanced by changes in biofilm properties by erosion and sloughing detachment.

  5. Role of turgor pressure and solute transport in plant cell growth: Progress report

    SciTech Connect

    Cosgrove, D.J.

    1987-10-15

    Plant cell expansion requires coordinationion of three distinct processes: wall relaxation and synthesis, water uptake, and solute uptake. Wall relaxation reduces cell turgor pressure and thereby generates the reduced water for water potential needed uptake. Our studies with pea (Pisum sativum L.) and soybean (Glycine max Merr.) seedlings have shown that water uptake is rapid and is not a major control point for growth. Our current focus is on the processes of wall relaxation and solute transport, and how they are influenced by water stress. One major goal of this project is to examine in detail the dependence of wall yielding on turgor pressure. This is being done by detailed measurements of wall relaxation in living cells, using a computer-assisted pressure microprobe and the new pressure-block technique. Our pressure-block results indicate that wall relaxation is more dynamic than expected. Rapid changes in wall yielding appear to compensate for minor fluctuations in cell turgor pressure, thus maintaining stable growth rates. A second major goal of this project is to determine the interrelationship between cell expansion and solute transport into expanding cells. We will selectively block either cell expansion or solute transport, and measure the effect of such blockage on the unblocked process. A third goal is to examine the basis for reduced cell expansion when plants are water stressed. Our results indicate that growth is retarded in part because of reduced turgor pressure, and in part because of reduced cell wall relaxation. The alteration in wall relaxation will be examined by in-vivo relaxation methods. Thus studies will provide insight into the basic cellular and physical processes controlling plant growth, and how they are perturbed by water stress. 8 refs., 1 fig.

  6. Numerical simulation of solute transport in southwestern Salt Lake Valley, Utah

    USGS Publications Warehouse

    Lambert, P.M.

    1996-01-01

    Contaminated ground water characterized by high concentrations of dissolved solids and dissolved sulfate, and in areas, by low pH and elevated concentrations of metals, is present near public-supply wells in the southwestern Salt Lake Valley. To provide State officials and water users with information concerning the potential movement of contaminated ground water to points of withdrawal in the area, an analysis of solute transport using computer models was done by the U.S. Geological Survey in cooperation with the Utah Department of Natural Resources, Division of Water  Rights, and local municipalities and water users.A three-dimensional solute-transport model was developed and couples with an existing ground-water flow model of Salt Lake Valley to simulate the movement of dissolved sulfate in ground water in southwestern Salt Lake Valley. Development and calibration of the transport model focused mainly on sulfate movement down-gradient from the Bingham Creek Reservoirs and the South Jordan evaporation ponds east of the mouth of Bingham Canyon. Estimates of transport parameters were adjusted during a calibration simulation representing conditions during 1965-93. After calibration, the transport model was used to simulate future sulfate movement for 1994-2043.Because of uncertainty in estimated transport-parameter values, three projection transport simulations incorporating a range of probable parameter values were done to evaluate future sulfate movement and changes in sulfate concentrations at selected public-supply wells. These projection simulations produced a possible range of computed transport rates and patterns. In general, the projection simulations indicated movement of the sulfate plume east of the Bingham Creek reservoir toward public-supply wells northeast of the reservoirs and then eastward toward the Jordan River. Ground water with high concentrations of sulfate east of the South Jordan evaporation ponds is simulated as moving west to east under the

  7. Generic reactive transport codes as flexible tools to integrate soil organic matter degradation models with water, transport and geochemistry in soils

    NASA Astrophysics Data System (ADS)

    Jacques, Diederik; Gérard, Fréderic; Mayer, Uli; Simunek, Jirka; Leterme, Bertrand

    2016-04-01

    A large number of organic matter degradation, CO2 transport and dissolved organic matter models have been developed during the last decades. However, organic matter degradation models are in many cases strictly hard-coded in terms of organic pools, degradation kinetics and dependency on environmental variables. The scientific input of the model user is typically limited to the adjustment of input parameters. In addition, the coupling with geochemical soil processes including aqueous speciation, pH-dependent sorption and colloid-facilitated transport are not incorporated in many of these models, strongly limiting the scope of their application. Furthermore, the most comprehensive organic matter degradation models are combined with simplified representations of flow and transport processes in the soil system. We illustrate the capability of generic reactive transport codes to overcome these shortcomings. The formulations of reactive transport codes include a physics-based continuum representation of flow and transport processes, while biogeochemical reactions can be described as equilibrium processes constrained by thermodynamic principles and/or kinetic reaction networks. The flexibility of these type of codes allows for straight-forward extension of reaction networks, permits the inclusion of new model components (e.g.: organic matter pools, rate equations, parameter dependency on environmental conditions) and in such a way facilitates an application-tailored implementation of organic matter degradation models and related processes. A numerical benchmark involving two reactive transport codes (HPx and MIN3P) demonstrates how the process-based simulation of transient variably saturated water flow (Richards equation), solute transport (advection-dispersion equation), heat transfer and diffusion in the gas phase can be combined with a flexible implementation of a soil organic matter degradation model. The benchmark includes the production of leachable organic matter

  8. Impact of 3D root uptake on solute transport: a numerical study

    NASA Astrophysics Data System (ADS)

    Schröder, N.; Javaux, M.; Vanderborght, J.; Steffen, B.; Vereecken, H.

    2011-12-01

    Plant transpiration is an important component of the hydrological cycle. Through root water uptake, plants do not only affect the 3D soil water flow velocity distribution, but also solute movement in soil. This numerical study aims at investigating how solute fate is impacted by root uptake using the 3D biophysical model R-SWMS (Javaux et al., 2008). This model solves the Richards equation in 3D in the soil and the flow equation within the plant root xylem vessels. Furthermore, for solute transport simulations, the 3D particle tracker PARTRACE (Bechtold et al., 2011) was used. . We generated 3D virtual steady-state breakthrough curves (BTC) experiments in soils with transpiring plants. The averaged BTCs were then fitted with a 1D numerical flow model under steady-state conditions to obtain apparent CDE parameters. Two types of root architecture, a fibrous and a taprooted structure, were compared in virtual 3D experiments. The solute uptake type or the transpiration rate were also modified and we analyzed how these parameters affected apparent disperisivity and velocity profiles. Our simulation results show, that both, apparent velocity and dispersivity length are affected by water and solute root uptake. In addition, under high exclusion processes (slight or no active uptake), solute accumulates around roots and generates a long tailing to the breakthrough curves, which cannot be reproduced by 1D models that simulate root water uptake with solute exclusion. This observation may have an important impact on how to model pollutant mass transfer to groundwater at larger scales. Javaux, M., T. Schröder, J. Vanderborght, and H. Vereecken. 2008. Use of a three-dimensional detailed modeling approach for predicting root water uptake. Vadose Zone J. 7:1079-1088.doi: 10.2136/vzj2007.0115. Bechtold, M., S. Haber-Pohlmeier, J. Vanderborght, A. Pohlmeier, P.A. Ferre, and H. Vereecken. 2011. Near-surface solute redistribution during evaporation. Submitted to Geophys. Res. Lett

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

    USGS Publications Warehouse

    Runkel, R.L.; Kimball, B.A.; McKnight, Diane M.; Bencala, K.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.

  10. Hierarchical simulation of aquifer heterogeneity: implications of different simulation settings on solute-transport modeling

    NASA Astrophysics Data System (ADS)

    Comunian, Alessandro; De Micheli, Leonardo; Lazzati, Claudio; Felletti, Fabrizio; Giacobbo, Francesca; Giudici, Mauro; Bersezio, Riccardo

    2016-03-01

    The fine-scale heterogeneity of porous media affects the large-scale transport of solutes and contaminants in groundwater and it can be reproduced by means of several geostatistical simulation tools. However, including the available geological information in these tools is often cumbersome. A hierarchical simulation procedure based on a binary tree is proposed and tested on two real-world blocks of alluvial sediments, of a few cubic meters volume, that represent small-scale aquifer analogs. The procedure is implemented using the sequential indicator simulation, but it is so general that it can be adapted to various geostatistical simulation tools, improving their capability to incorporate geological information, i.e., the sedimentological and architectural characterization of heterogeneity. When compared with a standard sequential indicator approach on bi-dimensional simulations, in terms of proportions and connectivity indicators, the proposed procedure yields reliable results, closer to the reference observations. Different ensembles of three-dimensional simulations based on different hierarchical sequences are used to perform numerical experiments of conservative solute transport and to obtain ensembles of equivalent pore velocity and dispersion coefficient at the scale length of the blocks (meter). Their statistics are used to estimate the impact of the variability of the transport properties of the simulated blocks on contaminant transport modeled on bigger domains (hectometer). This is investigated with a one-dimensional transport modeling based on the Kolmogorov-Dmitriev theory of branching stochastic processes. Applying the proposed approach with diverse binary trees and different simulation settings provides a great flexibility, which is revealed by the differences in the breakthrough curves.

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

    USGS Publications Warehouse

    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

  12. Transition from non-Fickian to Fickian longitudinal transport through 3-D rough fractures: Scale-(in)sensitivity and roughness dependence

    NASA Astrophysics Data System (ADS)

    Wang, Lichun; Bayani Cardenas, M.

    2017-03-01

    Understanding transport in rough fractures from non-Fickian to Fickian regimes and the prediction of non-Fickian transport is critical for the development of new transport theories and many practical applications. Through computational experiments that fall within the macrodispersion regime, we first simulated and analyzed solute transport through synthetic rough fractures with stationary geometrical properties (i.e., fracture roughness σb/ and correlation length λ, where b refers to aperture with its standard deviation σb and arithmetic mean ) across increasing fracture longitudinal transport domain length L, with L/λ ranging from 2.5 to 50. The results were used to determine how solute transport behavior evolves with increasing scale in the longitudinal direction. Moreover, a set of correlated fractures with aperture fields following normal and log-normal distributions was created to further identify and quantify the dependence of non-Fickian transport on roughness. We found that although persistent intermittent velocity structures were present, the breakthrough curves (BTCs) and residence time distributions showed diminishing early arrival and tailing, features of non-Fickian transport, with increasing longitudinal L/λ, ultimately converging to a Fickian transport regime given σb/ remained constant. Inverse analysis of the experimental BTCs with the advection-dispersion equation (ADE) model showed that the dispersion coefficient (D) was non-trivially scale-dependent. Simulation results for rough fractures with varying σb/ and L/λ indicated that the ratio of fluid velocity to transport velocity fitted to the ADE model depends on σb/ and L/λ. The continuous time random walk (CTRW) performed much better across all transport scales, and resulted in scale-independent fitted parameters, i.e., β in the memory function. The fitted β is proportional to σb/but is insensitive to L/λ. Therefore, bulk longitudinal solute transport across the pre-asymptotic and

  13. Solute transport with multisegment, equilibrium-controlled reactions: A feed forward simulation method

    USGS Publications Warehouse

    Rubin, Jacob

    1990-01-01

    The feed forward method (FF method) is one of the ways of formulating operational equations which simulate transport of solutes influenced by equilibrium-controlled reaction networks. The FF method provides increased solution efficiency by adapting its formulations to some of the network's fundamental features. In this study the FF method is further developed by adapting and testing it for a variety of network conditions. Classes of homogeneous, classical heterogeneous, and ion exchange network segments are studied. Networks may contain only a single class of segments or they may involve two or three segment classes. The FF method is found applicable to all the cases tested. In only one of these cases, for the more complex configurations of network segments, the FF method does not attain all of its objectives. A systematic, stepwise approach to method development is employed. It reveals, for certain subnetworks, an a priori inadmissibility, irrespective of the method used, and, for some other networks, an a priori irrelevance to transport dynamics. It also demonstrates that when certain subnetworks, belonging to different segment classes, form a single network, synergism (or antagonism) may occasionally arise and decrease (or increase) the difficulty of solving the transport problem.

  14. Thermally cross-linkable hole transport polymers for solution-based organic light-emitting diodes.

    PubMed

    Cha, Seung Ji; Cho, Se-Na; Lee, Woo-Hyung; Chung, Ha-Seul; Kang, In-Nam; Suh, Min Chul

    2014-04-01

    Two thermally cross-linkable hole transport polymers that contain phenoxazine and triphenylamine moieties, X-P1 and X-P2, are developed for use in solution-processed multi-stack organic light-emitting diodes (OLEDs). Both X-P1 and X-P2 exhibit satisfactory cross-linking and optoelectronic properties. The highest occupied molecular orbital (HOMO) levels of X-P1 and X-P2 are -5.24 and -5.16 eV, respectively. Solution-processed super yellow polymer devices (ITO/X-P1 or X-P2/PDY-132/LiF/Al) with X-P1 or X-P2 hole transport layers of various thicknesses are fabricated with the aim of optimizing the device characteristics. The fabricated multi-stack yellow devices containing the newly synthesized hole transport polymers exhibit satisfactory currents and power efficiencies. The optimized X-P2 device exhibits a device efficiency that is dramatically improved by more than 66% over that of a reference device without an HTL.

  15. Solute transport and storage mechanisms in wetlands of the Everglades, south Florida

    USGS Publications Warehouse

    Harvey, J.W.; Saiers, J.E.; Newlin, J.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 column. As a

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

    USGS Publications Warehouse

    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

  17. Solute transport properties of compacted Ca-bentonite used in FEBEX project

    NASA Astrophysics Data System (ADS)

    García-Gutiérrez, M.; Missana, T.; Mingarro, M.; Samper, J.; Dai, Z.; Molinero, J.

    2001-02-01

    The present Spanish concept of a deep geological high level waste repository includes an engineered clay barrier around the canister. The clay presents a very high sorption capability for radionuclides and a very small hydraulic conductivity, so that the migration process of solutes is limited by sorption and diffusion processes. Therefore, diffusion and distribution coefficients in compacted bentonite (i.e. in "realistic" liquid to solid ratio conditions) are the main parameters that have to be obtained in order to characterise solute transport that could be produced after the canister breakdown. Through-Diffusion (TD) and In-Diffusion (ID) experiments with HTO, Sr, Cs and Se were carried out using compacted FEBEX bentonite, which is the reference material for the Spanish concept of radioactive waste disposal. Experiments were interpreted by means of available analytical solutions that allow the estimation of diffusion coefficients and, in some cases, distribution coefficients. Analytical solutions are simple to use, but rely on hypotheses that do not hold in all the experiments. These experiments were interpreted also using an automatic parameter estimation code that overcomes the limitations of analytical solutions. Numerical interpretation allows the simultaneous estimation of porosity, diffusion and distribution coefficients, accounts for the role of porous sinters and time-varying boundary concentrations, and can use different types of raw concentration data.

  18. Solution-Processed Metal Oxides as Efficient Carrier Transport Layers for Organic Photovoltaics.

    PubMed

    Choy, Wallace C H; Zhang, Di

    2016-01-27

    Carrier (electron and hole) transport layers (CTLs) are essential components for boosting the performance of various organic optoelectronic devices such as organic solar cells and organic light-emitting diodes. Considering the drawbacks of conventional CTLs (easily oxidized/unstable, demanding/costly fabrication, etc.), transition metal oxides with good carrier transport/extraction and superior stability have drawn extensive research interest as CTLs for next-generation devices. In recent years, many research efforts have been made toward the development of solution-based metal oxide CTLs with the focus on low- or even room-temperature processes, which can potentially be compatible with the deposition processes of organic materials and can significantly contribute to the low-cost and scale-up of organic devices. Here, the recent progress of different types of solution-processed metal oxide CTLs are systematically reviewed in the context of organic photovoltaics, from synthesis approaches to device performance. Different approaches for further enhancing the performance of solution-based metal oxide CTLs are also discussed, which may push the future development of this exciting field.

  19. A Systematic Solution Approach for Neutron Transport Problems in Diffuse Regimes

    NASA Technical Reports Server (NTRS)

    Manteuffel, T. A.; Ressel, K. J.

    1996-01-01

    A systematic solution approach for the neutron transport equation, based on a least-squares finite-element discretization, is presented. This approach includes the theory for the existence and uniqueness of the analytical as well as of the discrete solution, bounds for the discretization error, and guidance for the development of an efficient multigrid solver for the resulting discrete problem. To guarantee the accuracy of the discrete solution for diffusive regimes, a scaling transformation is applied to the transport operator prior to the discretization. The key result is the proof of the V-ellipticity and continuity of the scaled least-squares bilinear form with constants that are independent of the total cross section and the absorption cross section. For a variety of least-squares finite-element discretizations this leads to error bounds that remain valid in diffusive regimes. Moreover, for problems in slab geometry a full multigrid solver is presented with V(1, 1)-cycle convergence rates approximately equal to 0.1, independent of the size of the total cross section and the absorption cross section.

  20. Modeling Bimolecular Reactions and Transport in Porous Media Via Particle Tracking

    SciTech Connect

    Dong Ding; David Benson; Amir Paster; Diogo Bolster

    2012-01-01

    We use a particle-tracking method to simulate several one-dimensional bimolecular reactive transport experiments. In this numerical method, the reactants are represented by particles: advection and dispersion dominate the flow, and molecular diffusion dictates, in large part, the reactions. The particle/particle reactions are determined by a combination of two probabilities dictated by the physics of transport and energetics of reaction. The first is that reactant particles occupy the same volume over a short time interval. The second is the conditional probability that two collocated particles favorably transform into a reaction. The first probability is a direct physical representation of the degree of mixing in an advancing displacement front, and as such lacks empirical parameters except for the user-defined number of particles. This number can be determined analytically from concentration autocovariance, if this type of data is available. The simulations compare favorably to two physical experiments. In one, the concentration of product, 1,2-naphthoquinoe-4-aminobenzene (NQAB) from reaction between 1,2-naphthoquinone-4-sulfonic acid (NQS) and aniline (AN), was measured at the outflow of a column filled with glass beads at different times. In the other, the concentration distribution of reactants (CuSO_4 and EDTA^{4-}) and products (CuEDTA^{4-}) were quantified by snapshots of transmitted light through a column packed with cryloite sand. The thermodynamic rate coefficient in the latter experiment was 10^7 times greater than the former experiment, making it essentially instantaneous. When compared to the solution of the advection-dispersion-reaction equation (ADRE) with the well-mixed reaction coefficient, the experiments and the particle-tracking simulations showed on the order of 20% to 40% less overall product, which is attributed to poor mixing. The poor mixing also leads to higher product concentrations on the edges of the mixing zones, which the particle

  1. A class of analytical solutions for multidimensional multispecies diffusive transport coupled with precipitation-dissolution reactions and porosity changes

    NASA Astrophysics Data System (ADS)

    Hayek, Mohamed; Kosakowski, Georg; Jakob, Andreas; Churakov, Sergey V.

    2012-03-01

    One of the challenging problems in mathematical geosciences is the determination of analytical solutions of nonlinear partial differential equations describing transport processes in porous media. We are interested in diffusive transport coupled with precipitation-dissolution reactions. Several numerical computer codes that simulate such systems have been developed. Analytical solutions, if they exist, represent an important tool for verification of numerical solutions. We present a methodology for deriving such analytical solutions that are exact and explicit in space and time variables. They describe transport of several aqueous species coupled to precipitation and dissolution of a single mineral in one, two, and three dimensions. As an application, we consider explicit analytical solutions for systems containing one or two solute species that describe the evolution of solutes and solid concentrations as well as porosity. We use one of the proposed analytical solutions to test numerical solutions obtained from two conceptually different reactive transport codes. Both numerical implementations could be verified with the help of the analytical solutions and show good agreement in terms of spatial and temporal evolution of concentrations and porosities.

  2. Benchmark solutions for transport in d-dimensional Markov binary mixtures

    NASA Astrophysics Data System (ADS)

    Larmier, Coline; Hugot, François-Xavier; Malvagi, Fausto; Mazzolo, Alain; Zoia, Andrea

    2017-03-01

    Linear particle transport in stochastic media is key to such relevant applications as neutron diffusion in randomly mixed immiscible materials, light propagation through engineered optical materials, and inertial confinement fusion, only to name a few. We extend the pioneering work by Adams, Larsen and Pomraning [1] (recently revisited by Brantley [2]) by considering a series of benchmark configurations for mono-energetic and isotropic transport through Markov binary mixtures in dimension d. The stochastic media are generated by resorting to Poisson random tessellations in 1 d slab, 2 d extruded, and full 3 d geometry. For each realization, particle transport is performed by resorting to the Monte Carlo simulation. The distributions of the transmission and reflection coefficients on the free surfaces of the geometry are subsequently estimated, and the average values over the ensemble of realizations are computed. Reference solutions for the benchmark have never been provided before for two- and three-dimensional Poisson tessellations, and the results presented in this paper might thus be useful in order to validate fast but approximated models for particle transport in Markov stochastic media, such as the celebrated Chord Length Sampling algorithm.

  3. Transport and dosimetric solutions for the ELIMED laser-driven beam line

    NASA Astrophysics Data System (ADS)

    Cirrone, G. A. P.; Romano, F.; Scuderi, V.; Amato, A.; Candiano, G.; Cuttone, G.; Giove, D.; Korn, G.; Krasa, J.; Leanza, R.; Manna, R.; Maggiore, M.; Marchese, V.; Margarone, D.; Milluzzo, G.; Petringa, G.; Sabini, M. G.; Schillaci, F.; Tramontana, A.; Valastro, L.; Velyhan, A.

    2015-10-01

    Within 2017, the ELIMED (ELI-Beamlines MEDical applications) transport beam-line and dosimetric systems for laser-generated beams will be installed at the ELI-Beamlines facility in Prague (CZ), inside the ELIMAIA (ELI Multidisciplinary Applications of laser-Ion Acceleration) interaction room. The beam-line will be composed of two sections: one in vacuum, devoted to the collecting, focusing and energy selection of the primary beam and the second in air, where the ELIMED beam-line dosimetric devices will be located. This paper briefly describes the transport solutions that will be adopted together with the main dosimetric approaches. In particular, the description of an innovative Faraday Cup detector with its preliminary experimental tests will be reported.

  4. A modified two-state empirical valence bond model for proton transport in aqueous solutions

    SciTech Connect

    Mabuchi, Takuya; Fukushima, Akinori; Tokumasu, Takashi

    2015-07-07

    A detailed analysis of the proton solvation structure and transport properties in aqueous solutions is performed using classical molecular dynamics simulations. A refined two-state empirical valence bond (aTS-EVB) method, which is based on the EVB model of Walbran and Kornyshev and the anharmonic water force field, is developed in order to describe efficiently excess proton transport via the Grotthuss mechanism. The new aTS-EVB model clearly satisfies the requirement for simpler and faster calculation, because of the simplicity of the two-state EVB algorithm, while providing a better description of diffusive dynamics of the excess proton and water in comparison with the previous two-state EVB models, which significantly improves agreement with the available experimental data. The results of activation energies for the excess proton and water calculated between 300 and 340 K (the temperature range used in this study) are also found to be in good agreement with the corresponding experimental data.

  5. Modeling study of solute transport in the unsaturated zone: Workshop proceedings

    SciTech Connect

    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.

  6. Solute transport in a well under slow-purge and no-purge conditions

    NASA Astrophysics Data System (ADS)

    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

  7. A cellular automaton model adapted to sandboxes to simulate the transport of solutes

    NASA Astrophysics Data System (ADS)

    Lora, Boris; Donado, Leonardo; Castro, Eduardo; Bayuelo, Alfredo

    2016-04-01

    The increasingly use of groundwater sources for human consumption and the growth of the levels of these hydric sources contamination make imperative to reach a deeper understanding how the contaminants are transported by the water, in particular through a heterogeneous porous medium. Accordingly, the present research aims to design a model, which simulates the transport of solutes through a heterogeneous porous medium, using cellular automata. Cellular automata (CA) are a class of spatially (pixels) and temporally discrete mathematical systems characterized by local interaction (neighborhoods). The pixel size and the CA neighborhood were determined in order to reproduce accurately the solute behavior (Ilachinski, 2001). For the design and corresponding validation of the CA model were developed different conservative tracer tests using a sandbox packed heterogeneously with a coarse sand (size # 20 grain diameter 0,85 to 0,6 mm) and clay. We use Uranine and a saline solution with NaCl as a tracer which were measured taking snapshots each 20 seconds. A calibration curve (pixel intensity Vs Concentration) was used to obtain concentration maps. The sandbox was constructed of acrylic (caliber 0,8 cms) with 70 x 45 x 4 cms of dimensions. The "sandbox" had a grid of 35 transversal holes with a diameter of 4 mm each and an uniform separation from one to another of 10 cms. To validate the CA-model it was used a metric consisting in rating the number of correctly predicted pixels over the total per image throughout the entire test run. The CA-model shows that calibrations of pixels and neighborhoods allow reaching results over the 60 % of correctly predictions usually. This makes possible to think that the application of the CA- model could be useful in further researches regarding the transport of contaminants in hydrogeology.

  8. Benchmark Study of 3D Pore-scale Flow and Solute Transport Simulation Methods

    NASA Astrophysics Data System (ADS)

    Scheibe, T. D.; Yang, X.; Mehmani, Y.; Perkins, W. A.; Pasquali, A.; Schoenherr, M.; Kim, K.; Perego, M.; Parks, M. L.; Trask, N.; Balhoff, M.; Richmond, M. C.; Geier, M.; Krafczyk, M.; Luo, L. S.; Tartakovsky, A. M.

    2015-12-01

    Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include 1) methods that explicitly model the three-dimensional geometry of pore spaces and 2) methods that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of the first type, using computational fluid dynamics (CFD) codes employing standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that benchmark study to include additional models of the first type based on the immersed-boundary method (IMB), lattice Boltzmann method (LBM), and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (PNM). While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries in the manner of PNMs has not been fully determined. We apply all five approaches (FVM-based CFD, IMB, LBM, SPH and PNM) to simulate pore-scale velocity distributions and nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The benchmark study was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This study provides support for confidence in a variety of pore-scale modeling methods, and motivates further development and application of pore-scale simulation methods.

  9. Physical Controls of Solute Transport and Storage in Indian Creek, an Urban Stream

    NASA Astrophysics Data System (ADS)

    Ryan, R. J.; Boufadel, M. C.

    2005-12-01

    Conservative solute tracer experiments are commonly used to estimate transient storage characteristics of relatively pristine streams. However, when combined with field-based data on stream morphology and sediment characteristics, one can reasonably determine not just the transport and storage characteristics, but also which processes control transport and storage in a given stream. This additional information is useful in urban streams undergoing relatively fast geomorphic and hydrologic changes. We conducted a conservative solute tracer experiment in Indian Creek, a small urban stream located in Philadelphia, Pennsylvania. As part of the experiment, we first surveyed the stream topography at a 1m resolution. During the tracer experiment, in addition to monitoring the surface water, we sampled bankside wells and small diameter wells installed in the wetted channel and in a large gravel bar. Post-experiment, we measured in situ streambed hydraulic conductivity using a portable permeameter. From our results we were able to determine that the hyporheic zone extends vertically more than 7.5 cm below the streambed and laterally as much as 8 m from the wetted channel. In addition, we found that our data from the in-channel wells yielded a strong linear relationship between the surface-subsurface tracer flux (mgL-1min-1) and hydraulic conductivity (cms-1). Finally, the observed tracer concentration in the bankside wells appeared to be related to stream curvature with higher concentrations found along the outside and lower concentrations found along the inside of stream bends. Based on our data, we conclude that 1) hyporheic exchange was a significant component of solute transport and storage in the urbanized Indian Creek and 2) hyporheic exchange was controlled by a combination of hydraulic conductivity and stream morphology.

  10. Upscaling of solute transport in disordered porous media by wavelet transformations

    NASA Astrophysics Data System (ADS)

    Moslehi, Mahsa; de Barros, Felipe P. J.; Ebrahimi, Fatemeh; Sahimi, Muhammad

    2016-10-01

    Modeling flow and solute transport in large-scale (e.g.) on the order of 103 m heterogeneous porous media involves substantial computational burden. A common approach to alleviate the problem is to utilize an upscaling method that generates models that require less intensive computations. The method must also preserve the important properties of the spatial distribution of the hydraulic conductivity (K) field. We use an upscaling method based on the wavelet transformations (WTs) that coarsens the computational grid based on the spatial distribution of K. The technique is applied to a porous formation with broadly distributed and correlated K values, and the governing equation for solute transport in the formation is solved numerically. The WT upscaling preserves the resolution of the initial highly-resolved computational grid in the high K zones, as well as that of the zones with sharp contrasts between the neighboring K, whereas the low-K zones are averaged out. To demonstrate the accuracy of the method, we simulate fluid flow and nonreactive solute transport in both the high-resolution and upscaled grids, and compare the concentration profiles and the breakthrough times. The results indicate that the WT upscaling of a K field generates non-uniform upscaled grids with a number of grid blocks that on average is about two percent of the number of the blocks in the original high-resolution computational grids, while the concentration profiles, the breakthrough times and the second moment of the concentration distribution, computed for both models, are virtually identical. A systematic parametric study is also carried out in order to investigate the sensitivity of the method to the broadness of the K field, the nature of the correlations in the field (positive versus negative), and the size of the computational grid. As the broadness of the K field and the size of the computational domain increase, better agreement between the results for the high-resolution and

  11. Numerical simulation of fracture permeability evolution due to reactive transport and pressure solution processes

    NASA Astrophysics Data System (ADS)

    Watanabe, N.; Sun, Y.; Taron, J.; Shao, H.; Kolditz, O.

    2013-12-01

    Modeling fracture permeability evolution is of great interest in various geotechnical applications including underground waste repositories, carbon capture and storage, and engineered geothermal systems where fractures dominate transport behaviors. In this study, a numerical model is presented to simulate fracture permeability evolution due to reactive transport and pressure solution processes in single fractures. The model was developed within the international benchmarking project for radioactive waste disposals, DECOVALEX 2015 (Task C1). The model combines bulk behavior in pore spaces with intergranular process at asperity contacts. Hydraulic flow and reactive transport including mineral dissolution and precipitation in fracture pore space are simulated using the Galerkin finite element method. A pressure solution model developed by Taron and Elsworth (2010 JGR) is applied to simulating stress-enhanced dissolution, solute exchange with pore space, and volume removal at grain contacts. Fracture aperture and contact area ratio are updated as a result of the pore-space reaction and intergranular dissolution. In order to increase robustness and time step size, relevant processes are monolithically coupled with the simulations. The model is implemented in a scientific open-source project OpenGeoSys (www.opengeosys.org) for numerical simulation of thermo-hydro-mechanical/chemical processes in porous and fractured media. Numerical results are compared to previous experiment performed by Yasuhara et al. (2006) on flow through fractures in the Arkansas novaculite sample. The novaculite is approximated as pure quartz aggregates. Only with fitted quartz dissolution rate constants and solubility is the current model capable of reproducing observed hydraulic aperture reduction and aqueous silicate concentrations. Future work will examine reaction parameters and further validate the model against experimental results.

  12. Phase-space finite elements in a least-squares solution of the transport equation

    SciTech Connect

    Drumm, C.; Fan, W.; Pautz, S.

    2013-07-01

    The linear Boltzmann transport equation is solved using a least-squares finite element approximation in the space, angular and energy phase-space variables. The method is applied to both neutral particle transport and also to charged particle transport in the presence of an electric field, where the angular and energy derivative terms are handled with the energy/angular finite elements approximation, in a manner analogous to the way the spatial streaming term is handled. For multi-dimensional problems, a novel approach is used for the angular finite elements: mapping the surface of a unit sphere to a two-dimensional planar region and using a meshing tool to generate a mesh. In this manner, much of the spatial finite-elements machinery can be easily adapted to handle the angular variable. The energy variable and the angular variable for one-dimensional problems make use of edge/beam elements, also building upon the spatial finite elements capabilities. The methods described here can make use of either continuous or discontinuous finite elements in space, angle and/or energy, with the use of continuous finite elements resulting in a smaller problem size and the use of discontinuous finite elements resulting in more accurate solutions for certain types of problems. The work described in this paper makes use of continuous finite elements, so that the resulting linear system is symmetric positive definite and can be solved with a highly efficient parallel preconditioned conjugate gradients algorithm. The phase-space finite elements capability has been built into the Sceptre code and applied to several test problems, including a simple one-dimensional problem with an analytic solution available, a two-dimensional problem with an isolated source term, showing how the method essentially eliminates ray effects encountered with discrete ordinates, and a simple one-dimensional charged-particle transport problem in the presence of an electric field. (authors)

  13. Particle Swarm Optimization for inverse modeling of solute transport in fractured gneiss aquifer.

    PubMed

    Abdelaziz, Ramadan; Zambrano-Bigiarini, Mauricio

    2014-08-01

    Particle Swarm Optimization (PSO) has received considerable attention as a global optimization technique from scientists of different disciplines around the world. In this article, we illustrate how to use PSO for inverse modeling of a coupled flow and transport groundwater model (MODFLOW2005-MT3DMS) in a fractured gneiss aquifer. In particular, the hydroPSO R package is used as optimization engine, because it has been specifically designed to calibrate environmental, hydrological and hydrogeological models. In addition, hydroPSO implements the latest Standard Particle Swarm Optimization algorithm (SPSO-2011), with an adaptive random topology and rotational invariance constituting the main advancements over previous PSO versions. A tracer test conducted in the experimental field at TU Bergakademie Freiberg (Germany) is used as case study. A double-porosity approach is used to simulate the solute transport in the fractured Gneiss aquifer. Tracer concentrations obtained with hydroPSO were in good agreement with its corresponding observations, as measured by a high value of the coefficient of determination and a low sum of squared residuals. Several graphical outputs automatically generated by hydroPSO provided useful insights to assess the quality of the calibration results. It was found that hydroPSO required a small number of model runs to reach the region of the global optimum, and it proved to be both an effective and efficient optimization technique to calibrate the movement of solute transport over time in a fractured aquifer. In addition, the parallel feature of hydroPSO allowed to reduce the total computation time used in the inverse modeling process up to an eighth of the total time required without using that feature. This work provides a first attempt to demonstrate the capability and versatility of hydroPSO to work as an optimizer of a coupled flow and transport model for contaminant migration.

  14. Particle Swarm Optimization for inverse modeling of solute transport in fractured gneiss aquifer

    NASA Astrophysics Data System (ADS)

    Abdelaziz, Ramadan; Zambrano-Bigiarini, Mauricio

    2014-08-01

    Particle Swarm Optimization (PSO) has received considerable attention as a global optimization technique from scientists of different disciplines around the world. In this article, we illustrate how to use PSO for inverse modeling of a coupled flow and transport groundwater model (MODFLOW2005-MT3DMS) in a fractured gneiss aquifer. In particular, the hydroPSO R package is used as optimization engine, because it has been specifically designed to calibrate environmental, hydrological and hydrogeological models. In addition, hydroPSO implements the latest Standard Particle Swarm Optimization algorithm (SPSO-2011), with an adaptive random topology and rotational invariance constituting the main advancements over previous PSO versions. A tracer test conducted in the experimental field at TU Bergakademie Freiberg (Germany) is used as case study. A double-porosity approach is used to simulate the solute transport in the fractured Gneiss aquifer. Tracer concentrations obtained with hydroPSO were in good agreement with its corresponding observations, as measured by a high value of the coefficient of determination and a low sum of squared residuals. Several graphical outputs automatically generated by hydroPSO provided useful insights to assess the quality of the calibration results. It was found that hydroPSO required a small number of model runs to reach the region of the global optimum, and it proved to be both an effective and efficient optimization technique to calibrate the movement of solute transport over time in a fractured aquifer. In addition, the parallel feature of hydroPSO allowed to reduce the total computation time used in the inverse modeling process up to an eighth of the total time required without using that feature. This work provides a first attempt to demonstrate the capability and versatility of hydroPSO to work as an optimizer of a coupled flow and transport model for contaminant migration.

  15. Solution of transport equations in layered media with refractive index mismatch using the PN-method.

    PubMed

    Phillips, Kevin G; Jacques, Steven L

    2009-10-01

    The PN-method is a spectral discretization technique used to obtain numerical solutions to the radiative transport equation. To the best of our knowledge, the PN-method has yet to be generalized to the case of refractive index mismatch in layered slabs used to numerically simulate skin. Our main contribution is the application of a collocation method that takes into account refractive index mismatch at layer interfaces. The stability, convergence, and accuracy of the method are established. Example calculations demonstrating the flexibility of the method are performed.

  16. Acoustic carrier transportation induced by surface acoustic waves in graphene in solution

    NASA Astrophysics Data System (ADS)

    Okuda, Satoshi; Ikuta, Takashi; Kanai, Yasushi; Ono, Takao; Ogawa, Shinpei; Fujisawa, Daisuke; Shimatani, Masaaki; Inoue, Koichi; Maehashi, Kenzo; Matsumoto, Kazuhiko

    2016-04-01

    The acoustic charge transportation induced by surface acoustic wave (SAW) propagation in graphene in solution was investigated. The sign of acoustic current (I A) was found to switch when crossing the Dirac point because the major carrier was transitioned from holes to electrons by the change in electrolyte-gate voltage. I A also exhibited a peak value under conditions of both hole and electron conduction. These results can be explained on the basis of a change in the type of major carrier in graphene, as well as a change in the carrier mobility of graphene.

  17. Generalized semi-analytical solutions to multispecies transport equation coupled with sequential first-order reaction network with spatially or temporally variable transport and decay coefficients

    NASA Astrophysics Data System (ADS)

    Suk, Heejun

    2016-08-01

    This paper presents a semi-analytical procedure for solving coupled the multispecies reactive solute transport equations, with a sequential first-order reaction network on spatially or temporally varying flow velocities and dispersion coefficients involving distinct retardation factors. This proposed approach was developed to overcome the limitation reported by Suk (2013) regarding the identical retardation values for all reactive species, while maintaining the extensive capability of the previous Suk method involving spatially variable or temporally variable coefficients of transport, general initial conditions, and arbitrary temporal variable inlet concentration. The proposed approach sequentially calculates the concentration distributions of each species by employing only the generalized integral transform technique (GITT). Because the proposed solutions for each species' concentration distributions have separable forms in space and time, the solution for subsequent species (daughter species) can be obtained using only the GITT without the decomposition by change-of-variables method imposing the limitation of identical retardation values for all the reactive species by directly substituting solutions for the preceding species (parent species) into the transport equation of subsequent species (daughter species). The proposed solutions were compared with previously published analytical solutions or numerical solutions of the numerical code of the Two-Dimensional Subsurface Flow, Fate and Transport of Microbes and Chemicals (2DFATMIC) in three verification examples. In these examples, the proposed solutions were well matched with previous analytical solutions and the numerical solutions obtained by 2DFATMIC model. A hypothetical single-well push-pull test example and a scale-dependent dispersion example were designed to demonstrate the practical application of the proposed solution to a real field problem.

  18. A conservative, positivity preserving scheme for reactive solute transport problems in moving domains

    NASA Astrophysics Data System (ADS)

    Mabuza, Sibusiso; Kuzmin, Dmitri; Čanić, Sunčica; Bukač, Martina

    2014-11-01

    We study the mathematical models and numerical schemes for reactive transport of a soluble substance in deformable media. The medium is a channel with compliant adsorbing walls. The solutes are dissolved in the fluid flowing through the channel. The fluid, which carries the solutes, is viscous and incompressible. The reactive process is described as a general physico-chemical process taking place on the compliant channel wall. The problem is modeled by a convection-diffusion adsorption-desorption equation in moving domains. We present a conservative, positivity preserving, high resolution ALE-FCT scheme for this problem in the presence of dominant transport processes and wall reactions on the moving wall. A Patankar type time discretization is presented, which provides conservative treatment of nonlinear reactive terms. We establish CFL-type constraints on the time step, and show the mass conservation of the time discretization scheme. Numerical simulations are performed to show validity of the schemes against effective models under various scenarios including linear adsorption-desorption, irreversible wall reaction, infinite adsorption kinetics, and nonlinear Langmuir kinetics. The grid convergence of the numerical scheme is studied for the case of fixed meshes and moving meshes in fixed domains. Finally, we simulate reactive transport in moving domains under linear and nonlinear chemical reactions at the wall, and show that the motion of the compliant channel wall enhances adsorption of the solute from the fluid to the channel wall. Consequences of this result are significant in the area of, e.g., nano-particle cancer drug delivery. Our result shows that periodic excitation of the cancerous tissue using, e.g., ultrasound, may enhance adsorption of cancer drugs carried by nano-particles via the human vasculature. For Taylor dispersion and for other convection dominated flows, numerical schemes for solute transport may lead to undesirable numerical artefacts. These

  19. Transport of neutral solute across articular cartilage: the role of zonal diffusivities.

    PubMed

    Arbabi, V; Pouran, B; Weinans, H; Zadpoor, A A

    2015-07-01

    Transport of solutes through diffusion is an important metabolic mechanism for the avascular cartilage tissue. Three types of interconnected physical phenomena, namely mechanical, electrical, and chemical, are all involved in the physics of transport in cartilage. In this study, we use a carefully designed experimental-computational setup to separate the effects of mechanical and chemical factors from those of electrical charges. Axial diffusion of a neutral solute Iodixanol into cartilage was monitored using calibrated microcomputed tomography micro-CT images for up to 48 hr. A biphasic-solute computational model was fitted to the experimental data to determine the diffusion coefficients of cartilage. Cartilage was modeled either using one single diffusion coefficient (single-zone model) or using three diffusion coefficients corresponding to superficial, middle, and deep cartilage zones (multizone model). It was observed that the single-zone model cannot capture the entire concentration-time curve and under-predicts the near-equilibrium concentration values, whereas the multizone model could very well match the experimental data. The diffusion coefficient of the superficial zone was found to be at least one order of magnitude larger than that of the middle zone. Since neutral solutes were used, glycosaminoglycan (GAG) content cannot be the primary reason behind such large differences between the diffusion coefficients of the different cartilage zones. It is therefore concluded that other features of the different cartilage zones such as water content and the organization (orientation) of collagen fibers may be enough to cause large differences in diffusion coefficients through the cartilage thickness.

  20. Temperature alters solute transport in growth plate cartilage measured by in vivo multiphoton microscopy

    PubMed Central

    Serrat, Maria A.; Williams, Rebecca M.; Farnum, Cornelia E.

    2009-01-01

    Solute delivery to avascular cartilaginous plates is critical to bone elongation, and impaired transport of nutrients and growth factors in cartilage matrix could underlie many skeletal abnormalities. Advances in imaging technology have revolutionized our ability to visualize growth plates in vivo, but quantitative methods are still needed. We developed analytical standards for measuring solute delivery, defined by amount and rate of intravenous tracer entry, in murine growth plates using multiphoton microscopy. We employed an acute temperature model because of its well-established impact on bone circulation and tested the hypothesis that solute delivery changes positively with limb temperature when body core and respiration are held constant (36°C, 120 breaths/min). Tibial growth plates were surgically exposed in anesthetized 5-wk-old mice, and their hindlimbs were immersed in warm (36°C) or cool (23°C) saline (n = 6/group). After 30 min of thermal equilibration, we administered an intracardiac injection of fluorescein (50 μl, 0.5%) and captured sequentially timed growth plate images spanning 10 min at standardized depth. Absolute growth plate fluorescence was normalized to vascular concentrations for interanimal comparisons. As predicted, more fluorescein infiltrated growth plates at 36°C, with standardized values nearly double those at 23°C. Changing initial limb temperature did not alter baseline values, suggesting a sustained response period. These data validate the sensitivity of our system and have relevance to strategies for enhancing localized delivery of therapeutic agents to growth plates of children. Applications of this technique include assessment of solute transport in models of growth plate dysfunction, particularly chondrodysplasias with matrix irregularities. PMID:19372302

  1. Demonstrating benthic control of anomalous solute transport: biofilm growth interacts with substrate size.

    NASA Astrophysics Data System (ADS)

    Aubeneau, A. F.; Tank, J. L.; Bolster, D.; Hanrahan, B.

    2014-12-01

    In fluvial systems, biofilms are the main driver of biogeochemical transformations. Biofilms grow on most surfaces in the benthic and hyporheic regions, where they process waterborne solutes. These solutes are transported in the regional flow and their fluxes near the biofilms are controlled by local physical properties, such as head gradients and hydraulic conductivity. These properties are in turn influenced by the growth of the biofilm itself, which can clog porous media and/or develop its own network of porous space. Therefore, the residence time of a solute in proximity to biofilm surfaces, where it can be processed, should be influenced by the properties not only of the physical environment, but by that of the biofilm itself. We hypothesized that the presence of biofilms would increase residence times in the benthic and shallow subsurface regions of the stream bed. We performed controlled experiments in 4 experimental streams at Notre Dame's Linked Experimental Ecosystem Facility (ND-LEEF) to quantify the interaction between substrate and biofilm in controlling anomalous solute transport. Each stream at ND-LEEF had a different substrate configuration: 2 with homogeneous substrate but with different sizes (pea gravel vs. coarse gravel) and 2 with heterogeneous substrate (alternating sections vs. well-mixed reaches). We measured the evolution of the residence time distributions in the streams by injecting rhodamine tracer (RWT) multiple times over the course of a 5 month colonization gradient. Analysis of breakthrough curves demonstrated that in addition to the influence of substrate, biofilm colonization and growth significantly influenced the residence time in the system. Specifically, as biofilms grew, the power-law exponent of the RTD decreased, i.e. the tails of the distributions became heavier, suggesting prolonged retention due to the presence of the biofilms. Although the substrate signature persisted over time, with the coarser gravel bed washing out

  2. A second order kinetic approach for modeling solute retention and transport in soils

    NASA Astrophysics Data System (ADS)

    Selim, H. M.; Amacher, M. C.

    1988-12-01

    We present a second-order kinetic approach for the description of solute retention during transport in soils. The basis for this approach is that it accounts for the sites on the soil matrix which are accessible for retention of the reactive solutes in solution. This approach was incorporated with the fully kinetic two-site model where the difference between the characteristics of the two types of sites is based on the rate of kinetic retention reactions. We also assume that the retention mechanisms are site-specific, e.g., the sorbed phase on type 1 sites may be characteristically different in their energy of reaction and/or the solute species from that on type 2 sites. The second-order two-site (SOTS) model was capable of describing the kinetic retention behavior of Cr(VI) batch data for Olivier, Windsor, and Cecil soils. Using independently measured parameters, the SOTS model was successful in predicting experimental Cr breakthrough curves (BTC's). The proposed second-order approach was also extended to the diffusion controlled mobile-immobile or two-region (SOMIM) model. The use of estimated parameters (e.g., the mobile water fraction and mass transfer coefficients) for the SOMIM model did not provide improved predictions of Cr BTC's in comparison to the SOTS model. The failure of the mobile-immobile model was attributed to the lack of nonequilibrium conditions for the two regions in these soils.

  3. Effect of surface charge of immortalized mouse cerebral endothelial cell monolayer on transport of charged solutes.

    PubMed

    Yuan, Wei; Li, Guanglei; Gil, Eun Seok; Lowe, Tao Lu; Fu, Bingmei M

    2010-04-01

    Charge carried by the surface glycocalyx layer (SGL) of the cerebral endothelium has been shown to significantly modulate the permeability of the blood-brain barrier (BBB) to charged solutes in vivo. The cultured monolayer of bEnd3, an immortalized mouse cerebral endothelial cell line, is becoming a popular in vitro BBB model due to its easy growth and maintenance of many BBB characteristics over repeated passages. To test whether the SGL of bEnd3 monolayer carries similar charge as that in the intact BBB and quantify this charge, which can be characterized by the SGL thickness (L(f)) and charge density (C(mf)), we measured the solute permeability of bEnd3 monolayer to neutral solutes and to solutes with similar size but opposite charges: negatively charged alpha-lactalbumin (-11) and positively charged ribonuclease (+3). Combining the measured permeability data with a transport model across the cell monolayer, we predicted the L(f) and the C(mf) of bEnd3 monolayer, which is approximately 160 nm and approximately 25 mEq/L, respectively. We also investigated whether orosomucoid, a plasma glycoprotein modulating the charge of the intact BBB, alters the charge of bEnd3 monolayer. We found that 1 mg/mL orosomucoid would increase SGL charge density of bEnd3 monolayer to approximately 2-fold of its control value.

  4. Water, solute and heat transport in the soil: the Australian connection

    NASA Astrophysics Data System (ADS)

    Knight, John

    2016-04-01

    The interest of Peter Raats in water, solute and heat transport in the soil has led to scientific and/or personal interactions with several Australian scientists such as John Philip, David Smiles, Greg Davis and John Knight. Along with John Philip and Robin Wooding, Peter was an early user of the Gardner (1958) linearised model of soil water flow, which brought him into competition with John Philip. I will discuss some of Peter's solutions relevant to infiltration from line and point sources, cavities and basins. A visit to Canberra, Australia in the early 1980s led to joint work on soil water flow, and on combined water and solute movement with David Smiles and others. In 1983 Peter was on the PhD committee for Greg Davis at the University of Wollongong, and some of the methods in his thesis 'Mathematical modelling of rate-limiting mechanisms of pyritic oxidation in overburden dumps' were later used by Peter's student Sjoerd van der Zee. David Smiles and Peter wrote a survey article 'Hydrology of swelling clay soils' in 2005. In the last decade Peter has been investigating the history of groundwater and vadose zone hydrology, and recently he and I have been bringing to light the largely forgotten work of Lewis Fry Richardson on finite difference solution of the heat equation, drainage theory, soil physics, and the soil-plant-atmosphere continuum.

  5. Using groundwater age distributions to estimate the effective parameters of Fickian and non-Fickian models of solute transport

    PubMed Central

    Engdahl, Nicholas B.; Ginn, Timothy R.; Fogg, Graham E.

    2015-01-01

    Groundwater age distributions are used to estimate the parameters of Fickian, and non-Fickian, effective models of solute transport. Based on the similarities between the transport and age equations, we develop a deconvolution based approach that describes transport between two monitoring wells. We show that the proposed method gives exact estimates of the travel time distribution between two wells when the domain is stationary and that the method still provides useful information on transport when the domain is non-stationary. The method is demonstrated using idealized uniform and layered 2-D aquifers. Homogeneous transport is determined exactly and non-Fickian transport in a layered aquifer was also approximated very well, even though this example problem is shown to be scale-dependent. This work introduces a method that addresses a significant limitation of tracer tests and non-Fickian transport modeling which is the difficulty in determining the effective parameters of the transport model. PMID:25821342

  6. Characterization of Anomalous Contaminant Transport via Push-Pull Tracer Tests

    NASA Astrophysics Data System (ADS)

    Hansen, S. K.; Vesselinov, V. V.; Berkowitz, B.

    2015-12-01

    Push-pull (single-well-injection-withdrawal) tracer tests are widely used as an economical means of characterizing field-scale solute transport properties such as sorption and dispersion. Typically, these are analyzed by means of analytic solutions that assume transport obeys the radial advection-dispersion equation. We revisit this approach as: (1) Recognition of the ubiquity of anomalous transport and its impact on contaminant remediation necessitates the use of new methods to characterize it, and (2) Improved computational power and numerical methods have rendered reliance on analytical solutions obsolete. Here, we present a technique for characterizing diffusion-driven anomalous transport (i.e., anomalous transport driven by a "trapping" process whose trapping and release statistics are independent of the groundwater flow velocity). Examples include diffusion into low permeability zones, kinetic sorption, and matrix diffusion. Using field observations, we simultaneously calibrate an exponential probability distribution for time spent on a single sojourn in the mobile domain and a truncated power law probability distribution for time spent on a single sojourn in the immobile domain via a stochastic global optimization technique. The calibrated distributions, being independent of the flow regime, are applicable to the same domain under any flow conditions, including linear flow. In the context of the continuous time random walk (CTRW), one may simply define a transition to represent a single trap-and-release cycle, and directly compute the spatiotemporal transition distribution that defines the CTRW from the two calibrated distributions and the local seepage velocity (so that existing CTRW transport theory applies). A test of our methodology against a push-pull test from the MADE site demonstrated fitting performance comparable to that of a 3-D MODFLOW/MT3DMS model with a variety of hydraulic conductivity zones and explicit treatment of mobile-immobile mass

  7. Electron transport and energy degradation in the ionosphere: Evaluation of the numerical solution, comparison with laboratory experiments and auroral observations

    NASA Technical Reports Server (NTRS)

    Lummerzheim, D.; Lilensten, J.

    1994-01-01

    Auroral electron transport calculations are a critical part of auroral models. We evaluate a numerical solution to the transport and energy degradation problem. The numerical solution is verified by reproducing simplified problems to which analytic solutions exist, internal self-consistency tests, comparison with laboratory experiments of electron beams penetrating a collision chamber, and by comparison with auroral observations, particularly the emission ratio of the N2 second positive to N2(+) first negative emissions. Our numerical solutions agree with range measurements in collision chambers. The calculated N(2)2P to N2(+)1N emission ratio is independent of the spectral characteristics of the incident electrons, and agrees with the value observed in aurora. Using different sets of energy loss cross sections and different functions to describe the energy distribution of secondary electrons that emerge from ionization collisions, we discuss the uncertainties of the solutions to the electron transport equation resulting from the uncertainties of these input parameters.

  8. Computer model of two-dimensional solute transport and dispersion in ground water

    USGS Publications Warehouse

    Konikow, Leonard F.; Bredehoeft, J.D.

    1978-01-01

    This report presents a model that simulates solute transport in flowing ground water. The model is both general and flexible in that it can be applied to a wide range of problem types. It is applicable to one- or two-dimensional problems involving steady-state or transient flow. The model computes changes in concentration over time caused by the processes of convective transport, hydrodynamic dispersion, and mixing (or dilution) from fluid sources. The model assumes that the solute is non-reactive and that gradients of fluid density, viscosity, and temperature do not affect the velocity distribution. However, the aquifer may be heterogeneous and (or) anisotropic. The model couples the ground-water flow equation with the solute-transport equation. The digital computer program uses an alternating-direction implicit procedure to solve a finite-difference approximation to the ground-water flow equation, and it uses the method of characteristics to solve the solute-transport equation. The latter uses a particle- tracking procedure to represent convective transport and a two-step explicit procedure to solve a finite-difference equation that describes the effects of hydrodynamic dispersion, fluid sources and sinks, and divergence of velocity. This explicit procedure has several stability criteria, but the consequent time-step limitations are automatically determined by the program. The report includes a listing of the computer program, which is written in FORTRAN IV and contains about 2,000 lines. The model is based on a rectangular, block-centered, finite difference grid. It allows the specification of any number of injection or withdrawal wells and of spatially varying diffuse recharge or discharge, saturated thickness, transmissivity, boundary conditions, and initial heads and concentrations. The program also permits the designation of up to five nodes as observation points, for which a summary table of head and concentration versus time is printed at the end of the

  9. The Major Facilitative Folate Transporters Solute Carrier 19A1 and Solute Carrier 46A1: Biology and Role in Antifolate Chemotherapy of Cancer

    PubMed Central

    Wilson, Mike R.; Hou, Zhanjun

    2014-01-01

    This review summarizes the biology of the major facilitative membrane transporters, the reduced folate carrier (RFC) (Solute Carrier 19A1) and the proton-coupled folate transporter (PCFT) (Solute Carrier 46A1). Folates are essential vitamins, and folate deficiency contributes to a variety of health disorders. RFC is ubiquitously expressed and is the major folate transporter in mammalian cells and tissues. PCFT mediates the intestinal absorption of dietary folates and appears to be important for transport of folates into the central nervous system. Clinically relevant antifolates for cancer, such as methotrexate and pralatrexate, are transported by RFC, and loss of RFC transport is an important mechanism of methotrexate resistance in cancer cell lines and in patients. PCFT is expressed in human tumors, and is active at pH conditions associated with the tumor microenvironment. Pemetrexed is an excellent substrate for both RFC and PCFT. Novel tumor-targeted antifolates related to pemetrexed with selective membrane transport by PCFT over RFC are being developed. In recent years, there have been major advances in understanding the structural and functional properties and the regulation of RFC and PCFT. The molecular bases for methotrexate resistance associated with loss of RFC transport and for hereditary folate malabsorption, attributable to mutant PCFT, were determined. Future studies should continue to translate molecular insights from basic studies of RFC and PCFT biology into new therapeutic strategies for cancer and other diseases. PMID:24396145

  10. The major facilitative folate transporters solute carrier 19A1 and solute carrier 46A1: biology and role in antifolate chemotherapy of cancer.

    PubMed

    Matherly, Larry H; Wilson, Mike R; Hou, Zhanjun

    2014-04-01

    This review summarizes the biology of the major facilitative membrane transporters, the reduced folate carrier (RFC) (Solute Carrier 19A1) and the proton-coupled folate transporter (PCFT) (Solute Carrier 46A1). Folates are essential vitamins, and folate deficiency contributes to a variety of health disorders. RFC is ubiquitously expressed and is the major folate transporter in mammalian cells and tissues. PCFT mediates the intestinal absorption of dietary folates and appears to be important for transport of folates into the central nervous system. Clinically relevant antifolates for cancer, such as methotrexate and pralatrexate, are transported by RFC, and loss of RFC transport is an important mechanism of methotrexate resistance in cancer cell lines and in patients. PCFT is expressed in human tumors, and is active at pH conditions associated with the tumor microenvironment. Pemetrexed is an excellent substrate for both RFC and PCFT. Novel tumor-targeted antifolates related to pemetrexed with selective membrane transport by PCFT over RFC are being developed. In recent years, there have been major advances in understanding the structural and functional properties and the regulation of RFC and PCFT. The molecular bases for methotrexate resistance associated with loss of RFC transport and for hereditary folate malabsorption, attributable to mutant PCFT, were determined. Future studies should continue to translate molecular insights from basic studies of RFC and PCFT biology into new therapeutic strategies for cancer and other diseases.

  11. Modeling coupled water flow, solute transport and geochemical reactions affecting heavy metal migration in a podzol soil

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Many or most subsurface pollution problems at the field scale involve such simultaneous processes as water flow, multicomponent solute transport, heat transport and biogeochemical processes and reactions. Process-based models that integrate these various processes can be valuable tools for investiga...

  12. Transportation Problems in Special Education Programs in Rural Areas - A Specific Solution and Some Suggestions for Delivery System Development.

    ERIC Educational Resources Information Center

    Brody, Z. H.

    The paper describes transportation problems encountered and solutions employed in delivering systems of comprehensive services to handicapped children in Anderson County, Tennessee, a predominantly rural area with considerable mountain area. Detailed are methods of transportation utilized in the four different program areas of the county special…

  13. A compartmentalized solute transport model for redox zones in contaminated aquifers--2, Field-scale simulations

    USGS Publications Warehouse

    Abrams , Robert H.; Loague, Keith

    2000-01-01

    This paper, the second of two parts [see Abrams and Loague, this issue], reports the field-scale application of COMPTRAN (compartmentalized solute transport model) for simulating the development of redox zones. COMPTRAN is fully developed and described in the companion paper. Redox zones, which are often delineated by the relative concentrations of dissolved oxygen, have been observed around the globe. The distribution of other redox-sensitive species is affected by redox zonation. At the U.S. Geological Survey's Cape Cod research site, an anoxic zone containing high concentrations of dissolved iron has been observed. Field data were abstracted from the Cape Cod site for the one-dimensional and two-dimensional COMPTRAN simulations reported in this paper. The purpose of the concept-development simulations was to demonstrate that the compartmentalized approach reported by Abrams et al. [1998] can be linked with a solute transport model to simulate field-scale phenomena. The results presented in this paper show that COMPTRAN successfully simulated the development of redox zones at the field scale, including trends in pH and alkalinity. Thermodynamic constraints were used to prevent lower-energy redox reactions from occurring under infeasible geochemical conditions without imposing equilibrium among all redox species. Empirical methods of reaction inhibition were not needed for the simulations conducted for this study. COMPTRAN can be extended easily to include additional compartments and reactions and is capable of handling complex velocity fields in more than one dimension.

  14. Solute and heat transport model of the Henry and hilleke laboratory experiment.

    PubMed

    Langevin, Christian D; Dausman, Alyssa M; Sukop, Michael C

    2010-01-01

    SEAWAT is a coupled version of MODFLOW and MT3DMS designed to simulate variable-density ground water flow and solute transport. The most recent version of SEAWAT, called SEAWAT Version 4, includes new capabilities to represent simultaneous multispecies solute and heat transport. To test the new features in SEAWAT, the laboratory experiment of Henry and Hilleke (1972) was simulated. Henry and Hilleke used warm fresh water to recharge a large sand-filled glass tank. A cold salt water boundary was represented on one side. Adjustable heating pads were used to heat the bottom and left sides of the tank. In the laboratory experiment, Henry and Hilleke observed both salt water and fresh water flow systems separated by a narrow transition zone. After minor tuning of several input parameters with a parameter estimation program, results from the SEAWAT simulation show good agreement with the experiment. SEAWAT results suggest that heat loss to the room was more than expected by Henry and Hilleke, and that multiple thermal convection cells are the likely cause of the widened transition zone near the hot end of the tank. Other computer programs with similar capabilities may benefit from benchmark testing with the Henry and Hilleke laboratory experiment.

  15. Solute and heat transport model of the Henry and Hilleke laboratory experiment

    USGS Publications Warehouse

    Langevin, C.D.; Dausman, A.M.; Sukop, M.C.

    2010-01-01

    SEAWAT is a coupled version of MODFLOW and MT3DMS designed to simulate variable-density ground water flow and solute transport. The most recent version of SEAWAT, called SEAWAT Version 4, includes new capabilities to represent simultaneous multispecies solute and heat transport. To test the new features in SEAWAT, the laboratory experiment of Henry and Hilleke (1972) was simulated. Henry and Hilleke used warm fresh water to recharge a large sand-filled glass tank. A cold salt water boundary was represented on one side. Adjustable heating pads were used to heat the bottom and left sides of the tank. In the laboratory experiment, Henry and Hilleke observed both salt water and fresh water flow systems separated by a narrow transition zone. After minor tuning of several input parameters with a parameter estimation program, results from the SEAWAT simulation show good agreement with the experiment. SEAWAT results suggest that heat loss to the room was more than expected by Henry and Hilleke, and that multiple thermal convection cells are the likely cause of the widened transition zone near the hot end of the tank. Other computer programs with similar capabilities may benefit from benchmark testing with the Henry and Hilleke laboratory experiment. Journal Compilation ?? 2009 National Ground Water Association.

  16. An algebraic factorisation scheme for spectral element solution of incompressible flow and scalar transport

    NASA Astrophysics Data System (ADS)

    Kim, Ho J.; Beskok, Ali

    2010-03-01

    A spectral element algorithm for solution of the unsteady incompressible Navier-Stokes and scalar (species/heat) transport equations is developed using the algebraic factorisation scheme. The new algorithm utilises Nth order Gauss-Lobatto-Legendre points for velocity and the scalar, while (N-2)th order Gauss-Legendre points are used for pressure. As a result, the algorithm does not require inter-element continuity for pressure and pressure boundary conditions on solid surfaces. Implementations of the algorithm are performed for conforming and non-conforming grids. The latter is accomplished using both the point-wise matching and integral projection methods, and applied for grids with both polynomial and geometric non-conformities. Code validation cases include the unsteady scalar convection equation, and Kovasznay flow in two- and three-dimensional domains. Using cases with analytical solutions, the algorithm is shown to achieve spectral accuracy in space and second-order accuracy in time. The results for the Boussinesq approximation for buoyancy-driven flows, and the species mixing in a continuous flow micro-mixer are also included as examples of applications that require long-time integration of the scalar transport equations.

  17. Transport properties in dilute UN (X ) solid solutions (X =Xe ,Kr )

    NASA Astrophysics Data System (ADS)

    Claisse, Antoine; Schuler, Thomas; Lopes, Denise Adorno; Olsson, Pär

    2016-11-01

    Uranium nitride (UN) is a candidate fuel for current GEN III fission reactors, for which it is investigated as an accident-tolerant fuel, as well as for future GEN IV reactors. In this study, we investigate the kinetic properties of gas fission products (Xe and Kr) in UN. Binding and migration energies are obtained using density functional theory, with an added Hubbard correlation to model f electrons, and the occupation matrix control scheme to avoid metastable states. These energies are then used as input for the self-consistent mean field method which enables to determine transport coefficients for vacancy-mediated diffusion of Xe and Kr on the U sublattice. The magnetic ordering of the UN structure is explicitly taken into account, for both energetic and transport properties. Solute diffusivities are compared with experimental measurements and the effect of various parameters on the theoretical model is carefully investigated. We find that kinetic correlations are very strong in this system, and that despite atomic migration anisotropy, macroscopic solute diffusivities show limited anisotropy. Our model indicates that the discrepancy between experimental measurements probably results from different irradiation conditions, and hence different defect concentrations.

  18. Field-scale experiments of unsaturated flow and solute transport in a heterogeneous porous medium

    NASA Astrophysics Data System (ADS)

    Nichol, Craig; Smith, Leslie; Beckie, Roger

    2005-05-01

    A multiyear flow and conservative tracer test has been carried out in unsaturated mine waste rock to examine the physical mechanisms by which water moves through this coarse, heterogeneous, granular material. The experimental system has a footprint of 8 m × 8 m, is 5 m high, and is built on a contiguous grid of 16 zero-tension lysimeters. A chloride tracer was applied during a single rainfall event. Subsequently, the system has been subject to both natural and applied rainfall events in which no further tracer was added. Water flow and tracer transport is monitored using in situ measurements of moisture content, matric suction, and soil water solution samplers. Results demonstrate for transient infiltration conditions the influence and interaction of matrix flow in a heterogeneous granular matrix, preferential flow in macropores, and noncapillary pathways. Tracer migration through preferential flow paths dominates the initial and peak breakthrough concentrations. Point measurements of tracer concentration from in situ solution samplers yield a relatively poor indication of the flux-averaged transport of mass that is recorded at the base of the experiment, in addition to overestimating the stored mass and underestimating residence time.

  19. An Integrated Numerical Hydrodynamic Shallow Flow-Solute Transport Model for Urban Area

    NASA Astrophysics Data System (ADS)

    Alias, N. A.; Mohd Sidek, L.

    2016-03-01

    The rapidly changing on land profiles in the some urban areas in Malaysia led to the increasing of flood risk. Extensive developments on densely populated area and urbanization worsen the flood scenario. An early warning system is really important and the popular method is by numerically simulating the river and flood flows. There are lots of two-dimensional (2D) flood model predicting the flood level but in some circumstances, still it is difficult to resolve the river reach in a 2D manner. A systematic early warning system requires a precisely prediction of flow depth. Hence a reliable one-dimensional (1D) model that provides accurate description of the flow is essential. Research also aims to resolve some of raised issues such as the fate of pollutant in river reach by developing the integrated hydrodynamic shallow flow-solute transport model. Presented in this paper are results on flow prediction for Sungai Penchala and the convection-diffusion of solute transports simulated by the developed model.

  20. A compartmentalized solute transport model for redox zones in contaminated aquifers: 2. Field-scale simulations

    NASA Astrophysics Data System (ADS)

    Abrams, Robert H.; Loague, Keith

    2000-08-01

    This paper, the second of two parts [see Abrams and Loague, this issue], reports the field-scale application of COMPTRAN (compartmentalized solute transport model) for simulating the development of redox zones. COMPTRAN is fully developed and described in the companion paper. Redox zones, which are often delineated by the relative concentrations of dissolved oxygen, have been observed around the globe. The distribution of other redox-sensitive species is affected by redox zonation. At the U.S. Geological Survey's Cape Cod research site, an anoxic zone containing high concentrations of dissolved iron has been observed. Field data were abstracted from the Cape Cod site for the one-dimensional and two-dimensional COMPTRAN simulations reported in this paper. The purpose of the concept-development simulations was to demonstrate that the compartmentalized approach reported by Abrams et al. [1998] can be linked with a solute transport model to simulate field-scale phenomena. The results presented in this paper show that COMPTRAN successfully simulated the development of redox zones at the field scale, including trends in pH and alkalinity. Thermodynamic constraints were used to prevent lower-energy redox reactions from occurring under infeasible geochemical conditions without imposing equilibrium among all redox species. Empirical methods of reaction inhibition were not needed for the simulations conducted for this study. COMPTRAN can be extended easily to include additional compartments and reactions and is capable of handling complex velocity fields in more than one dimension.

  1. Sediment and solute transport in a mountainous watershed in Valle del Cauca, Colombia

    NASA Astrophysics Data System (ADS)

    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.

  2. Submarine groundwater discharge and solute transport under a transgressive barrier island

    NASA Astrophysics Data System (ADS)

    Evans, Tyler B.; Wilson, Alicia M.

    2017-04-01

    Many recent investigations of groundwater dynamics in beaches employed groundwater models that assumed isotropic, numerically-convenient hydrogeological conditions. Real beaches exhibit local variability with respect to stratigraphy, sediment grain size and associated topographic profile, so that groundwater flow may diverge significantly from idealized models. We used a combination of hydrogeologic field methods and a variable-density, saturated-unsaturated, transient groundwater flow model to investigate SGD and solute transport under Cabretta Beach, a small transgressive barrier island seaward of Sapelo Island, Georgia. We found that the inclusion of real beach heterogeneity drove important deviations from predictions based on theoretical beaches. Cabretta Beach sustained a stronger upper saline plume than predicted due to the presence of a buried silty mud layer beneath the surface. Infiltration of seawater was greater for neap tides than for spring tides due to variations in beach slope. The strength of the upper saline plume was greatest during spring tides, contrary to recent model predictions. The position and width of the upper saline plume was highly dynamic through the lunar cycle. Our results suggest that field measurements of salinity gradients may be useful for estimating rates of tidally and density driven recirculation through the beach. Finally, our results indicate that several important biogeochemical cycles recently studied at Cabretta Beach were heavily influenced by groundwater flow and associated solute transport.

  3. Large-scale modeling of reactive solute transport in fracture zones of granitic bedrocks.

    PubMed

    Molinero, Jorge; Samper, Javier

    2006-01-10

    Final disposal of high-level radioactive waste in deep repositories located in fractured granite formations is being considered by several countries. The assessment of the safety of such repositories requires using numerical models of groundwater flow, solute transport and chemical processes. These models are being developed from data and knowledge gained from in situ experiments such as the Redox Zone Experiment carried out at the underground laboratory of Aspö in Sweden. This experiment aimed at evaluating the effects of the construction of the access tunnel on the hydrogeological and hydrochemical conditions of a fracture zone intersected by the tunnel. Most chemical species showed dilution trends except for bicarbonate and sulphate which unexpectedly increased with time. Molinero and Samper [Molinero, J. and Samper, J. Groundwater flow and solute transport in fracture zones: an improved model for a large-scale field experiment at Aspö (Sweden). J. Hydraul. Res., 42, Extra Issue, 157-172] presented a two-dimensional water flow and solute transport finite element model which reproduced measured drawdowns and dilution curves of conservative species. Here we extend their model by using a reactive transport which accounts for aqueous complexation, acid-base, redox processes, dissolution-precipitation of calcite, quartz, hematite and pyrite, and cation exchange between Na+ and Ca2+. The model provides field-scale estimates of cation exchange capacity of the fracture zone and redox potential of groundwater recharge. It serves also to identify the mineral phases controlling the solubility of iron. In addition, the model is useful to test the relevance of several geochemical processes. Model results rule out calcite dissolution as the process causing the increase in bicarbonate concentration and reject the following possible sources of sulphate: (1) pyrite dissolution, (2) leaching of alkaline sulphate-rich waters from a nearby rock landfill and (3) dissolution of

  4. Investigating the impact of advective and diffusive controls in solute transport on geoelectrical data

    NASA Astrophysics Data System (ADS)

    Wheaton, Daniel D.; Singha, Kamini

    2010-09-01

    Multiple types of physical heterogeneity have been suggested to explain anomalous solute transport behavior, yet determining exactly what controls transport at a given site is difficult from concentration histories alone. Differences in timing between co-located fluid and bulk apparent electrical conductivity data have previously been used to estimate solute mass transfer rates between mobile and less-mobile domains; here, we consider if this behavior can arise from other types of heterogeneity. Numerical models are used to investigate the electrical signatures associated with large-scale hydraulic conductivity heterogeneity and small-scale dual-domain mass transfer, and address issues regarding the scale of the geophysical measurement. We examine the transport behavior of solutes with and without dual-domain mass transfer, in: 1) a homogeneous medium, 2) a discretely fractured medium, and 3) a hydraulic conductivity field generated with sequential Gaussian simulation. We use the finite-element code COMSOL Multiphysics to construct two-dimensional cross-sectional models and solve the coupled flow, transport, and electrical conduction equations. Our results show that both large-scale heterogeneity and subscale heterogeneity described by dual-domain mass transfer produce a measurable hysteresis between fluid and bulk apparent electrical conductivity, indicating a lag between electrical conductivity changes in the mobile and less-mobile domains of an aquifer, or mass transfer processes, at some scale. The shape and magnitude of the observed hysteresis is controlled by the spatial distribution of hydraulic heterogeneity, mass transfer rate between domains, and the ratio of mobile to immobile porosity. Because the rate of mass transfer is related to the inverse square of a diffusion length scale, our results suggest that the shape of the hysteresis curve is indicative of the length scale over which mass transfer is occurring. We also demonstrate that the difference in

  5. Determining rates of chemical weathering in soils - Solute transport versus profile evolution

    USGS Publications Warehouse

    Stonestrom, D.A.; White, A.F.; Akstin, K.C.

    1998-01-01

    SiO2 fluxes associated with contemporary solute transport in three deeply weathered granitoid profiles are compared to bulk SiO2 losses that have occurred during regolith development. Climates at the three profiles range from Mediterranean to humid to tropical. Due to shallow impeding alluvial layers at two of the profiles, and seasonally uniform rainfall at the third, temporal variations in hydraulic and chemical state variables are largely attenuated below depths of 1-2 m. This allows current SiO2 fluxes below the zone of seasonal variations to be estimated from pore-water concentrations and average hydraulic flux densities. Mean-annual SiO2 concentrations were 0.1-1.5 mM. Hydraulic conductivities for the investigated range of soil-moisture saturations ranged from 10-6 m s-1. Estimated hydraulic flux densities for quasi-steady portions of the profiles varied from 6 x 10-9 to 14 x 10-9 m s-1 based on Darcy's law and field measurements of moisture saturations and pressure heads. Corresponding fluid-residence times in the profiles ranged from 10 to 44 years. Total SiO2 losses, based on chemical and volumetric changes in the respective profiles, ranged from 19 to 110 kmoles SiO2 m-2 of land surface as a result of 0.2-0.4 Ma of chemical weathering. Extrapolation of contemporary solute fluxes to comparable time periods reproduced these SiO2 losses to about an order of magnitude. Despite the large range and non-linearity of measured hydraulic conductivities, solute transport rates in weathering regoliths can be estimated from characterization of hydrologic conditions at sufficiently large depths. The agreement suggests that current weathering rates are representative of long-term average weathering rates in the regoliths.SiO2 fluxes associated with contemporary solute transport in three deeply weathered granitoid profiles are compared to bulk SiO2 losses during regolith development. Due to shallow impeding alluvial layers at two of the profiles, and seasonally uniform

  6. Concentration statistics of solute transport for the near field zone of an estuary

    NASA Astrophysics Data System (ADS)

    Galesic, Morena; Andricevic, Roko; Gotovac, Hrvoje; Srzic, Veljko

    2016-08-01

    Rivers are considered as one of the most influential hydrological pathways for the waterborne transport and therefore estuaries are critical areas for a pollution hazard that might lead to eutrophication and general water quality deterioration. This paper is investigating the near field mixing in the estuary as the result of a combination of small scale turbulent diffusion and a larger scale variation of the advective mean velocities. In this work concentration moments were developed directly from the fundamental advection-diffusion equation for the case of continuous, steady, conservative solute transport with the dominant stream flow mean velocity. The concentration statistics were developed considering depth integrated velocity field with mean velocity attenuation due to the wind induced currents and sea tides. In order to perform further studies of developed concentration moments, a set of velocity measurements in the local river Žrnovnica estuary near Split, Croatia, was conducted and numerical random walk particle tracking model was used to run the transport simulations based on measured velocity fields. The numerical model has confirmed quantitatively first two concentration moments, which are utilized to calculate the point concentration probability density function (pdf) often needed to assess the risk of exceeding the allowed concentration values in the estuary.

  7. Ovariectomy Enhances Mechanical Load-Induced Solute Transport around Osteocytes in Rat Cancellous Bone

    PubMed Central

    Ciani, Cesare; Sharma, Divya; Doty, Stephen B.; Fritton, Susannah P.

    2014-01-01

    To test if osteoporosis alters mechanical load-induced interstitial fluid flow in bone, this study examined the combined effect of estrogen deficiency and external loading on solute transport around osteocytes. An in vivo tracer, FITC-labeled bovine serum albumin, was injected into anaesthetized ovariectomized and control female Sprague Dawley rats before the right tibia was subjected to a controlled, physiological, non-invasive sinusoidal load to mimic walking. Tracer movement through the lacunar-canalicular system surrounding osteocytes was quantified in cortical and cancellous bone from the proximal tibia using confocal microscopy, with the non-loaded tibia serving as internal control. Overall, the application of mechanical loading increased the percentage of osteocyte lacunae labeled with injected tracer, and ovariectomy further enhanced movement of tracer. An analysis of separate regions demonstrated that ovariectomy enhanced in vivo transport of the injected tracer in the cancellous bone of the tibial epiphysis and metaphysis but not in the cortical bone of the metaphysis. These findings show that bone changes due to reduced estrogen levels alter convectional transport around osteocytes in cancellous bone and demonstrate a functional difference of interstitial fluid flow around osteocytes in estrogen-deficient rats undergoing the same physical activity as controls. The altered interstitial fluid flow around osteocytes is likely related to nanostructural matrix-mineral level differences recently demonstrated at the lacunar-canalicular surface of estrogen-deficient rats, which could affect the transmission of mechanical loads to the osteocyte. PMID:24316418

  8. Coupled turbulent flow, heat, and solute transport in continuous casting processes

    NASA Astrophysics Data System (ADS)

    Aboutalebi, M. Reza; Hasan, M.; Guthrie, R. I. L.

    1995-08-01

    A fully coupled fluid flow, heat, and solute transport model was developed to analyze turbulent flow, solidification, and evolution of macrosegregation in a continuous billet caster. Transport equations of total mass, momentum, energy, and species for a binary iron-carbon alloy system were solved using a continuum model, wherein the equations are valid for the solid, liquid, and mushy zones in the casting. A modified version of the low-Reynolds number k-ɛ model was adopted to incorporate turbulence effects on transport processes in the system. A control-volume-based finite-difference procedure was employed to solve the conservation equations associated with appropriate boundary conditions. Because of high nonlinearity in the system of equations, a number of techniques were used to accelerate the convergence process. The effects of the parameters such as casting speed, steel grade, nozzle configuration on flow pattern, solidification profile, and carbon segregation were investigated. From the computed flow pattern, the trajectory of inclusion particles, as well as the density distribution of the particles, was calculated. Some of the computed results were compared with available experimental measurements, and reasonable agreements were obtained.

  9. Quantum dynamics in continuum for proton transport II: Variational solvent-solute interface.

    PubMed

    Chen, Duan; Chen, Zhan; Wei, Guo-Wei

    2012-01-01

    Proton transport plays an important role in biological energy transduction and sensory systems. Therefore, it has attracted much attention in biological science and biomedical engineering in the past few decades. The present work proposes a multiscale/multiphysics model for the understanding of the molecular mechanism of proton transport in transmembrane proteins involving continuum, atomic, and quantum descriptions, assisted with the evolution, formation, and visualization of membrane channel surfaces. We describe proton dynamics quantum mechanically via a new density functional theory based on the Boltzmann statistics, while implicitly model numerous solvent molecules as a dielectric continuum to reduce the number of degrees of freedom. The density of all other ions in the solvent is assumed to obey the Boltzmann distribution in a dynamic manner. The impact of protein molecular structure and its charge polarization on the proton transport is considered explicitly at the atomic scale. A variational solute-solvent interface is designed to separate the explicit molecule and implicit solvent regions. We formulate a total free-energy functional to put proton kinetic and potential energies, the free energy of all other ions, and the polar and nonpolar energies of the whole system on an equal footing. The variational principle is employed to derive coupled governing equations for the proton transport system. Generalized Laplace-Beltrami equation, generalized Poisson-Boltzmann equation, and generalized Kohn-Sham equation are obtained from the present variational framework. The variational solvent-solute interface is generated and visualized to facilitate the multiscale discrete/continuum/quantum descriptions. Theoretical formulations for the proton density and conductance are constructed based on fundamental laws of physics. A number of mathematical algorithms, including the Dirichlet-to-Neumann mapping, matched interface and boundary method, Gummel iteration, and Krylov

  10. Low-density lipoprotein transport through an arterial wall under hyperthermia and hypertension conditions--An analytical solution.

    PubMed

    Iasiello, Marcello; Vafai, Kambiz; Andreozzi, Assunta; Bianco, Nicola

    2016-01-25

    An analytical solution for Low-Density Lipoprotein transport through an arterial wall under hyperthermia conditions is established in this work. A four-layer model is used to characterize the arterial wall. Transport governing equations are obtained as a combination between Staverman-Kedem-Katchalsky membrane equations and volume-averaged porous media equations. Temperature and solute transport fields are coupled by means of Ludwig-Soret effect. Results are in excellent agreement with numerical and analytical literature data under isothermal conditions, and with numerical literature data for the hyperthermia case. Effects of hypertension combined with hyperthermia, are also analyzed in this work.

  11. Geomorphic and substrate controls on spatial variability in river solute transport and biogeochemical cycling

    NASA Astrophysics Data System (ADS)

    Blaen, Phillip; Kurz, Marie; Knapp, Julia; Mendoza-Lera, Clara; Lee-Cullin, Joe; Klaar, Megan; Drummond, Jen; Jaeger, Anna; Zarnetske, Jay; Lewandowski, Joerg; Marti, Eugenia; Ward, Adam; Fleckenstein, Jan; Datry, Thibault; Larned, Scott; Krause, Stefan

    2016-04-01

    Nutrient concentrations in surface waters and groundwaters are increasing in many agricultural catchments worldwide as a result of anthropogenic activities. Increasing geomorphological heterogeneity in river channels may help to attenuate nutrient pollution by facilitating water exchange fluxes with the hyporheic zone; a site of intense microbial activity where biogeochemical transformation rates (e.g. denitrification) can be high. However, the controls on spatial variability in biogeochemical cycling, particularly at scales relevant for river managers, are not well understood. Here, we aimed to assess: 1) how differences in geomorphological heterogeneity control river solute transport and rates of biogeochemical cycling at sub-reach scales (102 m); and 2) the relative magnitude of these differences versus those relating to reach scale substrate variability (103 m). We used the reactive 'smart' tracer resazurin (Raz), a weakly fluorescent dye that transforms to highly fluorescent resorufin (Rru) under mildly reducing conditions, as a proxy to assess rates of biogeochemical cycling in a lowland river in southern England. Solute tracer tests were conducted in two reaches with contrasting substrates: one sand-dominated and the other gravel-dominated. Each reach was divided into sub-reaches that varied in geomorphic complexity (e.g. by the presence of pool-riffle sequences or the abundance of large woody debris). Slug injections of Raz and the conservative tracer fluorescein were conducted in each reach during baseflow conditions (Q ≈ 80 L/s) and breakthrough curves monitored using in-situ fluorometers. Preliminary results indicate overall Raz:Rru transformation rates in the gravel-dominated reach were more than 50% higher than those in the sand-dominated reach. However, high sub-reach variability in Raz:Rru transformation rates and conservative solute transport parameters suggests small-scale targeted management interventions to alter geomorphic heterogeneity may be

  12. Properties of bubbled gases transportation in a bromothymol blue aqueous solution under gradient magnetic fields

    NASA Astrophysics Data System (ADS)

    Iwasaka, M.; Kurita, S.; Owada, N.

    2012-04-01

    A new system for the observation of the transport process of dissolved oxygen and carbon-dioxide gases is proposed that utilizes a water-containing column with an optical monitoring unit under gradient magnetic fields of up to 5 T. The system consists of a column for liquid chromatography with "branching flow" tubing at the center of a vertical bore of a superconducting magnet of 5 T. By utilizing bromothymol blue (BTB) as a CO2 concentration indicator, CO2 concentration in the bifurcated liquid stream from the gradient magnetic fields was measured by a time-resolved spectrophotometer in the range of 550 nm-660 nm. The results indicated that the gradient magnetic fields of up to 5 T accelerated the pushing-out of the CO2-rich BTB solution from the branched inlet of the column. Comparing the effects of O2-gas bubbling with He-gas bubbling, it was found that the oxygen gases dissolved in a BTB aqueous solution controlled the transport of CO2 gases in the solution under gradient magnetic fields of up to 5 T. By monitoring the chromatogram pattern of oxygen-gas-bubbled water flow in a straight flow system at the UV band, it was indicated that the paramagnetic oxygen-gas-bubbles stay longer in the magnetic field center of the magnet. The proposed method with the branch flow can enhance the condensation of carbon dioxide gases in a room temperature liquid by the assistance of oxygen-gas in water under gradient magnetic fields of up to 5 T.

  13. Cyclic Deformation-Induced Solute Transport in Tissue Scaffolds with Computer Designed, Interconnected, Pore Networks: Experiments and Simulations

    PubMed Central

    Op Den Buijs, Jorn; Dragomir-Daescu, Dan; Ritman, Erik L.

    2014-01-01

    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. PMID:19466547

  14. Transport in very dilute solutions of 3He in superfluid 4He

    NASA Astrophysics Data System (ADS)

    Baym, Gordon; Beck, D. H.; Pethick, C. J.

    2013-07-01

    Motivated by a proposed experimental search for the electric dipole moment of the neutron (nEDM) utilizing neutron-3He capture in a dilute solution of 3He in superfluid 4He, we derive the transport properties of dilute solutions in the regime where the 3He are classically distributed and rapid 3He-3He scatterings keep the 3He in equilibrium. Our microscopic framework takes into account phonon-phonon, phonon-3He, and 3He-3He scatterings. We then apply these calculations to measurements by Rosenbaum [J. Low Temp. Phys.JLTPAC0022-229110.1007/BF00655864 16, 131 (1974)] and by Lamoreaux [Europhys. Lett.EULEEJ0295-507510.1209/epl/i2002-00408-4 58, 718 (2002)] of dilute solutions in the presence of a heat flow. We find satisfactory agreement of theory with the data, serving to confirm our understanding of the microscopics of the helium in the future nEDM experiment.

  15. A Solution Methodology and Computer Program to Efficiently Model Thermodynamic and Transport Coefficients of Mixtures

    NASA Technical Reports Server (NTRS)

    Ferlemann, Paul G.

    2000-01-01

    A solution methodology has been developed to efficiently model multi-specie, chemically frozen, thermally perfect gas mixtures. The method relies on the ability to generate a single (composite) set of thermodynamic and transport coefficients prior to beginning a CFD solution. While not fundamentally a new concept, many applied CFD users are not aware of this capability nor have a mechanism to easily and confidently generate new coefficients. A database of individual specie property coefficients has been created for 48 species. The seven coefficient form of the thermodynamic functions is currently used rather then the ten coefficient form due to the similarity of the calculated properties, low temperature behavior and reduced CPU requirements. Sutherland laminar viscosity and thermal conductivity coefficients were computed in a consistent manner from available reference curves. A computer program has been written to provide CFD users with a convenient method to generate composite specie coefficients for any mixture. Mach 7 forebody/inlet calculations demonstrated nearly equivalent results and significant CPU time savings compared to a multi-specie solution approach. Results from high-speed combustor analysis also illustrate the ability to model inert test gas contaminants without additional computational expense.

  16. Water flow and multicomponent solute transport in drip-irrigated lysimeters

    NASA Astrophysics Data System (ADS)

    Raij, Iael; Šimûnek, Jiří; Ben-Gal, Alon; Lazarovitch, Naftali

    2016-08-01

    Controlled experiments and modeling are crucial components in the evaluation of the fate of water and solutes in environmental and agricultural research. Lysimeters are commonly used to determine water and solute balances and assist in making sustainable decisions with respect to soil reclamation, fertilization, or irrigation with low-quality water. While models are cost-effective tools for estimating and preventing environmental damage by agricultural activities, their value is highly dependent on the accuracy of their parameterization, often determined by calibration. The main objective of this study was to use measured major ion concentrations collected from drip-irrigated lysimeters to calibrate the variably saturated water flow model HYDRUS (2D/3D) coupled with the reactive transport model UNSATCHEM. Irrigation alternated between desalinated and brackish waters. Lysimeter drainage and soil solution samples were collected for chemical analysis and used to calibrate the model. A second objective was to demonstrate the potential use of the calibrated model to evaluate lower boundary design options of lysimeters with respect to leaching fractions determined using drainage water fluxes, chloride concentrations, and overall salinity of drainage water, and exchangeable sodium percentage (ESP) in the profile. The model showed that, in the long term, leaching fractions calculated with electrical conductivity values would be affected by the lower boundary condition pressure head, while those calculated with chloride concentrations and water fluxes would not be affected. In addition, clear dissimilarities in ESP profiles were found between lysimeters with different lower boundary conditions, suggesting a potential influence on hydraulic conductivities and flow patterns.

  17. The next generation in optical transport semiconductors: IC solutions at the system level

    NASA Astrophysics Data System (ADS)

    Gomatam, Badri N.

    2005-02-01

    In this tutorial overview, we survey some of the challenging problems facing Optical Transport and their solutions using new semiconductor-based technologies. Advances in 0.13um CMOS, SiGe/HBT and InP/HBT IC process technologies and mixed-signal design strategies are the fundamental breakthroughs that have made these solutions possible. In combination with innovative packaging and transponder/transceiver architectures IC approaches have clearly demonstrated enhanced optical link budgets with simultaneously lower (perhaps the lowest to date) cost and manufacturability tradeoffs. This paper will describe: *Electronic Dispersion Compensation broadly viewed as the overcoming of dispersion based limits to OC-192 links and extending link budgets, *Error Control/Coding also known as Forward Error Correction (FEC), *Adaptive Receivers for signal quality monitoring for real-time estimation of Q/OSNR, eye-pattern, signal BER and related temporal statistics (such as jitter). We will discuss the theoretical underpinnings of these receiver and transmitter architectures, provide examples of system performance and conclude with general market trends. These Physical layer IC solutions represent a fundamental new toolbox of options for equipment designers in addressing systems level problems. With unmatched cost and yield/performance tradeoffs, it is expected that IC approaches will provide significant flexibility in turn, for carriers and service providers who must ultimately manage the network and assure acceptable quality of service under stringent cost constraints.

  18. Solute transport characterization in karst aquifers by tracer injection tests for a sustainable water resource management

    NASA Astrophysics Data System (ADS)

    Morales, T.; Angulo, B.; Uriarte, J. A.; Olazar, M.; Arandes, J. M.; Antiguedad, I.

    2017-04-01

    Protection of water resources is a major challenge today, given that territory occupation and land use are continuously increasing. In the case of karst aquifers, its dynamic complexity requires the use of specific methodologies that allow establishing local and regional flow and transport patterns. This information is particularly necessary when springs and wells harnessed for water supply are concerned. In view of the present state of the art, this work shows a new approach based on the use of a LiCl based tracer injection test through a borehole for transport characterization from a local to a regional scale. Thus a long term tracer injection test was conducted in a particularly sensitive sector of the Egino karst massif (Basque Country, Spain). The initial displacement of tracer in the vicinity of the injection was monitored in a second borehole at a radial distance of 10.24 m. This first information, assessed by a radial divergent model, allows obtaining transport characteristic parameters in this immediate vicinity during injection. At a larger (regional) scale, the tracer reaches a highly transmissive network with mean traveling velocities to the main springs being from 4.3 to 13.7 m/h. The responses obtained, particularly clear in the main spring used for water supply, and the persistence of part of the tracer in the injection zone, pose reconsidering the need for their protection. Thus, although the test allows establishing the 24-h isochrone, which is the ceiling value in present European vulnerability approaches, the results obtained advise widening the zone to protect in order to guarantee water quality in the springs. Overall, this stimulus-response test allows furthering the knowledge on the dynamics of solute transport in karst aquifers and is a particularly useful tool in studies related to source vulnerability and protection in such a complex medium.

  19. A Dual Model-Reduction Approach to Groundwater Flow and Solute Transport Simulations.

    NASA Astrophysics Data System (ADS)

    Stanko, Z.; Boyce, S. E.; Yeh, W. W. G.

    2014-12-01

    Mathematical-model reduction using singular value decomposition (SVD) has been shown to be an effective method for reducing the computer runtime of linear and nonlinear groundwater-flow models without sacrificing accuracy. The discrete empirical interpolation method (DEIM) is an alternate method of model reduction better suited for nonlinear systems. In this research, both methods are applied simultaneously to reduce the dimensionality of a 3-D unconfined groundwater-flow model: SVD to reduce the column space and DEIM to reduce the row space. The results of the dimensional reduction can approach several orders of magnitude, resulting in significantly faster simulation runtimes. The implementation and benefit of SVD/DEIM model reduction is demonstrated through its application to a synthetic, groundwater-flow and solute-transport model with groundwater extraction wells that influence of seawater intrusion. The developed methodology identifies the dominant locations (i.e. the discrete points) of the model that have the most influence on the water levels and saltwater concentrations. The result is a reduced model constructed from fewer equations (row dimension) and is projected into a reduced subspace (column dimension). The methodology first independently constructs the reduced flow and transport models such that their errors are minimized for a flow-only model and transport-only model, respectively. Once the two reduced models have been established, a density-dependent flow simulation is preformed by iterating between the flow and transport models for each time step. Further analysis of the SVD/DEIM method illustrates the tradeoff between magnitude of the reduced dimension and corresponding errors in model output, with respect to the unreduced and independently reduced models. The application of this method shows that runtime can be significantly decreased for models of this type while still maintaining control of desired model accuracy.

  20. Reactive solute transport in streams. 2. Simulation of a pH modification experiment

    USGS Publications Warehouse

    Runkel, R.L.; McKnight, Diane M.; Bencala, K.E.; Chapra, S.C.

    1996-01-01

    We present an application of an equilibrium-based solute transport model to a pH-modification experiment conducted on the Snake River, an acidic, metal-rich stream located in the Rocky Mountains of Colorado. During the experiment, instream pH decreased from 4.2 to 3.2, causing a marked increase in dissolved iron concentrations. Model application requires specification of several parameters that are estimated using tracer techniques, mass balance calculations, and geochemical data. Two basic questions are addressed through model application: (1) What are the processes responsible for the observed increase in dissolved iron concentrations? (2) Can the identified processes be represented within the equilibrium-based transport model? Simulation results indicate that the increase in iron was due to the dissolution of hydrous iron oxides and the photoreduction of ferric iron. Dissolution from the streambed is represented by considering a trace compartment consisting of freshly precipitated hydrous iron oxide and an abundant compartment consisting of aged precipitates that are less soluble. Spatial variability in the solubility of hydrous iron oxide is attributed to heterogeneity in the streambed sediments, temperature effects, and/or variability in the effects of photoreduction. Solubility products estimated via simulation fall within a narrow range (pK(sp) from 40.2 to 40.8) relative to the 6 order of magnitude variation reported for laboratory experiments (pK(sp) from 37.3 to 43.3). Results also support the use of an equilibrium-based transport model as the predominate features of the iron and p H profiles are reproduced. The model provides a valuable tool for quantifying the nature and extent of pH- dependent processes within the context of hydrologic transport.

  1. Probing liquation cracking and solidification through modeling of momentum, heat, and solute transport during welding of aluminum alloys

    NASA Astrophysics Data System (ADS)

    Mishra, S.; Chakraborty, S.; DebRoy, T.

    2005-05-01

    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.

  2. Analytical solution to transport in three-dimensional heterogeneous well capture zones.

    PubMed

    Indelman, P; Lessoff, S C; Dagan, G

    2006-09-10

    Solute transport is investigated in a heterogeneous aquifer for combined natural-gradient and well flows. The heterogeneity is associated with the spatially varying hydraulic conductivity K(x, y, z), which is modelled as a log-normal stationary-random function. As such, the conductivity distribution is characterized by four parameters: the arithmetic mean K(A), the variance sigma(Y)(2) (Y=lnK), the horizontal integral scale I of the axisymmetric log-conductivity autocorrelation and the anisotropy ratio e=I(v)/I (I(v) is the vertical integral scale). The well fully penetrates an aquifer of constant thickness B and has given constant discharge QB, while the background aquifer flow is driven by an uniform mean head-gradient, - J. Therefore, for a medium of homogeneous conductivity K(A), the steady-state capture zone has a width 2L=Q/(K(A)|J|) far from the well (herein the term capture zone is used to refer both to the zone from which water is captured by a pumping well and the zone that captures fluid from an injecting well). The main aim is to determine the mean concentration as a function of time in fluid recovered by a pumping well or in a control volume of the aquifer that captures fluid from an injecting well. Relatively simple solutions to these complex problems are achieved by adopting a few assumptions: a thick aquifer B>I(v) of large horizontal extent (so that boundary effects may be neglected), weak heterogeneity sigma(Y)(2)<1, a highly anisotropic formation e<0.2 and neglect of pore-scale dispersion. Transport is analyzed to the first-order in sigma(Y)(2) in terms of the travel time of particles moving from or towards the well along the steady streamlines within the capture zone. Travel-time mean and variance to any point are computed by two quadratures for an exponential log-conductivity two-point covariance. Spreading is reflected by the variance value, which increases with sigma(Y)(2) and I/L. For illustration, the procedure is applied to two particular

  3. Longevity of granular iron in groundwater treatment processes: changes in solute transport properties over time.

    PubMed

    Vikesland, Peter J; Klausen, Jörg; Zimmermann, Hubert; Roberts, A Lynn; Ball, William P

    2003-06-01

    Although progress has been made toward understanding the surface chemistry of granular iron and the mechanisms through which it attenuates groundwater contaminants, potential long-term changes in the solute transport properties of granular iron media have until now received relatively little attention. As part of column investigations of alterations in the reactivity of granular iron, studies using tritiated water (3H(2)O) as a conservative and non-partitioning tracer were periodically conducted to independently isolate transport-related effects on performance from those more directly related to surface reactivity. Hydraulic residence time distributions (HRTDs) within each of six 39-cm columns exposed to bicarbonate solutions were obtained over the course of 1100 days of operation. First moment analyses of the data revealed generally modest increases in mean pore water velocity (v) over time, indicative of decreasing water-filled porosity. Gravimetric measurements provided independent estimates of water-filled porosity that were initially consistent with those obtained from 3H(2)O tracer tests, although at later times, porosities derived from gravimetric measurements deviated from the tracer test results owing to mineral precipitation. The combination of gravimetric measurements and 3H(2)O tracer studies furnished estimates of precipitated mineral mass; depending on the assumed identity of the predominant mineral phase(s), the porosity decrease associated with solute precipitation amounted to 6-24% of the initial porosity. The accumulation of mineral and gas phases led to the formation of regions of immobile water and increased spreading of the tracer pulse. Application of a dual-region transport model to the 3H(2)O breakthrough curves revealed that the immobile water-filled region increased from initially negligible values to amounts ranging between 3% and 14% of the total porosity in later periods of operation. For the aged columns, mobile-immobile mass transfer

  4. Effects of Solution Chemistry on Quantum Dot Transport and Retention in Porous Media

    NASA Astrophysics Data System (ADS)

    Englehart, J.; Wang, Y.; Zhu, H.; Colvin, V. L.; Pennell, K. D.

    2010-12-01

    Engineered nanomaterials with tunable surface chemistries, such as quantum dots, are becoming increasingly prevalent in commercial and medical applications. This increase in usage corresponds to an elevated risk of environmental exposures, and limited data are available on the fate and transport of quantum dots in the environment. The objective of this study was to quantify quantum dot transport and retention behavior under a variety of solution chemistries and in the presence of a non-aqueous phase liquid (NAPL) phase. The quantum dots were prepared with a CdSe/CdZnS core/shell that was coated with an amphiphilic copolymer. The primary quantum dot coating used in this study was octylamine modified polyacrylic acid, which yields a negative surface charge (zeta potential) ranging from -30 to -40 mV in water. The mean diameter of the quantum dots in deionized water ranged from 20-30 nm based on dynamic light scattering (DLS) analysis. Higher salt concentrations, ranging from 3 to 1000 mM NaCl, resulted in increased diameters of the quantum dots (28 to 190 nm, respectively). Transport and retention behavior of the quantum dots was evaluated using borosilicate glass columns (2.5 cm i.d. x 10 cm length) packed with 40-50 mesh (d50 = 355 µm) Ottawa sand that had been completely saturated with water. A pulse (ca. 60mL) of quantum dot suspension was introduced to the column at a flow rate of 1mL/min (pore-water velocity of 8m/d), followed by three pore volumes of particle-free solution. To evaluate effects of the presence of a NAPL phase, a uniform distribution of residual NAPL (Soltrol 220) was established prior to the quantum dot pulse injection. Concentrations of quantum dots in the column effluent and extracted from solid samples, quantified using an Inductively Coupled Plasma Optical Emission Spectrometer (ICP-OES), were used to construct an effluent breakthrough curve and retention profile for each experiment. The presence of a residual NAPL phase had negligible

  5. Coupled thermohaline groundwater flow and single-species reactive solute transport in fractured porous media

    NASA Astrophysics Data System (ADS)

    Graf, Thomas; Therrien, René

    2007-04-01

    SummaryA 3D numerical model has been developed to solve coupled fluid flow, heat and single-species reactive mass transport with variable fluid density and viscosity. We focus on a single reaction between quartz and its aqueous form silica. The fluid density and viscosity and the dissolution rate constant, equilibrium constant and activity coefficient are calculated as a function of the concentrations of major ions and temperature. Reaction and flow parameters, such as mineral surface area and permeability, are updated at the end of each time step with explicitly calculated reaction rates. Adaptive time stepping is used to increase or decrease the time step size according to the rate of temporal variation of the solution to prevent physically unrealistic results. The time step size depends on maximum changes in matrix porosity and/or fracture aperture. The model is verified against existing analytical solutions of heat transfer and reactive transport in fractured porous media. The complexity of the model formulation allows studying chemical reactions and variable-density flow in a more realistic way than done previously. The newly developed model has been used to simulate illustrative examples of coupled thermohaline flow and reactive transport in fractured porous media. Simulations indicate that thermohaline (double-diffusive) transport impacts both buoyancy-driven flow and chemical reactions. Hot zones correspond to upwelling and to quartz dissolution while in cooler zones, the plume sinks and silica precipitates. The silica concentration is inversely proportional to salinity in high-salinity regions and proportional to temperature in low-salinity regions. Density contrasts are generally small and fractures do not act like preferential pathways but contribute to transverse dispersion of the plume. Results of a long-term (100 years) simulation indicate that the coexistence of dissolution and precipitation leads to self-sealing of fractures. Salt mass fluxes

  6. Solute transport processes in flow-event-driven stream-aquifer interaction

    NASA Astrophysics Data System (ADS)

    Xie, Yueqing; Cook, Peter G.; Simmons, Craig T.

    2016-07-01

    The interaction between streams and groundwater controls key features of the stream hydrograph and chemograph. Since surface runoff is usually less saline than groundwater, flow events are usually accompanied by declines in stream salinity. In this paper, we use numerical modelling to show that, at any particular monitoring location: (i) the increase in stream stage associated with a flow event will precede the decrease in solute concentration (arrival time lag for solutes); and (ii) the decrease in stream stage following the flow peak will usually precede the subsequent return (increase) in solute concentration (return time lag). Both arrival time lag and return time lag increase with increasing wave duration. However, arrival time lag decreases with increasing wave amplitude, whereas return time lag increases. Furthermore, while arrival time lag is most sensitive to parameters that control river velocity (channel roughness and stream slope), return time lag is most sensitive to groundwater parameters (aquifer hydraulic conductivity, recharge rate, and dispersitivity). Additionally, the absolute magnitude of the decrease in river concentration is sensitive to both river and groundwater parameters. Our simulations also show that in-stream mixing is dominated by wave propagation and bank storage processes, and in-stream dispersion has a relatively minor effect on solute concentrations. This has important implications for spreading of contaminants released to streams. Our work also demonstrates that a high contribution of pre-event water (or groundwater) within the flow hydrograph can be caused by the combination of in-stream and bank storage exchange processes, and does not require transport o