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Sample records for advection-dispersion transport model

  1. 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...

  2. 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...

  3. 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.

  4. 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...

  5. 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...

  6. 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...

  7. 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)

  8. 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

  9. 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.

  10. 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.

  11. 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

  12. 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.

  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. 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

  15. 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.

  16. 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

  17. 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.

  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 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

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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...

  6. 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...

  7. 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).

  8. 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

  9. 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.

  10. 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...

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

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

    NASA Astrophysics Data System (ADS)

    Dolejs, David

    2016-04-01

    internal gradients and reactions in these systems are largely insensitive to the dynamics of the fluid flow. The time-intergrated fluid flux cannot be estimated from the petrological record and, in the limiting case, the net fluid flux can be zero (stagnant system in a porosity trap). This mechanism may be characteristic for Alpine-style vein assemblages and segregations in metamorphic terrains, where dissolution-reprecipitation is most likely assisted by transient gradients in stress field. Advection-dominated systems are characterized by a limited extent of chemical transport by dispersion with respect to interconnected size of the system. Progress of the alteration reactions in these systems is controlled independently by internal gradient(s) as the fluid moves through the mineralization site and magnitude of disequilibrium between the fluid and the host rock at the inflow. When the fluid flow rates remain low (e.g., dispersed metamorphic devolatilization), steady gradients along the fluid flow path exert the principal control, as commonly incorporated in the transport theory (Dolejš and Manning 2010, Ague 2014). When the fluid flow is rapid, the disequilibrium between the fluid and the host rock dictates the reaction efficiency, and the transport theory based on local equilibrium tends to significantly overestimate the net fluid flux. Advection-dominated systems with variable flow rates comprise a wide range of porosity- and fracture-controlled hydrothermal systems in intrusive and volcanic settings. With furter increase in the fluid flow rate, the advection-dominated systems evolved into reaction-constrained behavior. The mineral reaction progress is generally smaller, and the time-integrated fluid fluxes were likely much larger than petrologically estimated. These model examples illustrate that a functional description and classification of hydrothermal systems can address the causal relationships between length scales of solute (metal) sources and accumulations

  18. 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

  19. 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.

  20. 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.

  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. 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.

  3. 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.

  4. Investigating the Macrodispersion Experiment (MADE) site in Columbus, Mississippi, using a three-dimensional inverse flow and transport model

    USGS Publications Warehouse

    Barlebo, H.C.; Hill, M.C.; Rosbjerg, D.

    2004-01-01

    Flowmeter-measured hydraulic conductivities from the heterogeneous MADE site have been used predictively in advection-dispersion models. Resulting simulated concentrations failed to reproduce even major plume characteristics and some have concluded that other mechanisms, such as dual porosity, are important. Here an alternative possibility is investigated: that the small-scale flowmeter measurements are too noisy and possibly too biased to use so directly in site-scale models and that the hydraulic head and transport data are more suitable for site-scale characterization. Using a calibrated finite element model of the site and a new framework to evaluate random and systematic model and measurement errors, the following conclusions are derived. (1) If variations in subsurface fluid velocities like those simulated in this work (0.1 and 2.0 m per day along parallel and reasonably close flow paths) exist, it is likely that classical advection-dispersion processes can explain the measured plume characteristics. (2) The flowmeter measurements are possibly systematically lower than site-scale values when the measurements are considered individually and using common averaging methods and display variability that obscures abrupt changes in hydraulic conductivities that are well supported by changes in hydraulic gradients and are important to the simulation of transport.

  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. 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)

  7. Fractal continuum model for tracer transport in a porous medium.

    PubMed

    Herrera-Hernández, E C; Coronado, M; Hernández-Coronado, H

    2013-12-01

    A model based on the fractal continuum approach is proposed to describe tracer transport in fractal porous media. The original approach has been extended to treat tracer transport and to include systems with radial and uniform flow, which are cases of interest in geoscience. The models involve advection due to the fluid motion in the fractal continuum and dispersion whose mathematical expression is taken from percolation theory. The resulting advective-dispersive equations are numerically solved for continuous and for pulse tracer injection. The tracer profile and the tracer breakthrough curve are evaluated and analyzed in terms of the fractal parameters. It has been found in this work that anomalous transport frequently appears, and a condition on the fractal parameter values to predict when sub- or superdiffusion might be expected has been obtained. The fingerprints of fractality on the tracer breakthrough curve in the explored parameter window consist of an early tracer breakthrough and long tail curves for the spherical and uniform flow cases, and symmetric short tailed curves for the radial flow case.

  8. Critical review: Radionuclide transport, sediment transport, and water quality mathematical modeling; and radionuclide adsorption/desorption mechanisms

    SciTech Connect

    Onishi, Y.; Serne, R.J.; Arnold, E.M.; Cowan, C.E.; Thompson, F.L.

    1981-01-01

    This report describes the results of a detailed literature review of radionuclide transport models applicable to rivers, estuaries, coastal waters, the Great Lakes, and impoundments. Some representatives sediment transport and water quality models were also reviewed to evaluate if they can be readily adapted to radionuclide transport modeling. The review showed that most available transport models were developed for dissolved radionuclide in rivers. These models include the mechanisms of advection, dispersion, and radionuclide decay. Since the models do not include sediment and radionuclide interactions, they are best suited for simulating short-term radionuclide migration where: (1) radionuclides have small distribution coefficients; (2) sediment concentrations in receiving water bodies are very low. Only 5 of the reviewed models include full sediment and radionuclide interactions: CHMSED developed by Fields; FETRA SERATRA, and TODAM developed by Onishi et al, and a model developed by Shull and Gloyna. The 5 models are applicable to cases where: (1) the distribution coefficient is large; (2) sediment concentrations are high; or (3) long-term migration and accumulation are under consideration. The report also discusses radionuclide absorption/desorption distribution ratios and addresses adsorption/desorption mechanisms and their controlling processes for 25 elements under surface water conditions. These elements are: Am, Sb, C, Ce, Cm, Co, Cr, Cs, Eu, I, Fe, Mn, Np, P, Pu, Pm, Ra, Ru, Sr, Tc, Th, {sup 3}H, U, Zn and Zr.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. Illuminating reactive microbial transport in saturated porous media: Demonstration of a visualization method and conceptual transport model

    NASA Astrophysics Data System (ADS)

    Oates, Peter M.; Castenson, Catherine; Harvey, Charles F.; Polz, Martin; Culligan, Patricia

    2005-05-01

    We demonstrate a method to study reactive microbial transport in saturated translucent porous media using the bacteria Pseudomonas fluorescens 5RL genetically engineered to carry a plasmid with bioluminescence genes inducible by salicylate. Induced bacteria were injected into a cryolite grain filled chamber saturated with a sterile non-growth-promoting (phosphorus limited) chemical mixture containing salicylate as an aromatic hydrocarbon analogue. The amount of light produced by the bacteria serves as an estimator of the relative efficiency of aerobic biodegradation since bioluminescence is dependent on both salicylate and oxygen but only consumes oxygen. Bioluminescence was captured with a digital camera and analyzed to study the evolving spatial pattern of the bulk oxygen consuming reactions. As fluid flow transported the bacteria through the chamber, bioluminescence was observed to initially increase until an oxygen depletion zone developed behind the advective front. Bacterial transport was modeled with the advection dispersion equation and oxygen concentration was modeled assuming bacterial consumption via Monod kinetics with consideration of additional effects of rate-limited mass transfer from residual gas bubbles. Consistent with previous measurements, bioluminescence was considered proportional to oxygen consumed. Using the observed bioluminescence, model parameters were fit that were consistent with literature values and produced results in good agreement with the experimental data. These findings demonstrate potential for using this method to investigate the complex spatial and temporal dynamics of reactive microbial transport in saturated porous media.

  15. 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

  16. 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.

  17. 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.

  18. Modeling in-situ transport of uranine and colloids in the fracture network in KURT.

    PubMed

    Kim, Jung-Woo; Lee, Jae-Kwang; Baik, Min-Hoon; Jeong, Jongtae

    2015-02-01

    An in-situ dipole migration experiment was conducted using the conservative tracer uranine and latex colloids in KAERI (Korea Atomic Energy Research Institute) Underground Research Tunnel (KURT). The location and dimensions of the fractures between the two boreholes were estimated using the results of a borehole image processing system (BIPS) investigation, and the connectivity of the fractures was evaluated by a packer test. To investigate the flow and transport of uranine and colloids through an in-situ fracture network, a fracture network transport model was newly developed. The model consists of a series of one-dimensional advection-dispersion-matrix diffusion equations for each channel of the fracture network. Using the fracture network transport model, the most probable representation and the hydrologic parameters of the fracture network can be estimated by fitting the breakthrough of uranine. While the fracture network might not be unique, the representation chosen was adequate to describe the breakthrough of uranine and it represents a reasonable approach to modeling transport in the fracture network. An additional evaluation showed that the colloid transport in this study was influenced by filtration on the fracture surface rather than the enhancement of the colloid velocity. Overall, the model can explain successfully the in-situ experimental results of uranine and colloid transports through the fracture network.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. Bayesian methods for model choice and propagation of model uncertainty in groundwater transport modeling

    NASA Astrophysics Data System (ADS)

    Mendes, B. S.; Draper, D.

    2008-12-01

    The issue of model uncertainty and model choice is central in any groundwater modeling effort [Neuman and Wierenga, 2003]; among the several approaches to the problem we favour using Bayesian statistics because it is a method that integrates in a natural way uncertainties (arising from any source) and experimental data. In this work, we experiment with several Bayesian approaches to model choice, focusing primarily on demonstrating the usefulness of the Reversible Jump Markov Chain Monte Carlo (RJMCMC) simulation method [Green, 1995]; this is an extension of the now- common MCMC methods. Standard MCMC techniques approximate posterior distributions for quantities of interest, often by creating a random walk in parameter space; RJMCMC allows the random walk to take place between parameter spaces with different dimensionalities. This fact allows us to explore state spaces that are associated with different deterministic models for experimental data. Our work is exploratory in nature; we restrict our study to comparing two simple transport models applied to a data set gathered to estimate the breakthrough curve for a tracer compound in groundwater. One model has a mean surface based on a simple advection dispersion differential equation; the second model's mean surface is also governed by a differential equation but in two dimensions. We focus on artificial data sets (in which truth is known) to see if model identification is done correctly, but we also address the issues of over and under-paramerization, and we compare RJMCMC's performance with other traditional methods for model selection and propagation of model uncertainty, including Bayesian model averaging, BIC and DIC.References Neuman and Wierenga (2003). A Comprehensive Strategy of Hydrogeologic Modeling and Uncertainty Analysis for Nuclear Facilities and Sites. NUREG/CR-6805, Division of Systems Analysis and Regulatory Effectiveness Office of Nuclear Regulatory Research, U. S. Nuclear Regulatory Commission

  4. Colloid release and transport processes in natural and model porous media

    SciTech Connect

    Roy, S.B.; Dzombak, D.A.

    1995-12-01

    Colloidal particles present in porous media may be released and transported over significant distances when contacted with water at low ionic strength. An understanding of this process is of environmental interest because suspended colloidal particles in groundwater may enhance the subsurface transport of contaminants that are sorbed on their surfaces. This research focused on the processes of colloid release and transport in natural porous media of interest in contaminant transport, i.e., high permeability materials with low fines contents. Our objective in this study was to examine the mechanisms of colloid release and transport in a natural sand, and two model systems: latex particles attached on glass beads, and kaolinite particles attached on glass beads. For the appropriate electrolyte conditions, the release of attached colloids from all three porous media was found to be substantial. The total amount of colloids released depended upon the electrolyte composition and concentration. Column effluent data could be described with an advective-dispersive transport equation for colloidal particles with first-order terms for colloid release and deposition rates, by changing the mass of colloids available for release at each electrolyte concentrations.

  5. 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.

  6. 3D modelling of transport, deposition and resuspension of highway deposited sediments in wet detention ponds.

    PubMed

    Bentzen, T R

    2010-01-01

    The paper presents results from an experimental and numerical study of flows and transport of primarily particle bound pollutants in highway wet detention ponds. The study presented here is part of a general investigation on road runoff and pollution in respect to wet detention ponds. The objective is to evaluate the quality of long term simulation based on historical rains series of the pollutant discharges from roads and highways. A three-dimensional hydrodynamic and mud transport model is used for the investigation. The transport model has been calibrated and validated on e.g. experiments in a 30 m long concrete channel with width of 0.8 m and a water depth of approximately 0.8 m and in circular flume experiments in order to reproduce near-bed specific processes such as resuspension and consolidation. With a fairly good agreement with measurements, modelling of hydrodynamics, transport of dissolved pollutants and particles in wet detention ponds is possible with application of a three dimensional RANS model and the advection/dispersion equation taken physical phenomena like wind, waves, deposition, erosion and consolidation of the bottom sediment into account.

  7. 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.

  8. Reactive chemical transport in ground-water hydrology: Challenges to mathematical modeling

    SciTech Connect

    Narasimhan, T.N.; Apps, J.A.

    1990-07-01

    For a long time, earth scientists have qualitatively recognized that mineral assemblages in soils and rocks conform to established principles of chemistry. In the early 1960's geochemists began systematizing this knowledge by developing quantitative thermodynamic models based on equilibrium considerations. These models have since been coupled with advective-dispersive-diffusive transport models, already developed by ground-water hydrologists. Spurred by a need for handling difficult environmental issues related to ground-water contamination, these models are being improved, refined and applied to realistic problems of interest. There is little doubt that these models will play an important role in solving important problems of engineering as well as science over the coming years. Even as these models are being used practically, there is scope for their improvement and many challenges lie ahead. In addition to improving the conceptual basis of the governing equations, much remains to be done to incorporate kinetic processes and biological mediation into extant chemical equilibrium models. Much also remains to be learned about the limits to which model predictability can be reasonably taken. The purpose of this paper is to broadly assess the current status of knowledge in modeling reactive chemical transport and to identify the challenges that lie ahead.

  9. 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.

  10. 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

  11. Modeling Mercury Fate and Transport in Aquatic Systems

    NASA Astrophysics Data System (ADS)

    Massoudieh, Arash; Žagar, Dušan; Green, Peter G.; Cabrera-Toledo, Carlos; Horvat, Milena; Ginn, Timothy R.; Barkouki, Tammer; Weathers, Tess; Bombardelli, Fabian A.

    Mercury in the aquatic environment is a neurotoxin with several known adverse effects on the natural ecosystem and the human health. Mathematical modeling is a cost-effective way for assessing the risk associated with mercury to aquatic organisms and for developing management plans for the reduction of mercury exposure in such systems. However, the analysis of mercury fate and transport in the aquatic environment requires multiple disciplines of science ranging from sediment transport and hydraulics, to geochemistry and microbiology. Also, it involves the knowledge of some less understood processes such as the microbial and diagenetic processes affecting the chemical speciation of mercury and various mechanisms involved in the mass-exchange of mercury species between the benthic sediments and the overlying water. Due to these complexities, there are many challenges involved in developing an integrated mercury fate and transport model in aquatic systems. This paper identifies the various processes that are potentially important in mercury fate and transport as well as the knowns and unknowns about these processes. Also, an integrated multi-component reactive transport modeling approach is suggested to capture several of those processes. This integrated modeling framework includes the coupled advective-dispersive transport of mercury species in the water body, both in dissolved phase and as associated to mobile suspended sediments. The flux of mercury in the benthic sediments as a result of diffusive mass exchange, bio-dispersion, and hyporheic flow, and the flow generated due to consolidation of newly deposited sediments is also addressed. The model considers in addition the deposition and resuspension of sediments and their effect on the mass exchange of mercury species between the top water and the benthic sediments. As for the biogeochemical processes, the effect of redox stratification and activities of sulfate and iron-reducing bacteria on the methylation of

  12. Validation of Travel-Time based Nonlinear Bioreactive Transport Models under Flow and Transport Dynamics

    NASA Astrophysics Data System (ADS)

    Sanz Prat, A.; Lu, C.; Cirpka, O. A.

    2014-12-01

    Travel-time based models are presented as an alternative to traditional spatially explicit models to solve nonlinear reactive-transport problems. The main advantage of the travel-time approach is that it does not require multi-dimensional characterization of physical and chemical parameters, and transport is one-dimensional. Spatial dimensions are replaced by groundwater travel time, defined as the time required by a water particle to reach an observation point or the outflow boundary, respectively. The fundamental hypothesis is that locations of the same groundwater age exhibit the same reactive-species concentrations. This is true in strictly advective-reactive transport in steady-state flows if the coefficients of reactions are uniform and the concentration is uniform over the inflow boundary. We hypothesize that the assumption still holds when adding some dispersion in coupled flow and transport dynamics. We compare a two-dimensional, spatially explicit, bioreactive, advective-dispersive transport model, considered as "virtual truth", with three 1-D travel-time based models which differ by the conceptualization of longitudinal dispersion: (i) neglecting dispersive mixing altogether, (ii) introducing a local-scale longitudinal dispersivity constant in time and space, and (iii) using an effective longitudinal dispersivity that increases linearly with distance. We consider biodegradation of organic matter catalyzed by non-competitive inhibitive microbial populations. The simulated inflow contains oxygen, nitrate, and DOC. The domain contains growing aerobic and denitrifying bacteria, the latter being inhibited by oxygen. This system is computed in 1-D, and in 2-D heterogeneous domains. We conclude that the conceptualization of nonlinear bioreactive transport in complex multi-dimensional domains by quasi 1-D travel-time models is valid for steady-state flow if the reactants are introduced over a wide cross-section, flow is at quasi-steady state, and dispersive

  13. Numerical model for the uptake of groundwater contaminants by phreatophytes

    USGS Publications Warehouse

    Widdowson, M.A.; El-Sayed, A.; Landmeyer, J.E.

    2008-01-01

    Conventional solute transport models do not adequately account for the effects of phreatophytic plant systems on contaminant concentrations in shallow groundwater systems. A numerical model was developed and tested to simulate threedimensional reactive solute transport in a heterogeneous porous medium. Advective-dispersive transport is coupled to biodegradation, sorption, and plantbased attenuation processes including plant uptake and sorption by plant roots. The latter effects are a function of the physical-chemical properties of the individual solutes and plant species. Models for plant uptake were tested and evaluated using the experimental data collected at a field site comprised of hybrid poplar trees. A non-linear equilibrium isotherm model best represented site conditions.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. NIGHTHAWK - A Program for Modeling Saturated Batch and Column Experiments Incorporating Equilibrium and Kinetic Biogeochemistry

    EPA Science Inventory

    NIGHTHAWK simulates the fate and transport of biogeochemically reactive contaminants in the saturated subsurface. Version 1.2 supports batch and one- dimensional advective-dispersive-reactive transport involving a number of biogeochemical processes, including: microbially-mediate...

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. UZ Colloid Transport Model

    SciTech Connect

    M. McGraw

    2000-04-13

    The UZ Colloid Transport model development plan states that the objective of this Analysis/Model Report (AMR) is to document the development of a model for simulating unsaturated colloid transport. This objective includes the following: (1) use of a process level model to evaluate the potential mechanisms for colloid transport at Yucca Mountain; (2) Provide ranges of parameters for significant colloid transport processes to Performance Assessment (PA) for the unsaturated zone (UZ); (3) Provide a basis for development of an abstracted model for use in PA calculations.

  5. Modeling Np and Pu transport with a surface complexation model and spatially variant sorption capacities: Implications for reactive transport modeling and performance assessments of nuclear waste disposal sites

    USGS Publications Warehouse

    Glynn, P.D.

    2003-01-01

    One-dimensional (1D) geochemical transport modeling is used to demonstrate the effects of speciation and sorption reactions on the ground-water transport of Np and Pu, two redox-sensitive elements. Earlier 1D simulations (Reardon, 1981) considered the kinetically limited dissolution of calcite and its effect on ion-exchange reactions (involving 90Sr, Ca, Na, Mg and K), and documented the spatial variation of a 90Sr partition coefficient under both transient and steady-state chemical conditions. In contrast, the simulations presented here assume local equilibrium for all reactions, and consider sorption on constant potential, rather than constant charge, surfaces. Reardon's (1981) seminal findings on the spatial and temporal variability of partitioning (of 90Sr) are reexamined and found partially caused by his assumption of a kinetically limited reaction. In the present work, sorption is assumed the predominant retardation process controlling Pu and Np transport, and is simulated using a diffuse-double-layer-surface-complexation (DDLSC) model. Transport simulations consider the infiltration of Np- and Pu-contaminated waters into an initially uncontaminated environment, followed by the cleanup of the resultant contamination with uncontaminated water. Simulations are conducted using different spatial distributions of sorption capacities (with the same total potential sorption capacity, but with different variances and spatial correlation structures). Results obtained differ markedly from those that would be obtained in transport simulations using constant Kd, Langmuir or Freundlich sorption models. When possible, simulation results (breakthrough curves) are fitted to a constant K d advection-dispersion transport model and compared. Functional differences often are great enough that they prevent a meaningful fit of the simulation results with a constant K d (or even a Langmuir or Freundlich) model, even in the case of Np, a weakly sorbed radionuclide under the

  6. 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).

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. Railway switch transport model.

    PubMed

    Horvat, Martin; Prosen, Tomaž; Benenti, Giuliano; Casati, Giulio

    2012-11-01

    We propose a simple model of coupled heat and particle transport based on zero-dimensional classical deterministic dynamics, which is reminiscent of a railway switch whose action is a function only of the particle's energy. It is shown that already in the minimal three-terminal model, where the second terminal is considered as a probe with zero net particle and heat currents, one can find extremely asymmetric Onsager matrices as a consequence of time-reversal symmetry breaking of the model. This minimalistic transport model provides a better understanding of thermoelectric heat engines in the presence of time-reversal symmetry breaking.

  13. 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.

  14. Lagrangian Sediment Transport Model

    NASA Astrophysics Data System (ADS)

    Maderych, V.; Brovchenko, I.; Fenical, S.; Shepsis, V.

    2004-12-01

    A new two-dimensional Lagrangian sediment transport model was developed to simulate a wide-range of sediment transport processes, including sediment mobility under combined current and wave action, sediment transport and bed change under wave and currents effects, sediment transport patterns at nearshore coastal and offshore structures, and turbidity and sediment motion during dredging and dredged material placement. The Lagrangian technique was used to simulate transport of sediments, deposition, and re-suspension. The model can be applied to cohesive, non-cohesive, or mixed sediments. The sediment transport is simulated using bathymetry data, bed resistance characteristics, wave height and period, depth-averaged current velocity and bed material type, size and gradation, which vary throughout the model domain.The non-cohesive sediment transport model is based on a solution of two-dimensional mass conservation equations for the bed layer material and 2D equations for movement of sediment fractions either bed load or suspended load. The water column and bottom are divided into a set of layers: water layer, active layer, several active bed layers, and the bed layer. The model also takes into account the effects of armoring and changes in the bed composition. Cohesive sediments move entirely as suspended load in the water layer and sediment transport computations are based on a solution of the two-dimensional mass conservation equations for the bed layer material and two-dimensional equations for movement of sediment as suspended load. The water column and bed, as for non-cohesive sediments, was divided into a set of layers. Following the approach of Van Ledden (2002), the erosion of sediments made up of mud and sand mixtures is non-cohesive if the mud content is below a critical level. Above a critical mud content, the bed behaves cohesively. Deposition fluxes of mud and sand are independent. The sediment concentration in the water and active layer is represented by

  15. 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

  16. Estimation of transport parameters of phenolic compounds and inorganic contaminants through composite landfill liners using one-dimensional mass transport model

    SciTech Connect

    Varank, Gamze; Demir, Ahmet; Yetilmezsoy, Kaan; Bilgili, M. Sinan; Top, Selin; Sekman, Elif

    2011-11-15

    Highlights: > We conduct 1D advection-dispersion modeling to estimate transport parameters. > We examine fourteen phenolic compounds and three inorganic contaminants. > 2-MP, 2,4-DCP, 2,6-DCP, 2,4,5-TCP, 2,3,4,6-TeCP have the highest coefficients. > Dispersion coefficients of Cu are determined to be higher than Zn and Fe. > Transport of phenolics can be prevented by zeolite and bentonite in landfill liners. - Abstract: One-dimensional (1D) advection-dispersion transport modeling was conducted as a conceptual approach for the estimation of the transport parameters of fourteen different phenolic compounds (phenol, 2-CP, 2-MP, 3-MP, 4-MP, 2-NP, 4-NP, 2,4-DNP, 2,4-DCP, 2,6-DCP, 2,4,5-TCP, 2,4,6-TCP, 2,3,4,6-TeCP, PCP) and three different inorganic contaminants (Cu, Zn, Fe) migrating downward through the several liner systems. Four identical pilot-scale landfill reactors (0.25 m{sup 3}) with different composite liners (R1: 0.10 + 0.10 m of compacted clay liner (CCL), L{sub e} = 0.20 m, k{sub e} = 1 x 10{sup -8} m/s, R2: 0.002-m-thick damaged high-density polyethylene (HDPE) geomembrane overlying 0.10 + 0.10 m of CCL, L{sub e} = 0.20 m, k{sub e} = 1 x 10{sup -8} m/s, R3: 0.002-m-thick damaged HDPE geomembrane overlying a 0.02-m-thick bentonite layer encapsulated between 0.10 + 0.10 m CCL, L{sub e} = 0.22 m, k{sub e} = 1 x 10{sup -8} m/s, R4: 0.002-m-thick damaged HDPE geomembrane overlying a 0.02-m-thick zeolite layer encapsulated between 0.10 + 0.10 m CCL, L{sub e} = 0.22 m, k{sub e} = 4.24 x 10{sup -7} m/s) were simultaneously run for a period of about 540 days to investigate the nature of diffusive and advective transport of the selected organic and inorganic contaminants. The results of 1D transport model showed that the highest molecular diffusion coefficients, ranging from 4.77 x 10{sup -10} to 10.67 x 10{sup -10} m{sup 2}/s, were estimated for phenol (R4), 2-MP (R1), 2,4-DNP (R2), 2,4-DCP (R1), 2,6-DCP (R2), 2,4,5-TCP (R2) and 2,3,4,6-TeCP (R1). For all reactors

  17. 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.

  18. 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.

  19. 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.

  20. Modèle d'aide à la gestion des eaux souterraines (MAGES). 1. Théorie du modèle numérique de transport des contaminants

    NASA Astrophysics Data System (ADS)

    Delay, Frédérick; Banton, Olivier; Porel, Gilles

    1998-08-01

    MAGES is software for forecasting pollution hazards of groundwater which is in the process of development at INRS-Eau (Canada). The main distinctive feature of the model is the use of stationary truncated temporal moment equations instead of the classical time dependent advection-dispersion equation to solve the transport of contaminants. The aim of this work is to describe the theory of truncated temporal moment equations and to show how the curves of the concentration versus time can be calculated from temporal moments. The discrete method used to solve the equations and its stability is also discussed.

  1. Reactive transport modeling

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This special section in the Vadose Zone Journal focusing on reactive transport modeling was developed from a special symposium jointly sponsored by the Soil Physics and Soil Chemistry Divisions of the Soil Science Society of America at the 2010 annual meetings held in Long Beach, CA. It contains eig...

  2. 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.

  3. Pore Water PAH Transport in Amended Sediment Caps

    NASA Astrophysics Data System (ADS)

    Gidley, P. T.; Kwon, S.; Ghosh, U.

    2009-05-01

    Capping is a common remediation strategy for contaminated sediments that creates a physical barrier between contaminated sediments and the water column. Diffusive flux of contaminants through a sediment cap is small. However, under certain hydrodynamic conditions such as groundwater potential and tidal pumping, groundwater advection can accelerate contaminant transport. Hydrophobic organic contaminants such as polycyclic aromatic hydrocarbons (PAHs) could be transported through the cap under advective conditions. To better understand PAH migration under these conditions, physical models of sediment caps were evaluated in the laboratory through direct measurement of pore water using solid phase micro-extraction with gas chromatography and mass spectrometry. Contaminated sediment and capping material was obtained from an existing Superfund site that was capped at Eagle Harbor, Washington. A PAH dissolution model linked to an advection-dispersion equation with retardation using published organic carbon-water partitioning coefficients (Koc) was compared to measured PAHs in the sediment and cap porewater of the physical model.

  4. 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

  5. A Tidally Averaged Sediment-Transport Model for San Francisco Bay, California

    USGS Publications Warehouse

    Lionberger, Megan A.; Schoellhamer, David H.

    2009-01-01

    A tidally averaged sediment-transport model of San Francisco Bay was incorporated into a tidally averaged salinity box model previously developed and calibrated using salinity, a conservative tracer (Uncles and Peterson, 1995; Knowles, 1996). The Bay is represented in the model by 50 segments composed of two layers: one representing the channel (>5-meter depth) and the other the shallows (0- to 5-meter depth). Calculations are made using a daily time step and simulations can be made on the decadal time scale. The sediment-transport model includes an erosion-deposition algorithm, a bed-sediment algorithm, and sediment boundary conditions. Erosion and deposition of bed sediments are calculated explicitly, and suspended sediment is transported by implicitly solving the advection-dispersion equation. The bed-sediment model simulates the increase in bed strength with depth, owing to consolidation of fine sediments that make up San Francisco Bay mud. The model is calibrated to either net sedimentation calculated from bathymetric-change data or measured suspended-sediment concentration. Specified boundary conditions are the tributary fluxes of suspended sediment and suspended-sediment concentration in the Pacific Ocean. Results of model calibration and validation show that the model simulates the trends in suspended-sediment concentration associated with tidal fluctuations, residual velocity, and wind stress well, although the spring neap tidal suspended-sediment concentration variability was consistently underestimated. Model validation also showed poor simulation of seasonal sediment pulses from the Sacramento-San Joaquin River Delta at Point San Pablo because the pulses enter the Bay over only a few days and the fate of the pulses is determined by intra-tidal deposition and resuspension that are not included in this tidally averaged model. The model was calibrated to net-basin sedimentation to calculate budgets of sediment and sediment-associated contaminants. While

  6. 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.

  7. Comparison of simulated water, nitrate, and bromide transport using a Hooghoudt-based and a dynamic drainage model

    NASA Astrophysics Data System (ADS)

    Mollerup, Mikkel; Abrahamsen, Per; Petersen, Carsten T.; Hansen, Søren

    2014-02-01

    For large-scale hydrological modeling, the accuracy of the models used is a trade-off with the computational requirements. The models that perform well on the daily/meter scale may not perform well when applied at the yearly/kilometer scale. We compare two models of water flow and nitrate and bromide transport in a tile drained soil. The first model is based on a 2-D grid with an explicit drain node, here called the Dynamic Drainage Model (DDM). The second and less computationally expensive model is based on an 1-D vertical discretization where the horizontal flow is included as a sink term based on the Hooghoudt theory, here called the Hooghoudt Drainage Model (HDM). Both are based on Finite Volume Method solutions to Richard's equation and to the advection-dispersion equation (ADE), and embedded within the Daisy agroecological model, which includes the nitrogen cycle. The two models are run with 10 years of weather data and three different lower-boundary conditions. Losses of water, nitrogen, and bromide to both drain pipes and deep percolation/leaching are compared between the models, at daily and yearly time scales. In no case do we find the discrepancy large enough to warrant a rejection of the use of the faster HDM instead of DDM. For the daily time scale, we find in general a higher Nash-Sutcliffe efficiency coefficient for water (0.98-1.00) than for nitrate (0.97-1.00), and the lowest for bromide (0.95-1.00). The results are explained with a low concentration gradient along the water flow pathway toward the drain.

  8. Modeling hexavalent chromium reduction in groundwater in field-scale transport and laboratory batch experiments

    USGS Publications Warehouse

    Friedly, J.C.; Davis, J.A.; Kent, D.B.

    1995-01-01

    A plausible and consistent model is developed to obtain a quantitative description of the gradual disappearance of hexavalent chromium (Cr(VI)) from groundwater in a small-scale field tracer test and in batch kinetic experiments using aquifer sediments under similar chemical conditions. The data exhibit three distinct timescales. Fast reduction occurs in well-stirred batch reactors in times much less than 1 hour and is followed by slow reduction over a timescale of the order of 2 days. In the field, reduction occurs on a timescale of the order of 8 days. The model is based on the following hypotheses. The chemical reduction reaction occurs very fast, and the longer timescales are caused by diffusion resistance. Diffusion into the secondary porosity of grains causes the apparent slow reduction rate in batch experiments. In the model of the field experiments, the reducing agent, heavy Fe(II)-bearing minerals, is heterogeneously distributed in thin strata located between larger nonreducing sand lenses that comprise the bulk of the aquifer solids. It is found that reducing strata of the order of centimeters thick are sufficient to contribute enough diffusion resistance to cause the observed longest timescale in the field. A one-dimensional advection/dispersion model is formulated that describes the major experimental trends. Diffusion rates are estimated in terms of an elementary physical picture of flow through a stratified medium containing identically sized spherical grains. Both reduction and sorption reactions are included. Batch simulation results are sensitive to the fraction of reductant located at or near the surface of grains, which controls the amount of rapid reduction, and the secondary porosity, which controls the rate of slow reduction observed in batch experiments. Results of Cr(VI) transport simulations are sensitive to the thickness and relative size of the reducing stratum. Transport simulation results suggest that nearly all of the reductant must be

  9. 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.

  10. 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).

  11. 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.

  12. Sensitivity analyses of a colloid-facilitated contaminant transport model for unsaturated heterogeneous soil conditions.

    NASA Astrophysics Data System (ADS)

    Périard, Yann; José Gumiere, Silvio; Rousseau, Alain N.; Caron, Jean

    2013-04-01

    Certain contaminants may travel faster through soils when they are sorbed to subsurface colloidal particles. Indeed, subsurface colloids may act as carriers of some contaminants accelerating their translocation through the soil into the water table. This phenomenon is known as colloid-facilitated contaminant transport. It plays a significant role in contaminant transport in soils and has been recognized as a source of groundwater contamination. From a mechanistic point of view, the attachment/detachment of the colloidal particles from the soil matrix or from the air-water interface and the straining process may modify the hydraulic properties of the porous media. Šimůnek et al. (2006) developed a model that can simulate the colloid-facilitated contaminant transport in variably saturated porous media. The model is based on the solution of a modified advection-dispersion equation that accounts for several processes, namely: straining, exclusion and attachement/detachement kinetics of colloids through the soil matrix. The solutions of these governing, partial differential equations are obtained using a standard Galerkin-type, linear finite element scheme, implemented in the HYDRUS-2D/3D software (Šimůnek et al., 2012). Modeling colloid transport through the soil and the interaction of colloids with the soil matrix and other contaminants is complex and requires the characterization of many model parameters. In practice, it is very difficult to assess actual transport parameter values, so they are often calibrated. However, before calibration, one needs to know which parameters have the greatest impact on output variables. This kind of information can be obtained through a sensitivity analysis of the model. The main objective of this work is to perform local and global sensitivity analyses of the colloid-facilitated contaminant transport module of HYDRUS. Sensitivity analysis was performed in two steps: (i) we applied a screening method based on Morris' elementary

  13. BLT-EC (Breach, Leach and Transport-Equilibrium Chemistry) data input guide. A computer model for simulating release and coupled geochemical transport of contaminants from a subsurface disposal facility

    SciTech Connect

    MacKinnon, R.J. |; Sullivan, T.M.; Kinsey, R.R.

    1997-05-01

    The BLT-EC computer code has been developed, implemented, and tested. BLT-EC is a two-dimensional finite element computer code capable of simulating the time-dependent release and reactive transport of aqueous phase species in a subsurface soil system. BLT-EC contains models to simulate the processes (container degradation, waste-form performance, transport, chemical reactions, and radioactive production and decay) most relevant to estimating the release and transport of contaminants from a subsurface disposal system. Water flow is provided through tabular input or auxiliary files. Container degradation considers localized failure due to pitting corrosion and general failure due to uniform surface degradation processes. Waste-form performance considers release to be limited by one of four mechanisms: rinse with partitioning, diffusion, uniform surface degradation, and solubility. Transport considers the processes of advection, dispersion, diffusion, chemical reaction, radioactive production and decay, and sources (waste form releases). Chemical reactions accounted for include complexation, sorption, dissolution-precipitation, oxidation-reduction, and ion exchange. Radioactive production and decay in the waste form is simulated. To improve the usefulness of BLT-EC, a pre-processor, ECIN, which assists in the creation of chemistry input files, and a post-processor, BLTPLOT, which provides a visual display of the data have been developed. BLT-EC also includes an extensive database of thermodynamic data that is also accessible to ECIN. This document reviews the models implemented in BLT-EC and serves as a guide to creating input files and applying BLT-EC.

  14. 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.

  15. 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

  16. Transport in fractal media: an effective scale-invariant approach.

    PubMed

    Hernandez-Coronado, H; Coronado, M; Herrera-Hernandez, E C

    2012-06-01

    In this paper an advective-dispersion equation with scale-dependent coefficients is proposed for describing transport through fractals. This equation is obtained by imposing scale invariance and assuming that the porosity, the dispersion coefficient, and the velocity follow fractional power laws on the scale. The model incorporates the empirically found trends in highly heterogeneous media, regarding the dependence of the dispersivity on the scale and the dispersion coefficient on the velocity. We conclude that the presence of nontrivial fractal parameters produces anomalous dispersion, as expected, and that the presence of convective processes induces a reescalation in the concentration and shifts the tracer velocity to different values with respect to the nonfractal case.

  17. Transport of Escherichia coli bacteria through laboratory columns of glacial-outwash sediments: estimating model parameter values based on sediment characteristics.

    PubMed

    Levy, J; Sun, K; Findlay, R H; Farruggia, F T; Porter, J; Mumy, K L; Tomaras, J; Tomaras, A

    2007-01-05

    Bacterial transport through cores of intact, glacial-outwash aquifer sediment was investigated with the overall goal of better understanding bacterial transport and developing a predictive capability based on the sediment characteristics. Variability was great among the cores. Normalized maximum bacterial-effluent concentrations ranged from 5.4x10(-7) to 0.36 and effluent recovery ranged from 2.9x10(-4) to 59%. Bacterial breakthrough was generally rapid with a sharp peak occurring nearly twice as early as the bromide peak. Bacterial breakthrough exhibited a long tail of relatively constant concentration averaging three orders of magnitude less than the peak concentration for up to 32 pore volumes. The tails were consistent with non-equilibrium detachment, corroborated by the results of flow interruption experiments. Bacterial breakthrough was accurately simulated with a transport model incorporating advection, dispersion and first-order non-equilibrium attachment/detachment. Relationships among bacterial transport and sediment characteristics were explored with multiple regression analyses. These analyses indicated that for these cores and experimental conditions, easily-measurable sediment characteristics--median grain size, degree of sorting, organic-matter content and hydraulic conductivity--accounted for 66%, 61% and 89% of the core-to-core variability in the bacterial effective porosity, dispersivity and attachment-rate coefficient, respectively. In addition, the bacterial effective porosity, median grain size and organic-matter content accounted for 76% of the inter-core variability in the detachment-rate coefficient. The resulting regression equations allow prediction of bacterial transport based on sediment characteristics and are a possible alternative to using colloid-filtration theory. Colloid-filtration theory, used without the benefit of running bacterial transport experiments, did not as accurately replicate the observed variability in the attachment

  18. Minority Transportation Expenditure Allocation Model

    SciTech Connect

    Vyas, Anant D.; Santini, Danilo J.; Marik, Sheri K.

    1993-04-12

    MITRAM (Minority TRansportation expenditure Allocation Model) can project various transportation related attributes of minority (Black and Hispanic) and majority (white) populations. The model projects vehicle ownership, vehicle miles of travel, workers, new car and on-road fleet fuel economy, amount and share of household income spent on gasoline, and household expenditures on public transportation and taxis. MITRAM predicts reactions to sustained fuel price changes for up to 10 years after the change.

  19. Stochastic models of intracellular transport

    NASA Astrophysics Data System (ADS)

    Bressloff, Paul C.; Newby, Jay M.

    2013-01-01

    The interior of a living cell is a crowded, heterogenuous, fluctuating environment. Hence, a major challenge in modeling intracellular transport is to analyze stochastic processes within complex environments. Broadly speaking, there are two basic mechanisms for intracellular transport: passive diffusion and motor-driven active transport. Diffusive transport can be formulated in terms of the motion of an overdamped Brownian particle. On the other hand, active transport requires chemical energy, usually in the form of adenosine triphosphate hydrolysis, and can be direction specific, allowing biomolecules to be transported long distances; this is particularly important in neurons due to their complex geometry. In this review a wide range of analytical methods and models of intracellular transport is presented. In the case of diffusive transport, narrow escape problems, diffusion to a small target, confined and single-file diffusion, homogenization theory, and fractional diffusion are considered. In the case of active transport, Brownian ratchets, random walk models, exclusion processes, random intermittent search processes, quasi-steady-state reduction methods, and mean-field approximations are considered. Applications include receptor trafficking, axonal transport, membrane diffusion, nuclear transport, protein-DNA interactions, virus trafficking, and the self-organization of subcellular structures.

  20. Anomalous transport in fluid field with random waiting time depending on the preceding jump length

    NASA Astrophysics Data System (ADS)

    Zhang, Hong; Li, Guo-Hua

    2016-11-01

    Anomalous (or non-Fickian) transport behaviors of particles have been widely observed in complex porous media. To capture the energy-dependent characteristics of non-Fickian transport of a particle in flow fields, in the present paper a generalized continuous time random walk model whose waiting time probability distribution depends on the preceding jump length is introduced, and the corresponding master equation in Fourier-Laplace space for the distribution of particles is derived. As examples, two generalized advection-dispersion equations for Gaussian distribution and lévy flight with the probability density function of waiting time being quadratic dependent on the preceding jump length are obtained by applying the derived master equation. Project supported by the Foundation for Young Key Teachers of Chengdu University of Technology, China (Grant No. KYGG201414) and the Opening Foundation of Geomathematics Key Laboratory of Sichuan Province, China (Grant No. scsxdz2013009).

  1. On the validity of travel-time based nonlinear bioreactive transport models in steady-state flow

    NASA Astrophysics Data System (ADS)

    Sanz-Prat, Alicia; Lu, Chuanhe; Finkel, Michael; Cirpka, Olaf A.

    2015-04-01

    Travel-time based models simplify the description of reactive transport by replacing the spatial coordinates with the groundwater travel time, posing a quasi one-dimensional (1-D) problem and potentially rendering the determination of multidimensional parameter fields unnecessary. While the approach is exact for strictly advective transport in steady-state flow if the reactive properties of the porous medium are uniform, its validity is unclear when local-scale mixing affects the reactive behavior. We compare a two-dimensional (2-D), spatially explicit, bioreactive, advective-dispersive transport model, considered as "virtual truth", with three 1-D travel-time based models which differ in the conceptualization of longitudinal dispersion: (i) neglecting dispersive mixing altogether, (ii) introducing a local-scale longitudinal dispersivity constant in time and space, and (iii) using an effective longitudinal dispersivity that increases linearly with distance. The reactive system considers biodegradation of dissolved organic carbon, which is introduced into a hydraulically heterogeneous domain together with oxygen and nitrate. Aerobic and denitrifying bacteria use the energy of the microbial transformations for growth. We analyze six scenarios differing in the variance of log-hydraulic conductivity and in the inflow boundary conditions (constant versus time-varying concentration). The concentrations of the 1-D models are mapped to the 2-D domain by means of the kinematic (for case i), and mean groundwater age (for cases ii & iii), respectively. The comparison between concentrations of the "virtual truth" and the 1-D approaches indicates extremely good agreement when using an effective, linearly increasing longitudinal dispersivity in the majority of the scenarios, while the other two 1-D approaches reproduce at least the concentration tendencies well. At late times, all 1-D models give valid approximations of two-dimensional transport. We conclude that the

  2. On the validity of travel-time based nonlinear bioreactive transport models in steady-state flow.

    PubMed

    Sanz-Prat, Alicia; Lu, Chuanhe; Finkel, Michael; Cirpka, Olaf A

    2015-01-01

    Travel-time based models simplify the description of reactive transport by replacing the spatial coordinates with the groundwater travel time, posing a quasi one-dimensional (1-D) problem and potentially rendering the determination of multidimensional parameter fields unnecessary. While the approach is exact for strictly advective transport in steady-state flow if the reactive properties of the porous medium are uniform, its validity is unclear when local-scale mixing affects the reactive behavior. We compare a two-dimensional (2-D), spatially explicit, bioreactive, advective-dispersive transport model, considered as "virtual truth", with three 1-D travel-time based models which differ in the conceptualization of longitudinal dispersion: (i) neglecting dispersive mixing altogether, (ii) introducing a local-scale longitudinal dispersivity constant in time and space, and (iii) using an effective longitudinal dispersivity that increases linearly with distance. The reactive system considers biodegradation of dissolved organic carbon, which is introduced into a hydraulically heterogeneous domain together with oxygen and nitrate. Aerobic and denitrifying bacteria use the energy of the microbial transformations for growth. We analyze six scenarios differing in the variance of log-hydraulic conductivity and in the inflow boundary conditions (constant versus time-varying concentration). The concentrations of the 1-D models are mapped to the 2-D domain by means of the kinematic (for case i), and mean groundwater age (for cases ii & iii), respectively. The comparison between concentrations of the "virtual truth" and the 1-D approaches indicates extremely good agreement when using an effective, linearly increasing longitudinal dispersivity in the majority of the scenarios, while the other two 1-D approaches reproduce at least the concentration tendencies well. At late times, all 1-D models give valid approximations of two-dimensional transport. We conclude that the

  3. A 3-dimensional micro- and nanoparticle transport and filtration model (MNM3D) applied to the migration of carbon-based nanomaterials in porous media

    NASA Astrophysics Data System (ADS)

    Bianco, Carlo; Tosco, Tiziana; Sethi, Rajandrea

    2016-10-01

    Engineered nanoparticles (NPs) in the environment can act both as contaminants, when they are unintentionally released, and as remediation agents when injected on purpose at contaminated sites. In this work two carbon-based NPs are considered, namely CARBO-IRON®, a new material developed for contaminated site remediation, and single layer graphene oxide (SLGO), a potential contaminant of the next future. Understanding and modeling the transport and deposition of such NPs in aquifer systems is a key aspect in both cases, and numerical models capable to simulate NP transport in groundwater in complex 3D scenarios are necessary. To this aim, this work proposes a modeling approach based on modified advection-dispersion-deposition equations accounting for the coupled influence of flow velocity and ionic strength on particle transport. A new modeling tool (MNM3D - Micro and Nanoparticle transport Model in 3D geometries) is presented for the simulation of NPs injection and transport in 3D scenarios. MNM3D is the result of the integration of the numerical code MNMs (Micro and Nanoparticle transport, filtration and clogging Model - Suite) in the well-known transport model RT3D (Clement et al., 1998). The injection in field-like conditions of CARBO-IRON® (20 g/l) amended by CMC (4 g/l) in a 2D vertical tank (0.7 × 1.0 × 0.12 m) was simulated using MNM3D, and compared to experimental results under the same conditions. Column transport tests of SLGO at a concentration (10 mg/l) representative of a possible spill of SLGO-containing waste water were performed at different values of ionic strength (0.1 to 35 mM), evidencing a strong dependence of SLGO transport on IS, and a reversible blocking deposition. The experimental data were fitted using the numerical code MNMs and the ionic strength-dependent transport was up-scaled for a full scale 3D simulation of SLGO release and long-term transport in a heterogeneous aquifer. MNM3D showed to potentially represent a valid tool for

  4. BLT-EC (Breach, Leach Transport, and Equilibrium Chemistry), a finite-element model for assessing the release of radionuclides from low-level waste disposal units: Background, theory, and model description

    SciTech Connect

    MacKinnon, R.J.; Sullivan, T.M.; Simonson, S.A.; Suen, C.J.

    1995-08-01

    Performance assessment models typically account for the processes of sorption and dissolution-precipitation by using an empirical distribution coefficient, commonly referred to as K{sub d} that combines the effects of all chemical reactions between solid and aqueous phases. In recent years, however, there has been an increasing awareness that performance assessments based solely on empirically based K{sub d} models may be incomplete, particularly for applications involving radionuclides having sorption and solubility properties that are sensitive to variations in the in-situ chemical environment. To accommodate variations in the in-situ chemical environment, and to assess its impact on radionuclide mobility, it is necessary to model radionuclide release, transport, and chemical processes in a coupled fashion. This modeling has been done and incorporated into the two-dimensional, finite-element, computer code BLT-EC (Breach, Leach, Transport, Equilibrium Chemistry). BLT-EC is capable of predicting container degradation, waste-form leaching, and advective-dispersive, multispecies, solute transport. BLT-EC accounts for retardation directly by modeling the chemical processes of complexation, sorption, dissolution-precipitation, ion-exchange, and oxidation-reduction reactions. In this report we: (1) present a detailed description of the various physical and chemical processes that control the release and migration of radionuclides from shallow land LLW disposal facilities; (2) formulate the mathematical models that represent these processes; (3) outline how these models are incorporated and implemented in BLT-EC; and (4) demonstrate the application of BLT-EC on a set of example problems.

  5. Theoretical Transport Model for Tokamaks

    NASA Astrophysics Data System (ADS)

    Ghanem, Elsayed Mohammad

    In the present thesis work a theoretical transport model is suggested to study the anomalous transport of plasma particles and energy across the axisymmetric equilibrium toroidal magnetic flux surfaces in tokamaks. The model suggests a linear combination of two transport mechanisms; drift waves, which dominate the transport in the core region, and resistive ballooning modes, which dominate the transport in the edge region. The resulting unified model has been used in a predictive transport code to simulate the plasma transport in different tokamak experiments operating in both the ohmic heating phase and the low confinement mode (L-mode). For ohmic plasma, the model was used to study the saturation of energy confinement time at high plasma density. The effect of the resistive ballooning mode as a possible cause of the saturation phenomena has been investigated together with the effect of the ion temperature gradient mode. For the low confinement mode plasmas, the study has emphasized on using the model to obtain a scaling law for the energy confinement time with the various plasma parameters compared to the scaling laws that are derived based on fitting the experimental data.

  6. Groundwater flow and transport modeling

    USGS Publications Warehouse

    Konikow, L.F.; Mercer, J.W.

    1988-01-01

    Deterministic, distributed-parameter, numerical simulation models for analyzing groundwater flow and transport problems have come to be used almost routinely during the past decade. A review of the theoretical basis and practical use of groundwater flow and solute transport models is used to illustrate the state-of-the-art. Because of errors and uncertainty in defining model parameters, models must be calibrated to obtain a best estimate of the parameters. For flow modeling, data generally are sufficient to allow calibration. For solute-transport modeling, lack of data not only limits calibration, but also causes uncertainty in process description. Where data are available, model reliability should be assessed on the basis of sensitivity tests and measures of goodness-of-fit. Some of these concepts are demonstrated by using two case histories. ?? 1988.

  7. Modeling Biogeochemical Reactive Transport in Fractured Granites: Implications for the Performance of a Deep Geological Repository

    NASA Astrophysics Data System (ADS)

    Molinero, J.; Samper, J.; Pedersen, K.; Puigdomenech, I.

    2003-12-01

    Several countries around the world are considering deep repositories in fractured granitic formations for the final disposal of high-level radioactive waste. Evaluating the long term safety of such repositories requires sound conceptual and numerical models which are being developed from data and knowledge gained from in situ experiments carried out at deep underground laboratories such as that of Žsp” in Sweden. One of the key aspects for performance assessment concerns to groundwater redox conditions because: (a) the presence of oxygen will affect to the corrosion of canisters, (b) possible production of hydrogen sulphide from sulphate reduction will also have a negative effect on these metallic containers, and (c) several long-lived radionuclides are much more soluble and mobile under oxidizing conditions. Several projects have been performed at Žsp” to investigate different aspects of the groundwater redox evolution. The vast amount of in situ-generated information has been used in this work to set up coupled hydrobiogeochemical models. Numerical models account for saturated groundwater flow, solute transport by advection, dispersion and molecular diffusion, geochemical reactions involving both the liquid and solid phases, and microbially-catallyzed processes. For the Žsp” site, modelling results provide quantitative support for the following conclusions. (A) At the operational phase of the repository, shallow fresh groundwater could reach the depth of the underground facility. Shallow groundwaters loose dissolved oxygen during the infiltration through soil layers and then, respiration of dissolved organic matter is induced along the flow paths through the reduction of Fe(III)-bearing minerals of the fracture zones. Microbial anaerobic respiration of DOC provides additional reducing capacity at the depth of the tunnel. (B) After repository closure, atmospheric oxygen will remain trapped within the tunnel. Abiotic consumption of this oxygen has been

  8. Exposure-time based modeling of nonlinear reactive transport in porous media subject to physical and geochemical heterogeneity.

    PubMed

    Sanz-Prat, Alicia; Lu, Chuanhe; Amos, Richard T; Finkel, Michael; Blowes, David W; Cirpka, Olaf A

    2016-09-01

    the two types of biomass at late times. Results obtained by mapping the exposure-time based results to the two-dimensional domain are compared with simulations based on the two-dimensional, spatially explicit advection-dispersion-reaction equation. Once quasi-steady state has been reached, we find a good agreement in terms of the chemical-compound concentrations between the two approaches inside the reactive zones, whereas the exposure-time based model is not able to capture reactions occurring in the zones with zero electron-donor release. We conclude that exposure-time models provide good approximations of nonlinear bio-reactive transport when transverse mixing is not the overall controlling process and all reactions are essentially restricted to distinct reactive zones.

  9. Exposure-time based modeling of nonlinear reactive transport in porous media subject to physical and geochemical heterogeneity

    NASA Astrophysics Data System (ADS)

    Sanz-Prat, Alicia; Lu, Chuanhe; Amos, Richard T.; Finkel, Michael; Blowes, David W.; Cirpka, Olaf A.

    2016-09-01

    the two types of biomass at late times. Results obtained by mapping the exposure-time based results to the two-dimensional domain are compared with simulations based on the two-dimensional, spatially explicit advection-dispersion-reaction equation. Once quasi-steady state has been reached, we find a good agreement in terms of the chemical-compound concentrations between the two approaches inside the reactive zones, whereas the exposure-time based model is not able to capture reactions occurring in the zones with zero electron-donor release. We conclude that exposure-time models provide good approximations of nonlinear bio-reactive transport when transverse mixing is not the overall controlling process and all reactions are essentially restricted to distinct reactive zones.

  10. 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

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

    NASA Astrophysics Data System (ADS)

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

    2013-05-01

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

  12. Laboratory experiments on dispersive transport across interfaces: The role of flow direction

    SciTech Connect

    Berkowitz, B.; Cortis, A.; Dror, I.; Scher, H.

    2009-04-01

    We present experimental evidence of asymmetrical dispersive transport of a conservative tracer across interfaces between different porous materials. Breakthrough curves are measured for tracer pulses that migrate in a steady state flow field through a column that contains adjacent segments of coarse and fine porous media. The breakthrough curves show significant differences in behavior, with tracers migrating from fine medium to coarse medium arriving significantly faster than those from coarse medium to fine medium. As the flow rate increases, the differences between the breakthrough curves diminish. We argue that this behavior indicates the occurrence of significant, time-dependent tracer accumulation in the resident concentration profile across the heterogeneity interface. Conventional modeling using the advection-dispersion equation is demonstrated to be unable to capture this asymmetric behavior. However, tracer accumulation at the interface has been observed in particle-tracking simulations, which may be related to the asymmetry in the observed breakthrough curves.

  13. Next Generation Transport Phenomenology Model

    NASA Technical Reports Server (NTRS)

    Strickland, Douglas J.; Knight, Harold; Evans, J. Scott

    2004-01-01

    This report describes the progress made in Quarter 3 of Contract Year 3 on the development of Aeronomy Phenomenology Modeling Tool (APMT), an open-source, component-based, client-server architecture for distributed modeling, analysis, and simulation activities focused on electron and photon transport for general atmospheres. In the past quarter, column emission rate computations were implemented in Java, preexisting Fortran programs for computing synthetic spectra were embedded into APMT through Java wrappers, and work began on a web-based user interface for setting input parameters and running the photoelectron and auroral electron transport models.

  14. High resolution characterization of aquifers to improve flow and transport models of highly heterogeneous media

    NASA Astrophysics Data System (ADS)

    Dogan Diker, Mine

    Aquifers are the primary sources of clean drinking water. Pollution in aquifers is one of the most challenging and important environmental problems. It is not only extremely complex to map but also difficult to remediate. Flow and transport of water and pollutants in porous media requires detailed characterization of the properties of the media. The main property which controls the flow and transport is hydraulic conductivity (K), which can be defined as the ability of the media to let the water flow through. Intensive studies to map the distribution of hydraulic conductivity are necessary to model the plume migration. Conventional in-situ aquifer characterization techniques are invasive and lack the necessary high resolution. Therefore, novel methods are required to improve the methods to monitor and simulate the flow and transport through aquifers. This study introduces a combination of novel techniques to provide the necessary information related to porous media. The proposed method was tested at a highly heterogeneous site called the Macro Dispersion Experiment (MADE) site in Mississippi. The MADE site is a very well studied site where several large scale tracer tests were conducted in the 1980s and 1990s. The tracers used for these tests were monitored using more than 300 multi-level sampler (MLS) wells. Concentration measurements showed that the majority of the mass stayed near the injection area, whereas minute concentrations were measured further down-gradient. This behavior is significantly different from the simulations created using models based on the Advection-Dispersion Equation (ADE). This behavior and the inability to explain this using most models has led to a major debate in the hydrologic science community. The hypothesis of this study is that the ADE based models can reproduce simulations of the measured transport when the models are parameterized with sufficient high-resolution hydraulic conductivity data. Two novel high resolution

  15. Mathematical Modeling of Kidney Transport

    PubMed Central

    Layton, Anita T.

    2013-01-01

    In addition to metabolic waste and toxin excretion, the kidney also plays an indispensable role in regulating the balance of water, electrolytes, nitrogen, and acid-base. In this review, we describe representative mathematical models that have been developed to better understand kidney physiology and pathophysiology, including the regulation of glomerular filtration, the regulation of renal blood flow by means of the tubuloglomerular feedback mechanisms and of the myogenic mechanism, the urine concentrating mechanism, epithelial transport, and regulation of renal oxygen transport. We discuss the extent to which these modeling efforts have expanded our understanding of renal function in both health and disease. PMID:23852667

  16. 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.

  17. Sediment Capping and Natural Recovery, Contaminant Transport Fundamentals With Applications to Sediment Caps

    DTIC Science & Technology

    2005-09-01

    the diffusion model and the advection-dispersion model include a second-order derivative of concentration with respect to distance ( M2C /Mz2 or M/Mz...dispersion are ignored, the hydrodynamic dispersion coefficient (DLZ) can be set equal to zero, and the terms DLZ /R  M2C /Mz2 and DLZ M2C /Mz2 drop from

  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. WASP TRANSPORT MODELING AND WASP ECOLOGICAL MODELING

    EPA Science Inventory

    A combination of lectures, demonstrations, and hands-on excercises will be used to introduce pollutant transport modeling with the U.S. EPA's general water quality model, WASP (Water Quality Analysis Simulation Program). WASP features include a user-friendly Windows-based interfa...

  20. Modeling E. coli Release And Transport In A Creek During Artificial High-Flow Events

    NASA Astrophysics Data System (ADS)

    Yakirevich, A.; Pachepsky, Y. A.; Gish, T. J.; Cho, K.; Shelton, D. R.; Kuznetsov, M. Y.

    2012-12-01

    In-stream fate and transport of E. coli, is a leading indicator of microbial contamination of natural waters, and so needs to be understood to eventually minimize surface water contamination by microbial organisms. The objective of this work was to simulate E. coli release and transport from soil sediment in a creek bed both during and after high water flow events. The artificial high-water flow events were created by releasing 60-80 m3 of city water on a tarp-covered stream bank at a rate of 60 L/s in four equal allotments in July of 2008, 2009 and 2010. The small first-order creek used in this study is part of the Beaver Dam Creek Tributary and is located at the USDA Optimizing Production inputs for Economic and Environmental Enhancement (OPE3) research site, in Beltsville, Maryland. In 2009 and 2010 a conservative tracer difluorobenzoic acid (DFBA) was added to the released water. Specifically, water flow rates, E. coli and DFBA concentrations as well as water turbidity were monitored with automated samplers at the ends of the three in-stream weirs reaching a total length of 630 m. Sediment particle size distributions and the streambed E. coli concentrations were measured along a creek before and after experiment. The observed DFBA breakthrough curves (BTCs) exhibited long tails after the water pulse and tracer peaks indicating that transient storage might be an important element of the in-stream transport process. Turbidity and E. coli BTCs also exhibited long tails indicative of transient storage and low rates of settling caused by re-entrainment. Typically, turbidity peaked prior to E. coli and returned to lower base-line levels more rapidly. A one-dimensional model was applied to simulate water flow, 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 advection-dispersion, lateral inflow/outflow, exchange with the transient storage

  1. 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.

  2. Modeling axisymmetric flow and transport

    USGS Publications Warehouse

    Langevin, C.D.

    2008-01-01

    Unmodified versions of common computer programs such as MODFLOW, MT3DMS, and SEAWAT that use Cartesian geometry can accurately simulate axially symmetric ground water flow and solute transport. Axisymmetric flow and transport are simulated by adjusting several input parameters to account for the increase in flow area with radial distance from the injection or extraction well. Logarithmic weighting of interblock transmissivity, a standard option in MODFLOW, can be used for axisymmetric models to represent the linear change in hydraulic conductance within a single finite-difference cell. Results from three test problems (ground water extraction, an aquifer push-pull test, and upconing of saline water into an extraction well) show good agreement with analytical solutions or with results from other numerical models designed specifically to simulate the axisymmetric geometry. Axisymmetric models are not commonly used but can offer an efficient alternative to full three-dimensional models, provided the assumption of axial symmetry can be justified. For the upconing problem, the axisymmetric model was more than 1000 times faster than an equivalent three-dimensional model. Computational gains with the axisymmetric models may be useful for quickly determining appropriate levels of grid resolution for three-dimensional models and for estimating aquifer parameters from field tests.

  3. Modeling axisymmetric flow and transport.

    PubMed

    Langevin, Christian D

    2008-01-01

    Unmodified versions of common computer programs such as MODFLOW, MT3DMS, and SEAWAT that use Cartesian geometry can accurately simulate axially symmetric ground water flow and solute transport. Axisymmetric flow and transport are simulated by adjusting several input parameters to account for the increase in flow area with radial distance from the injection or extraction well. Logarithmic weighting of interblock transmissivity, a standard option in MODFLOW, can be used for axisymmetric models to represent the linear change in hydraulic conductance within a single finite-difference cell. Results from three test problems (ground water extraction, an aquifer push-pull test, and upconing of saline water into an extraction well) show good agreement with analytical solutions or with results from other numerical models designed specifically to simulate the axisymmetric geometry. Axisymmetric models are not commonly used but can offer an efficient alternative to full three-dimensional models, provided the assumption of axial symmetry can be justified. For the upconing problem, the axisymmetric model was more than 1000 times faster than an equivalent three-dimensional model. Computational gains with the axisymmetric models may be useful for quickly determining appropriate levels of grid resolution for three-dimensional models and for estimating aquifer parameters from field tests.

  4. Modeling Radionuclide Transport in Clays

    SciTech Connect

    Zheng, Liange; Li, Lianchong; Rutqvist, Jonny; Liu, Hui -Hai; Birkholzer, Jens

    2012-05-01

    tests (e.g. Garcia-Gutierrez et al. 2006, Soler et al. 2008, van Loon et al. 2004, Wu et al. 2009) and numerical modeling (de Windt et al. 2003; 2006), the effects of THMC processes on radionuclide transport are not fully investigated. The objectives of the research activity documented in this report are to improve a modeling capability for coupled THMC processes and to use it to evaluate the THMC impacts on radionuclide transport. This research activity addresses several key Features, Events and Processes (FEPs), including FEP 2.2.08, Hydrologic Processes, FEP 2.2.07, Mechanical Processes and FEP 2.2.09, Chemical Process— Transport, by studying near-field coupled THMC processes in clay/shale repositories and their impacts on radionuclide transport. This report documents the progress that has been made in FY12. Section 2 discusses the development of THMC modeling capability. Section 3 reports modeling results of THMC impacts on radionuclide transport. Planned work for the remaining months of FY12 and proposed work for FY13 are presented in Section 4.

  5. 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.

  6. Modelling E. coli transport in soil columns: simulation of wastewater reuse in agriculture.

    PubMed

    Smith, Edward; Badawy, Aimen

    2008-01-01

    Transport of E. coli bacteria was investigated in laboratory soil columns for three Egyptian agricultural soils, with aim toward determining a set of site specific criteria for safe and sustainable use of treated wastewater in irrigation in Egypt. In particular, the impacts of varying soil type and hydraulic loading rate (HLR) on E. coli effluent breakthrough curves were examined in the laboratory and simulated using the CXTFIT package to solve a one-dimensional mass transport equation that included advection, dispersion, adsorption, and straining/filtration. The attempt was made to measure the coefficients associated with each mass transfer process from independent experiments. The HLR used in irrigation was found to exert considerable influence on the impact of transport processes on E. coli breakthrough. At low HLRs, adsorption and straining/filtration are significant in addition to advection and dispersion. However, at high HLRs approaching flood irrigation, E. coli is essentially unaffected by reaction processes, with breakthrough a function of advection and dispersion only. Estimating Kd via independent batch experiments did not provide a suitable description of adsorption of E. coli in soil columns. To ensure safe and sustainable reuse of reclaimed wastewater in irrigation, guidelines should account for physical and chemical properties of the soil and other local conditions that may impact residual contaminant transport.

  7. Transport of dissolved organic macromolecules and their effect on the transport of phenanthrene in porous media

    SciTech Connect

    Magee, B.R.; Lion, L.W.; Lemley, A.T. )

    1991-02-01

    The retardation factor (R) of phenanthrene in a sand column was reduced by an average factor of 1.8 in the presence of dissolved organic matter (DOM) derived from soil, suggesting that a phenanthrene-DOM complex enhanced the transport of phenanthrene. Distribution coefficients (K{sub d}'s) were determined in batch and column studies for combinations of phenanthrene and DOM with sand. The retardation factor in the advective-dispersive transport equation was modified to reflect the pressure of a carrier by incorporating both the retardation and pore exclusion of the carrier itself. The best prediction of phenanthrene transport in the presence of DOM was provided by modeling the retardation by using two K{sub d}'s derived from column experiments of DOM alone and phenanthrene alone, along with the K{sub d} for phenanthrene binding to DOM. Sensitivity analyses indicated that the critical model parameters are the distribution coefficients for the hydrophobic pollutant binding to the stationary phase and binding to the carrier, as well as the carrier concentration.

  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. Coupled transport in rotor models

    NASA Astrophysics Data System (ADS)

    Iubini, S.; Lepri, S.; Livi, R.; Politi, A.

    2016-08-01

    Steady nonequilibrium states are investigated in a one-dimensional setup in the presence of two thermodynamic currents. Two paradigmatic nonlinear oscillators models are investigated: an XY chain and the discrete nonlinear Schrödinger equation. Their distinctive feature is that the relevant variable is an angle in both cases. We point out the importance of clearly distinguishing between energy and heat flux. In fact, even in the presence of a vanishing Seebeck coefficient, a coupling between (angular) momentum and energy arises, mediated by the unavoidable presence of a coherent energy flux. Such a contribution is the result of the ‘advection’ induced by the position-dependent angular velocity. As a result, in the XY model, the knowledge of the two diagonal elements of the Onsager matrix suffices to reconstruct its transport properties. The analysis of the nonequilibrium steady states finally allows to strengthen the connection between the two models.

  10. Transport Properties for Combustion Modeling

    SciTech Connect

    Brown, N.J.; Bastein, L.; Price, P.N.

    2010-02-19

    This review examines current approximations and approaches that underlie the evaluation of transport properties for combustion modeling applications. Discussed in the review are: the intermolecular potential and its descriptive molecular parameters; various approaches to evaluating collision integrals; supporting data required for the evaluation of transport properties; commonly used computer programs for predicting transport properties; the quality of experimental measurements and their importance for validating or rejecting approximations to property estimation; the interpretation of corresponding states; combination rules that yield pair molecular potential parameters for unlike species from like species parameters; and mixture approximations. The insensitivity of transport properties to intermolecular forces is noted, especially the non-uniqueness of the supporting potential parameters. Viscosity experiments of pure substances and binary mixtures measured post 1970 are used to evaluate a number of approximations; the intermediate temperature range 1 < T* < 10, where T* is kT/{var_epsilon}, is emphasized since this is where rich data sets are available. When suitable potential parameters are used, errors in transport property predictions for pure substances and binary mixtures are less than 5 %, when they are calculated using the approaches of Kee et al.; Mason, Kestin, and Uribe; Paul and Warnatz; or Ern and Giovangigli. Recommendations stemming from the review include (1) revisiting the supporting data required by the various computational approaches, and updating the data sets with accurate potential parameters, dipole moments, and polarizabilities; (2) characterizing the range of parameter space over which the fit to experimental data is good, rather than the current practice of reporting only the parameter set that best fits the data; (3) looking for improved combining rules, since existing rules were found to under-predict the viscosity in most cases; (4

  11. 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.

  12. Description and Verification of a Novel Flow and Transport Model for Silicate-Gel Emplacement

    NASA Astrophysics Data System (ADS)

    Walther, M.; Solpuker, U.; Böttcher, N.; Kolditz, O.; Liedl, R.; Schwartz, F. W.

    2013-12-01

    Remediation of contamination is one of the basic tasks associated with groundwater management. While many different methods exist to reduce contaminant mass in situ, there is still a need for research on new approaches to significantly speed-up decontamination and to lower costs. Solpuker et al. (2012) describe flow-tank experiments that utilize dense, viscous silicate solutions to aid in the remediation process. The unique silicate solutions exhibit density-dependent flow and rapid gelation after some time that can be altered by adjusting the solute's composition. Based on the experiments, a novel approach was developed to simulate the behaviour of the rapidly gelating solute. The approach was implenented in the open-source software package OpenGeoSys (Kolditz et al. 2012). Specifically, the method involves simulating two mass transport processes: one is related to the density-dependent flow, while the other does not alter the fluid density but is designed to provide a first order decay process. While both concentrations are subject to standard mass transport processes (i.e. advection, dispersion, diffusion), the difference in the two concentrations yields information on the residence time of the injected solute. This information can be used to calculate the fluid viscosity and the appropriate change in fluid properties when gelation takes place. As with all models that involve the implementation of ';new' physics, it is crucial to verify the ability of the code to rigorously reproduce the vital processes that describe the movement of fluids and solutes. This step is particularly important here because such a density-dependent, viscosity-changing flow and transport process poses unique requirements in terms of stability for the numerical code. Therefore, our theoretical approach was verified successfully against the experimental data for three different gelation behaviors. Comparison of both, laboratory and numerical results, show that the key processes can be

  13. Integrating Hydrogeological, Microbiological, and Geochemical Data Using a Multi-Component Reactive Transport Model: Quantifying the Biogeochemical Evolution of Redox Zones in a Contaminated Aquifer

    NASA Astrophysics Data System (ADS)

    McGuire, J. T.; Phanikumar, M. S.; Long, D. T.; Hyndman, D. W.

    2003-12-01

    Hydrogeological, microbiological, and geochemical processes operating in a shallow sandy aquifer contaminated by waste fuels and chlorinated solvents were integrated using high-resolution mechanistic models. A 3-D, transient, reactive transport model was developed to quantitatively describe coupled processes via thermodynamic and kinetic arguments. The model was created by linking the hydrodynamic model MODFLOW (McDonald and Harbaugh, 1988), with advection, dispersion and user defined kinetic reactions based on RT3D 2.0, (Clement and Jones, 1998) and geochemical model PHREEQC (Parkhurst and Appelo, 1999). This model, BGTK3D 2.0, describes 1) the biodegradation of organic matter based on the influence of transport processes on microbial growth, 2) the complex suite of biogeochemical reactions operating in the aquifer, and 3) sharp chemical gradients. Some key features of this model are an ability to incorporate realistic solid phases to test hypotheses regarding mineral-water interactions, and an ability to accurately describe small-scale biogeochemical cycling (cm variability) observed in the field without oscillations or excessive numerical damping. BGTK3D was used to test hypotheses regarding the evolution of redox chemistry in a contaminated aquifer. The conceptual model that terminal electron accepting processes (TEAPs) distribute themselves sequentially into redox zones down flow path in aqueous systems is often used to interpret how and at what rates organic compounds will be degraded in the environment. Geochemical and microbiological data collected from a mixed contaminant plume at the former Wurtsmith AFB in Oscoda, Michigan suggests that under steady-state, mature plume conditions, traditional redox zonation may not be a realistic model of the distribution of TEAPs and therefore may not be the best model to evaluate the potential degradation of organic compounds. Based on these data, a conceptual model of TEAP evolution in contaminated systems was

  14. Modeling energy transport in nanostructures

    NASA Astrophysics Data System (ADS)

    Pattamatta, Arvind

    Heat transfer in nanostructures differ significantly from that in the bulk materials since the characteristic length scales associated with heat carriers, i.e., the mean free path and the wavelength, are comparable to the characteristic length of the nanostructures. Nanostructure materials hold the promise of novel phenomena, properties, and functions in the areas of thermal management and energy conversion. Example of thermal management in micro/nano electronic devices is the use of efficient nanostructured materials to alleviate 'hot spots' in integrated circuits. Examples in the manipulation of heat flow and energy conversion include nanostructures for thermoelectric energy conversion, thermophotovoltaic power generation, and data storage. One of the major challenges in Metal-Oxide Field Effect Transistor (MOSFET) devices is to study the 'hot spot' generation by accurately modeling the carrier-optical phonon-acoustic phonon interactions. Prediction of hotspot temperature and position in MOSFET devices is necessary for improving thermal design and reliability of micro/nano electronic devices. Thermoelectric properties are among the properties that may drastically change at nanoscale. The efficiency of thermoelectric energy conversion in a material is measured by a non-dimensional figure of merit (ZT) defined as, ZT = sigmaS2T/k where sigma is the electrical conductivity, S is the Seebeck coefficient, T is the temperature, and k is the thermal conductivity. During the last decade, advances have been made in increasing ZT using nanostructures. Three important topics are studied with respect to energy transport in nanostructure materials for micro/nano electronic and thermoelectric applications; (1) the role of nanocomposites in improving the thermal efficiency of thermoelectric devices, (2) the interfacial thermal resistance for the semiconductor/metal contacts in thermoelectric devices and for metallic interconnects in micro/nano electronic devices, (3) the

  15. Model transport directional solidification apparatus

    SciTech Connect

    Mason, J.T.; Eshelman, M.A.

    1986-07-01

    A model transport directional solidification apparatus is described. It has three functional components, each of which are described: the temperature gradient stage, the motor and drive mechanism, and the measuring systems. A small amount of sample is held between two glass slides on the temperature gradient stage so that the portion of sample in the hot chamber is molten and the portion in the cold chamber is solidified. Conditions are set so that the solid-liquid interface occurs in the gap between the chambers and can be observed through the microscope system. In-situ directional solidification is observed by driving the sample from the hot chamber to the cold chamber and observing the solidification process as it occurs. (LEW)

  16. Modeling Transport Through Synthetic Nanopores

    PubMed Central

    Aksimentiev, Aleksei; Brunner, Robert K.; Cruz-Chú, Eduardo; Comer, Jeffrey; Schulten, Klaus

    2011-01-01

    Nanopores in thin synthetic membranes have emerged as convenient tools for high-throughput single-molecule manipulation and analysis. Because of their small sizes and their ability to selectively transport solutes through otherwise impermeable membranes, nanopores have numerous potential applications in nanobiotechnology. For most applications, properties of the nanopore systems have to be characterize at the atomic level, which is currently beyond the limit of experimental methods. Molecular dynamics (MD) simulations can provide the desired information, however several technical challenges have to be met before this method can be applied to synthetic nanopore systems. Here, we highlight our recent work on modeling synthetic nanopores of the most common types. First, we describe a novel graphical tool for setting up all-atom systems incorporating inorganic materials and biomolecules. Next, we illustrate the application of the MD method for silica, silicon nitride, and polyethylene terephthalate nanopores. Following that, we describe a method for modeling synthetic surfaces using a bias potential. Future directions for tool development and nanopore modeling are briefly discussed at the end of this article. PMID:21909347

  17. Full-scale demonstration of in situ cometabolic biodegradation of trichloroethylene in groundwater 2. Comprehensive analysis of field data using reactive transport modeling

    NASA Astrophysics Data System (ADS)

    Gandhi, Rahul K.; Hopkins, Gary D.; Goltz, Mark N.; Gorelick, Steven M.; McCarty, Perry L.

    2002-04-01

    We present an analysis of an extensively monitored full-scale field demonstration of in situ treatment of trichloroethylene (TCE) contamination by aerobic cometabolic biodegradation. The demonstration was conducted at Edwards Air Force Base in southern California. There are two TCE-contaminated aquifers at the site, separated from one another by a clay aquitard. The treatment system consisted of two recirculating wells located 10 m apart. Each well was screened in both of the contaminated aquifers. Toluene, oxygen, and hydrogen peroxide were added to the water in both wells. At one well, water was pumped from the upper aquifer to the lower aquifer. In the other well, pumping was from the lower to the upper aquifer. This resulted in a ``conveyor belt'' flow system with recirculation between the two aquifers. The treatment system was successfully operated for a 410 day period. We explore how well a finite element reactive transport model can describe the key processes in an engineered field system. Our model simulates TCE, toluene, oxygen, hydrogen peroxide, and microbial growth/death. Simulated processes include advective-dispersive transport, biodegradation, the inhibitory effect of hydrogen peroxide on biomass growth, and oxygen degassing. Several parameter values were fixed to laboratory values or values from previous modeling studies. The remaining six parameter values were obtained by calibrating the model to 7213 TCE concentration data and 6997 dissolved oxygen concentration data collected during the demonstration using a simulation-regression procedure. In this complex flow field involving reactive transport, TCE and dissolved oxygen concentration histories are matched very well by the calibrated model. Both simulated and observed toluene concentrations display similar high-frequency oscillations due to pulsed toluene injection approximately one half hour during each 8 hour period. Simulation results indicate that over the course of the demonstration, 6.9 kg

  18. Three-dimensional simulation of groundwater flow and transport of chemical and low-level radioactive constituents within two production areas of the Savannah River Plant

    SciTech Connect

    Stephenson, D.E.; Looney, B.B.; Andrews, C.B.; Buss, D.R.

    1987-01-01

    Modeling of transport in the environmental media was performed. Predicting the future performance of any waste site or facility and postulated actions in terms of migration of potential hazardous materials requires mathematical models capable of simulating flow and transport in the groundwater. Three-dimensional groundwater flow and transport models were developed to simulate the groundwater movement and contaminant transport in the Raw Materials Fabrication Area and the Separations Area. The overall objective of the analysis was to develop groundwater flow models that quantifies the rate and direction of the groundwater movement from the waste sites to points of discharge. The USGS Modular 3D model uses the strongly implicit procedure to solve sets of simultaneous finite-difference equations that represent the groundwater flow process. The transport functions, which are the concentration or mass flux at time t due to continuous injection starting at time t', were obtained by solving the three-dimensional advection-dispersion equations using the Sandia Waste Isolation Flow and Transport (SWIFT) model. 5 refs., 7 figs., 2 tabs.

  19. 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.

  20. RADIONUCLIDE TRANSPORT MODELS UNDER AMBIENT CONDITIONS

    SciTech Connect

    S. Magnuson

    2004-11-01

    The purpose of this model report is to document the unsaturated zone (UZ) radionuclide transport model, which evaluates, by means of three-dimensional numerical models, the transport of radioactive solutes and colloids in the UZ, under ambient conditions, from the repository horizon to the water table at Yucca Mountain, Nevada.

  1. 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

  2. Co-transport of chlordecone and sulfadiazine in the presence of functionalized multi-walled carbon nanotubes in soils.

    PubMed

    Zhang, Miaoyue; Engelhardt, Irina; Šimůnek, Jirka; Bradford, Scott A; Kasel, Daniela; Berns, Anne E; Vereecken, Harry; Klumpp, Erwin

    2017-02-01

    Batch and saturated soil column experiments were conducted to investigate sorption and mobility of two (14)C-labeled contaminants, the hydrophobic chlordecone (CLD) and the sulfadiazine (SDZ), in the absence or presence of functionalized multi-walled carbon nanotubes (MWCNTs). The transport behaviors of CLD, SDZ, and MWCNTs were studied at environmentally relevant concentrations (0.1-10 mg L(-1)) and they were applied in the column studies at different times. The breakthrough curves and retention profiles were simulated using a numerical model that accounted for the advective-dispersive transport of all compounds, attachment/detachment of MWCNTs, equilibrium and kinetic sorption of contaminants, and co-transport of contaminants with MWCNTs. The experimental results indicated that the presence of mobile MWCNTs facilitated remobilization of previously deposited CLD and its co-transport into deeper soil layers, while retained MWCNTs enhanced SDZ deposition in the topsoil layers due to the increased adsorption capacity of the soil. The modeling results then demonstrated that the mobility of engineered nanoparticles (ENPs) in the environment and the high affinity and entrapment of contaminants to ENPs were the main reasons for ENP-facilitated contaminant transport. On the other hand, immobile MWCNTs had a less significant impact on the contaminant transport, even though they were still able to enhance the adsorption capacity of the soil.

  3. Flipping the thin film model: Mass transfer by hyporheic exchange in gaining and losing streams

    NASA Astrophysics Data System (ADS)

    McCluskey, Alexander H.; Grant, Stanley B.; Stewardson, Michael J.

    2016-10-01

    The exchange of mass between a stream and its hyporheic zone, or "hyporheic exchange," is central to many important ecosystem services. In this paper we show that mass transfer across the streambed by linear mechanisms of hyporheic exchange in a gaining or losing stream can be represented by a thin film model in which (a) the mass transfer coefficient is replaced with the average Darcy flux of water downwelling into the sediment and (b) the driving force for mass transfer is "flipped" from normal to the surface (concentration difference across a boundary layer) to parallel to the surface (concentration difference across downwelling and upwelling zones). Our analysis is consistent with previously published analytical, computational, and experimental studies of hyporheic exchange in the presence of stream-groundwater interactions, and links stream network, advection-dispersion, and stochastic descriptions of solute fate and transport in rivers.

  4. Riparian seed dispersal: transport and depositional processes

    NASA Astrophysics Data System (ADS)

    Cunnings, A.; Johnson, E. A.; Martin, Y. E.

    2012-04-01

    Riparian tree population dynamics are linked to the physical processes controlled by the hydrogeomorphic setting. In particular, fluvial seed dispersal is influenced by a combination of factors including the hydrology, fluvial geomorphology, and seed dispersal traits. This study examines the influence of stream flow patterns on the transportation and deposition of buoyant seeds by applying a one dimensional transport model. Conceptually, the model separates the stream into two components: the main channel and transient storage /deposition zones. The hydrologic processes are governed by an advection-dispersion equation and numerically solved using the Crank-Nicolson method. Additional terms in the equation allow for model variation in the flow regime (lateral inflow and outflow) and the incorporation of a transient storage/deposition component where seeds may be detained. The model parameters are based on a bedrock-gravel bed river with pool-riffle morphology where we conducted field experimentation in Coastal Northern California. The riparian zone of the study reach is inhabited by White Alder (Alnus rhombifolia) which disperses buoyant seeds in late winter/early spring coinciding with the latter part of the wet, Mediterranean climate. Artificial seeds with similar characteristic traits of buoyancy, density and Bond Number to White Alder seeds were used to quantify transport times and identify storage areas. The model output captures a greater number of seeds during a receding hydrograph due to the increase in transient storage. Typically, this is found in shallow stream margins where the flow is divergent such as areas with back-eddies. In the field, this is associated with the ends of gravel bars or riffles where flow expansion causes secondary flows. The results demonstrate the importance of transient storage for seed transport and depositional processes and emphasize the need for improved measurement techniques, in lieu of empirical coefficients, to advance the

  5. 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:

  6. 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.

  7. Highly parameterized inversion of groundwater reactive transport for a complex field site

    NASA Astrophysics Data System (ADS)

    Carniato, Luca; Schoups, Gerrit; van de Giesen, Nick; Seuntjens, Piet; Bastiaens, Leen; Sapion, Hans

    2015-02-01

    In this study a numerical groundwater reactive transport model of a shallow groundwater aquifer contaminated with volatile organic compounds is developed. In addition to advective-dispersive transport, the model includes contaminant release from source areas, natural attenuation, abiotic degradation by a permeable reactive barrier at the site, and dilution by infiltrating rain. Aquifer heterogeneity is parameterized using pilot points for hydraulic conductivity, specific yield and groundwater recharge. A methodology is developed and applied to estimate the large number of parameters from the limited data at the field site (groundwater levels, groundwater concentrations of multiple chemical species, point-scale measurements of soil hydraulic conductivity, and lab-scale derived information on chemical and biochemical reactions). The proposed methodology relies on pilot point parameterization of hydraulic parameters and groundwater recharge, a regularization procedure to reconcile the large number of spatially distributed model parameters with the limited field data, a step-wise approach for integrating the different data sets into the model, and high performance computing. The methodology was proven to be effective in reproducing multiple contaminant plumes and in reducing the prior parameter uncertainty of hydraulic conductivity and groundwater recharge. Our results further indicate that contaminant transport predictions are strongly affected by the choice of the groundwater recharge model and flow parameters should be identified using both head and concentration measurements.

  8. Highly parameterized inversion of groundwater reactive transport for a complex field site.

    PubMed

    Carniato, Luca; Schoups, Gerrit; van de Giesen, Nick; Seuntjens, Piet; Bastiaens, Leen; Sapion, Hans

    2015-02-01

    In this study a numerical groundwater reactive transport model of a shallow groundwater aquifer contaminated with volatile organic compounds is developed. In addition to advective-dispersive transport, the model includes contaminant release from source areas, natural attenuation, abiotic degradation by a permeable reactive barrier at the site, and dilution by infiltrating rain. Aquifer heterogeneity is parameterized using pilot points for hydraulic conductivity, specific yield and groundwater recharge. A methodology is developed and applied to estimate the large number of parameters from the limited data at the field site (groundwater levels, groundwater concentrations of multiple chemical species, point-scale measurements of soil hydraulic conductivity, and lab-scale derived information on chemical and biochemical reactions). The proposed methodology relies on pilot point parameterization of hydraulic parameters and groundwater recharge, a regularization procedure to reconcile the large number of spatially distributed model parameters with the limited field data, a step-wise approach for integrating the different data sets into the model, and high performance computing. The methodology was proven to be effective in reproducing multiple contaminant plumes and in reducing the prior parameter uncertainty of hydraulic conductivity and groundwater recharge. Our results further indicate that contaminant transport predictions are strongly affected by the choice of the groundwater recharge model and flow parameters should be identified using both head and concentration measurements.

  9. Two-point model for divertor transport

    SciTech Connect

    Galambos, J.D.; Peng, Y.K.M.

    1984-04-01

    Plasma transport along divertor field lines was investigated using a two-point model. This treatment requires considerably less effort to find solutions to the transport equations than previously used one-dimensional (1-D) models and is useful for studying general trends. It also can be a valuable tool for benchmarking more sophisticated models. The model was used to investigate the possibility of operating in the so-called high density, low temperature regime.

  10. Upscaling multi-component reactive transport in presence of connected subsurface structures

    NASA Astrophysics Data System (ADS)

    Willmann, M.; Mañé, R.; Tyukhova, A.

    2015-12-01

    Heterogeneity in hydraulic conductivity leads to incomplete mixing. Upscaling using the dispersion tensor in the advection-dispersion equation overestimates local mixing. Modelling multi-component reactive transport leads to an overestimation of reaction rates and overall reactions. Multi-rate mass transfer was shown previously to better represent mixing. But it is still unclear under what conditions this linear model is able to represent the underlying non-linear process. We study explicit multi-component transport in heterogeneous aquifers for the example of calcite-dissolution. We compare different types of heterogeneity from intermediately well connected (multigaussian) fields to very well connected fields. The fundamental difference stems from their connectivity structure. We observe for the well connected field different dominating channels with an almost uniform advective velocity while the multigaussian fields show dominating channels with a varying advective velocity. Then, we compare our results with an effective reactive mass transfer model where the distribution of exchanges rates or the memory function are derived from information of the hydraulic conductivity field only. We see that reactive multi-rate models show a good agreement for the well connected fields where the connected channels are more or less homogeneous and the immobile inclusions are of more or less equal size. We find connectivity important for upscaling reactive transport in highly heterogeneous conductivity fields.

  11. Uncertainty in tsunami sediment transport modeling

    USGS Publications Warehouse

    Jaffe, Bruce E.; Goto, Kazuhisa; Sugawara, Daisuke; Gelfenbaum, Guy R.; La Selle, SeanPaul M.

    2016-01-01

    Erosion and deposition from tsunamis record information about tsunami hydrodynamics and size that can be interpreted to improve tsunami hazard assessment. We explore sources and methods for quantifying uncertainty in tsunami sediment transport modeling. Uncertainty varies with tsunami, study site, available input data, sediment grain size, and model. Although uncertainty has the potential to be large, published case studies indicate that both forward and inverse tsunami sediment transport models perform well enough to be useful for deciphering tsunami characteristics, including size, from deposits. New techniques for quantifying uncertainty, such as Ensemble Kalman Filtering inversion, and more rigorous reporting of uncertainties will advance the science of tsunami sediment transport modeling. Uncertainty may be decreased with additional laboratory studies that increase our understanding of the semi-empirical parameters and physics of tsunami sediment transport, standardized benchmark tests to assess model performance, and development of hybrid modeling approaches to exploit the strengths of forward and inverse models.

  12. Charge-transport model for conducting polymers

    NASA Astrophysics Data System (ADS)

    Dongmin Kang, Stephen; Jeffrey Snyder, G.

    2016-11-01

    The growing technological importance of conducting polymers makes the fundamental understanding of their charge transport extremely important for materials and process design. Various hopping and mobility edge transport mechanisms have been proposed, but their experimental verification is limited to poor conductors. Now that advanced organic and polymer semiconductors have shown high conductivity approaching that of metals, the transport mechanism should be discernible by modelling the transport like a semiconductor with a transport edge and a transport parameter s. Here we analyse the electrical conductivity and Seebeck coefficient together and determine that most polymers (except possibly PEDOT:tosylate) have s = 3 and thermally activated conductivity, whereas s = 1 and itinerant conductivity is typically found in crystalline semiconductors and metals. The different transport in polymers may result from the percolation of charge carriers from conducting ordered regions through poorly conducting disordered regions, consistent with what has been expected from structural studies.

  13. 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.

  14. 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.

  15. 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.

  16. Application of an empirical transport model to simulate retention of nanocrystalline titanium dioxide in sand columns.

    PubMed

    Choy, Christine Chin; Wazne, Mahmoud; Meng, Xiaoguang

    2008-04-01

    Nanocrystalline titanium dioxide was injected into sand columns to simulate subsurface injection for creation of a permeable treatment barrier. Past usage of this material as an ex situ pilot scale treatment filter has shown that it has a high adsorption capacity for a number of heavy metals and therefore would be a good candidate for injection technology. Three suspension concentrations (50, 75 and 100 mg l(-1)) were pumped through packed sand columns at different flow velocities (3.0, 6.8 and 14.1 cm min(-1)). Little to no particles was detected in the effluent. Most of the nanoparticles remained in the sand columns, with an increasing then decreasing retained solids pattern. Application of a one-dimensional advection-dispersion flow model, that included two empirical kinetic terms to account for particle retention in the porous media, produced data fits that followed the general trend of the data, but did not truly capture the concentration maxima in the data sets. Discussion of these results highlights the limited ability of existing models to aid in predicting particle retention of non-ideal materials for engineering purposes.

  17. Anomalous transport modelling of tokamak plasmas

    SciTech Connect

    Kinsey, J.; Singer, C.; Malone, G.; Tiouririne, N.

    1992-12-31

    Theory based transport simulations of DIII-D, JET, ITER are compared to experimental data using a combination of anamolous transport models. The Multiple-mode Transport Model is calibrated to a give set of L-mode and H-mode discharges with an emphasis on testing the adequacy of anomalous flux contributions from drift/{eta}{sub i} and resistive ballooning mode theories. A survey of possible additions and/or alternatives to the model from recent theories on neoclassical MHD effects, hot ion modes, circulating electron modes, and high-m tearing modes is also included.

  18. Anomalous transport modelling of tokamak plasmas

    SciTech Connect

    Kinsey, J.; Singer, C.; Malone, G.; Tiouririne, N.

    1992-01-01

    Theory based transport simulations of DIII-D, JET, ITER are compared to experimental data using a combination of anamolous transport models. The Multiple-mode Transport Model is calibrated to a give set of L-mode and H-mode discharges with an emphasis on testing the adequacy of anomalous flux contributions from drift/[eta][sub i] and resistive ballooning mode theories. A survey of possible additions and/or alternatives to the model from recent theories on neoclassical MHD effects, hot ion modes, circulating electron modes, and high-m tearing modes is also included.

  19. Transport of nanoparticles with dispersant through biofilm coated drinking water sand filters.

    PubMed

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

    2013-11-01

    This article characterizes, experimentally and theoretically, the transport and retention of engineered nanoparticles (NP) through sand filters at drinking water treatment plants (DWTPs) under realistic conditions. The transport of four commonly used NPs (ZnO, CeO2, TiO2, and Ag, with bare surfaces and coating agents) through filter beds filled with sands from either acid washed and calcined, freshly acquired filter media, and used filter media from active filter media, were investigated. The study was conducted using water obtained upstream of the sand filter at DWTP. The results have shown that capping agents have a determinant importance in the colloidal stability and transport of NPs through the different filter media. The presence of the biofilm in used filter media increased adsorption of NPs but its effects in retaining capped NPs was less significant. The data was used to build a mathematical model based on the advection-dispersion equation. The model was used to simulate the performance of a scale-up sand filter and the effects on filtration cycle of traditional sand filtration system used in DWTPs.

  20. Polar auxin transport: models and mechanisms.

    PubMed

    van Berkel, Klaartje; de Boer, Rob J; Scheres, Ben; ten Tusscher, Kirsten

    2013-06-01

    Spatial patterns of the hormone auxin are important drivers of plant development. The observed feedback between the active, directed transport that generates auxin patterns and the auxin distribution that influences transport orientation has rendered this a popular subject for modelling studies. Here we propose a new mathematical framework for the analysis of polar auxin transport and present a detailed mathematical analysis of published models. We show that most models allow for self-organised patterning for similar biological assumptions, and find that the pattern generated is typically unidirectional, unless additional assumptions or mechanisms are incorporated. Our analysis thus suggests that current models cannot explain the bidirectional fountain-type patterns found in plant meristems in a fully self-organised manner, and we discuss future research directions to address the gaps in our understanding of auxin transport mechanisms.

  1. Highway and interline transportation routing models

    SciTech Connect

    Joy, D.S.; Johnson, P.E.

    1994-06-01

    The potential impacts associated with the transportation of hazardous materials are important issues to shippers, carriers, and the general public. Since transportation routes are a central characteristic in most of these issues, the prediction of likely routes is the first step toward the resolution of these issues. In addition, US Department of Transportation requirements (HM-164) mandate specific routes for shipments of highway controlled quantities of radioactive materials. In response to these needs, two routing models have been developed at Oak Ridge National Laboratory under the sponsorship of the U.S. Department of Energy (DOE). These models have been designated by DOE`s Office of Environmental Restoration and Waste Management, Transportation Management Division (DOE/EM) as the official DOE routing models. Both models, HIGHWAY and INTERLINE, are described.

  2. NODA for EPA's Updated Ozone Transport Modeling

    EPA Pesticide Factsheets

    Find EPA's NODA for the Updated Ozone Transport Modeling Data for the 2008 Ozone National Ambient Air Quality Standard (NAAQS) along with the ExitExtension of Public Comment Period on CSAPR for the 2008 NAAQS.

  3. Mathematical modeling plasma transport in tokamaks

    SciTech Connect

    Quiang, Ji

    1997-01-01

    In this work, the author applied a systematic calibration, validation and application procedure based on the methodology of mathematical modeling to international thermonuclear experimental reactor (ITER) ignition studies. The multi-mode plasma transport model used here includes a linear combination of drift wave branch and ballooning branch instabilities with two a priori uncertain constants to account for anomalous plasma transport in tokamaks. A Bayesian parameter estimation method is used including experimental calibration error/model offsets and error bar rescaling factors to determine the two uncertain constants in the transport model with quantitative confidence level estimates for the calibrated parameters, which gives two saturation levels of instabilities. This method is first tested using a gyroBohm multi-mode transport model with a pair of DIII-D discharge experimental data, and then applied to calibrating a nominal multi-mode transport model against a broad database using twelve discharges from seven different tokamaks. The calibrated transport model is then validated on five discharges from JT-60 with no adjustable constants. The results are in a good agreement with experimental data. Finally, the resulting class of multi-mode tokamak plasma transport models is applied to the transport analysis of the ignition probability in a next generation machine, ITER. A reference simulation of basic ITER engineering design activity (EDA) parameters shows that a self-sustained thermonuclear burn with 1.5 GW output power can be achieved provided that impurity control makes radiative losses sufficiently small at an average plasma density of 1.2 X 1020/m3 with 50 MW auxiliary heating. The ignition probability of ITER for the EDA parameters, can be formally as high as 99.9% in the present context. The same probability for concept design activity (CDA) parameters of ITER, which has smaller size and lower current, is only 62.6%.

  4. BRYNTRN: A baryon transport model

    NASA Technical Reports Server (NTRS)

    Wilson, John W.; Townsend, Lawrence W.; Nealy, John E.; Chun, Sang Y.; Hong, B. S.; Buck, Warren W.; Lamkin, S. L.; Ganapol, Barry D.; Khan, Ferdous; Cucinotta, Francis A.

    1989-01-01

    The development of an interaction data base and a numerical solution to the transport of baryons through an arbitrary shield material based on a straight ahead approximation of the Boltzmann equation are described. The code is most accurate for continuous energy boundary values, but gives reasonable results for discrete spectra at the boundary using even a relatively coarse energy grid (30 points) and large spatial increments (1 cm in H2O). The resulting computer code is self-contained, efficient and ready to use. The code requires only a very small fraction of the computer resources required for Monte Carlo codes.

  5. Stochastic model of radioiodine transport

    SciTech Connect

    Schwarz, G.; Hoffman, F.O.

    1980-01-01

    A research project has been underway at the Oak Ridge National Laboratory with the objective to evaluate dose assessment models and to determine the uncertainty associated with the model predictions. This has resulted in the application of methods to propagate uncertainties through models. Some techniques and results related to this problem are discussed.

  6. Present research results and communicate the modeling results to science community

    EPA Science Inventory

    Background/Objectives. As a result of subsurface heterogeneity, many field and laboratory studies indicate that the advection-dispersion equation (ADE) model fails to describe the frequently observed long tails of contaminant concentration versus time in a breakthrough curve. T...

  7. Molecular model of the neural dopamine transporter

    NASA Astrophysics Data System (ADS)

    Ravna, Aina Westrheim; Sylte, Ingebrigt; Dahl, Svein G.

    2003-05-01

    The dopamine transporter (DAT) regulates the action of dopamine by reuptake of the neurotransmitter into presynaptic neurons, and is the main molecular target of amphetamines and cocaine. DAT and the Na+/H+ antiporter (NhaA) are secondary transporter proteins that carry small molecules across a cell membrane against a concentration gradient, using ion gradients as energy source. A 3-dimensional projection map of the E. coli NhaA has confirmed a topology of 12 membrane spanning domains, and was previously used to construct a 3-dimensional NhaA model with 12 trans-membrane α-helices (TMHs). The NhaA model, and site directed mutagenesis data on DAT, were used to construct a detailed 3-dimensional DAT model using interactive molecular graphics and empiric force field calculations. The model proposes a dopamine transport mechanism involving TMHs 1, 3, 4, 5, 7 and 11. Asp79, Tyr252 and Tyr274 were the primary cocaine binding residues. Binding of cocaine or its analogue, (-)-2β-carbomethoxy-3β-(4-fluorophenyl)tropane (CFT), seemed to lock the transporter in an inactive state, and thus inhibit dopamine transport. The present model may be used to design further experimental studies of the molecular structure and mechanisms of DAT and other secondary transporter proteins.

  8. 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.

  9. Reduced Dynamic Models in Epithelial Transport

    PubMed Central

    Hernández, Julio A.

    2013-01-01

    Most models developed to represent transport across epithelia assume that the cell interior constitutes a homogeneous compartment, characterized by a single concentration value of the transported species. This conception differs significantly from the current view, in which the cellular compartment is regarded as a highly crowded media of marked structural heterogeneity. Can the finding of relatively simple dynamic properties of transport processes in epithelia be compatible with this complex structural conception of the cell interior? The purpose of this work is to contribute with one simple theoretical approach to answer this question. For this, the techniques of model reduction are utilized to obtain a two-state reduced model from more complex linear models of transcellular transport with a larger number of intermediate states. In these complex models, each state corresponds to the solute concentration in an intermediate intracellular compartment. In addition, the numerical studies reveal that it is possible to approximate a general two-state model under conditions where strict reduction of the complex models cannot be performed. These results contribute with arguments to reconcile the current conception of the cell interior as a highly complex medium with the finding of relatively simple dynamic properties of transport across epithelial cells. PMID:23533397

  10. Model aids cuttings transport prediction

    SciTech Connect

    Gavignet, A.A. ); Sobey, I.J. )

    1989-09-01

    Drilling of highly deviated wells can be complicated by the formation of a thick bed of cuttings at low flow rates. The model proposed in this paper shows what mechanisms control the thickness of such a bed, and the model predictions are compared with experimental results.

  11. 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.

  12. Computational modeling of ion transport through nanopores.

    PubMed

    Modi, Niraj; Winterhalter, Mathias; Kleinekathöfer, Ulrich

    2012-10-21

    Nanoscale pores are ubiquitous in biological systems while artificial nanopores are being fabricated for an increasing number of applications. Biological pores are responsible for the transport of various ions and substrates between the different compartments of biological systems separated by membranes while artificial pores are aimed at emulating such transport properties. As an experimental method, electrophysiology has proven to be an important nano-analytical tool for the study of substrate transport through nanopores utilizing ion current measurements as a probe for the detection. Independent of the pore type, i.e., biological or synthetic, and objective of the study, i.e., to model cellular processes of ion transport or electrophysiological experiments, it has become increasingly important to understand the dynamics of ions in nanoscale confinements. To this end, numerical simulations have established themselves as an indispensable tool to decipher ion transport processes through biological as well as artificial nanopores. This article provides an overview of different theoretical and computational methods to study ion transport in general and to calculate ion conductance in particular. Potential new improvements in the existing methods and their applications are highlighted wherever applicable. Moreover, representative examples are given describing the ion transport through biological and synthetic nanopores as well as the high selectivity of ion channels. Special emphasis is placed on the usage of molecular dynamics simulations which already have demonstrated their potential to unravel ion transport properties at an atomic level.

  13. Modeling gas transport in the Martian subsurface

    NASA Astrophysics Data System (ADS)

    Gloesener, Elodie; Karatekin, Özgür; Dehant, Véronique

    2015-04-01

    Modeling gas transport through Martian subsurface and outgassing processes is essential in the study of atmospheric evolution of Mars. We present an overview of gas transport in Martian soil focusing on water vapor and methane diffusion to explain the recent observations of methane in Martian atmosphere with a diffusive transport model. The range of parameters that have the largest effect on transport in Martian conditions is investigated. Among the possible sources of methane, clathrate hydrates destabilization is one potential mechanism. Hydrate stability zone in subsurface is also investigated. In 2016, ExoMars Trace Gas Orbiter (TGO) will have the capabilities to detect and characterize trace gases in Martian atmosphere and will bring additional information to validate the different possible outgassing scenarios.

  14. Quantifying errors in trace species transport modeling

    PubMed Central

    Prather, Michael J.; Zhu, Xin; Strahan, Susan E.; Steenrod, Stephen D.; Rodriguez, Jose M.

    2008-01-01

    One expectation when computationally solving an Earth system model is that a correct answer exists, that with adequate physical approximations and numerical methods our solutions will converge to that single answer. With such hubris, we performed a controlled numerical test of the atmospheric transport of CO2 using 2 models known for accurate transport of trace species. Resulting differences were unexpectedly large, indicating that in some cases, scientific conclusions may err because of lack of knowledge of the numerical errors in tracer transport models. By doubling the resolution, thereby reducing numerical error, both models show some convergence to the same answer. Now, under realistic conditions, we identify a practical approach for finding the correct answer and thus quantifying the advection error. PMID:19066224

  15. The Community Sediment Transport Modeling System

    DTIC Science & Technology

    2008-01-01

    addition to wave processes, the model includes the influence of flocculation, hindered settling, rheology, and turbulence -suppression by stratification...The extensive upwelling event occurred in March 2002 is better reproduced with evident appearance of submesoscale spiral eddies all over the inner...THE COMMUNITY SEDIMENT TRANSPORT MODELING SYSTEM W. Rockwell Geyer Woods Hole Oceanographic Institution MS 11, Woods Hole, MA 02543 phone

  16. Clinton River Sediment Transport Modeling Study

    EPA Pesticide Factsheets

    The U.S. ACE develops sediment transport models for tributaries to the Great Lakes that discharge to AOCs. The models developed help State and local agencies to evaluate better ways for soil conservation and non-point source pollution prevention.

  17. Radionuclide Transport Models Under Ambient Conditions

    SciTech Connect

    G. Moridis; Q. Hu

    2000-03-12

    The purpose of this Analysis/Model Report (AMR) is to evaluate (by means of 2-D semianalytical and 3-D numerical models) the transport of radioactive solutes and colloids in the unsaturated zone (UZ) under ambient conditions from the potential repository horizon to the water table at Yucca Mountain (YM), Nevada. This is in accordance with the ''AMR Development Plan U0060, Radionuclide Transport Models Under Ambient Conditions'' (CRWMS M and O 1999a). This AMR supports the UZ Flow and Transport Process Model Report (PMR). This AMR documents the UZ Radionuclide Transport Model (RTM). This model considers: the transport of radionuclides through fractured tuffs; the effects of changes in the intensity and configuration of fracturing from hydrogeologic unit to unit; colloid transport; physical and retardation processes and the effects of perched water. In this AMR they document the capabilities of the UZ RTM, which can describe flow (saturated and/or unsaturated) and transport, and accounts for (a) advection, (b) molecular diffusion, (c) hydrodynamic dispersion (with full 3-D tensorial representation), (d) kinetic or equilibrium physical and/or chemical sorption (linear, Langmuir, Freundlich or combined), (e) first-order linear chemical reaction, (f) radioactive decay and tracking of daughters, (g) colloid filtration (equilibrium, kinetic or combined), and (h) colloid-assisted solute transport. Simulations of transport of radioactive solutes and colloids (incorporating the processes described above) from the repository horizon to the water table are performed to support model development and support studies for Performance Assessment (PA). The input files for these simulations include transport parameters obtained from other AMRs (i.e., CRWMS M and O 1999d, e, f, g, h; 2000a, b, c, d). When not available, the parameter values used are obtained from the literature. The results of the simulations are used to evaluate the transport of radioactive solutes and colloids, and

  18. Models for Turbulent Transport Processes.

    ERIC Educational Resources Information Center

    Hill, James C.

    1979-01-01

    Since the statistical theories of turbulence that have developed over the last twenty or thirty years are too abstract and unreliable to be of much use to chemical engineers, this paper introduces the techniques of single point models and suggests some areas of needed research. (BB)

  19. Modeling Vapor and Heat Transport on Io

    NASA Astrophysics Data System (ADS)

    Allen, D. R.; Howell, R. R.

    2012-12-01

    Loki patera, a large, active volcanic depression on Jupiter's innermost Galilean moon Io, shows evidence of sulfur transport and exhibits temperatures that are consistently lower than many other volcanoes on Io. Galileo images of Loki reveal red sulfur deposits exterior to the patera that extend approximately 40 km from the patera's edge. Voyager images show light deposits, colloquially known as sulfur bergs, scattered across the patera floor that range from 3.5 km to 5 km in diameter. In addition, temperature profiles running north to south across the patera vary by only a few degrees and are difficult to explain with current thermal models, which don't include the role of volatiles such as sulfur. We are investigating the role sulfur plays in producing the features seen in images of Loki and in modifying the temperatures at Loki. We used the atmospheric models of Ingersoll (1989) and Moreno et al. (1991) for SO2 transport on Io as a starting point for our own sulfur transport models. We also compared the length scales of deposition predicted by our models and Moreno's models to the morphology and features seen in Galileo and Voyager images. In one case, Ingersoll modeled the sublimation of SO2 from a hot, higher pressure side which moves in one dimension and is deposited on a cold, lower pressure side. Using this case as a starting point, we adapted it for temperatures and pressures appropriate for S8 transport. We also converted his equations to consider the radial expansion of S8 from a point source, which we compared to the models of Moreno et al. (1991). We solved the hot side-cold side Ingersoll adapted model both analytically and numerically and obtained horizontal length scales of sulfur deposition consistent with the red deposits. We scaled the horizontal lengths of SO2 deposition predicted by Moreno's numerical models for S8 and obtained sulfur deposition lengths consistent with the light deposits. In contrast, our radial expansion model gave horizontal

  20. World Energy Projection System Plus Model Documentation: Transportation Model

    EIA Publications

    2011-01-01

    This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) International Transportation model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

  1. Competitive transport of cadmium and lead through a natural porous medium: influence of the solid/liquid interface processes.

    PubMed

    Bianchi, A; Papini, M Petrangeli; Corsi, A; Behra, P; Beccari, M

    2003-01-01

    Contaminated groundwater typically contains different metal contaminants which may compete with each other for the same adsorption sites. Understanding the fate of these micro-pollutants is of primary importance for the assessment of the risk associated with their dispersion in the environment and for the evaluation of the most appropriate remediation technology. In this regard, column techniques can be considered as useful tools both to perform transport experiments and to obtain equilibrium adsorption data without any perturbation of the actual solid/liquid interface. Cd and Pb monocomponent step column experiments were used to obtain adsorption isotherms on a natural aquifer material. A General Composite approach was used to define the equilibrium adsorption model characterized by two types of sites (ion-exchange and surface complexation sites). Coupling the adsorption model with the Advection-Dispersion equation (by IMPACT code) allowed us to well represent the monocomponent step experiments. The model was successfully used to predict the competitive Cd and Pb transport behaviour. Cd peaks of concentration due to Pb competition were experimentally observed and simulated by the model. This behaviour can be described only by an accurate modelling of the interaction and cannot be predicted by simple isotherms (such as Langmuir or Freundlich type).

  2. Modeling Transport of Viruses in Fractured Rock

    NASA Astrophysics Data System (ADS)

    Sleep, B. E.; Mondal, P. K.

    2011-12-01

    Fractured rock aquifers are frequently used for water supply for human consumption. In many instances the fractured rock aquifers are vulnerable to contamination by pathogens, including viruses, due to co-location of on-site septic systems, wastewater discharges, biosolids and agricultural activities. Approximately half of the illnesses associated with groundwater consumption in the Unites States have been attributed to viral contamination. A number of these cases have been related to transport of viruses from septic systems to drinking water wells. Despite the potential for rapid transport of viruses through rock fractures to drinking water wells, the understanding of virus transport in fractured rock is limited. In particular, the impacts of virus size, fracture aperture variability and roughness, matrix porosity, groundwater velocity, and geochemical conditions have not been well studied. In this study, a multidimensional model for virus transport in variable aperture fractures is presented. The model is applied to laboratory experiments on transport of virus-sized latex microspheres (0.02 and 0.2 microns) and bacteriophages (MS2 and PR772) in artificially fractured dolomite rocks. In these experiments significant impacts of particle size, fracture characteristics, groundwater velocity, and geochemistry were observed. Given the variability in aperture distribution and associated spatial variation in groundwater flow field, one-dimensional models were not suitable for a comprehensive evaluation of the mechanisms governing the microsphere and bacteriophage transport. Various relationships for virus retention (attachment and detachment) are evaluated to provide insight into the governing processes in virus transport in fractured rock. In addition, the role of virus size, fracture aperture variability, fracture roughness, fracture surface charge, matrix porosity, groundwater velocity, and ionic strength in virus transport are evaluated. Scale-up to the field is

  3. Geochemical Fate and Transport of Diphenhydramine and Cetirizine in Soil

    NASA Astrophysics Data System (ADS)

    Wireman, R.; Rutherford, C. J.; Vulava, V. M.; Cory, W. C.

    2015-12-01

    Pharmaceuticals compounds presence in natural soils and water around the world has become a growing concern. These compounds are being discharged into the environment through treated wastewater or municipal sludge applications. The main goal of this study is determine their geochemical fate in natural soils. In this study we investigated sorption and transport behavior of diphenhydramine (DPH) and cetirizine (CTZ) in natural soils. These two commonly-used antihistamines are complex aromatic hydrocarbons with polar functional groups. Two clean acidic soils (pH~4.5) were used for these studies - an A-horizon soil that had higher organic matter content (OM, 7.6%) and a B-horizon soil that had lower OM (1.6%), but higher clay content (5.1%). Sorption isotherms were measured using batch reactor experiments. Data indicated that sorption was nonlinear and that it was stronger in clay-rich soils. The pKa's of DPH and CTZ are 8.98 and 8.27 respectively, i.e., these compounds are predominantly in cationic form at soil pH. In these forms, they preferentially sorb to negatively charged mineral surfaces (e.g., clay) present in the soils. Soil clay mineral characterization indicated that kaolinite was the dominant clay mineral present along with small amount of montmorillonite. The nonlinear sorption isotherms were fitted with Freundlich model. Transport behavior of both compounds was measured using glass chromatography columns. As expected both DPH and CTZ were strongly retained in the clay-rich soil as compared with OM-rich soil. The asymmetrical shape of the breakthrough curves indicated that there were likely two separate sorption sites in the soil, each with different reaction rates with each compound. A two-region advection-dispersion transport code was used to model the transport breakthrough curves. There was no evidence of transformation or degradation of the compounds during our sorption and transport studies.

  4. A parametric transfer function methodology for analyzing reactive transport in nonuniform flow.

    PubMed

    Luo, Jian; Cirpka, Olaf A; Fienen, Michael N; Wu, Wei-min; Mehlhorn, Tonia L; Carley, Jack; Jardine, Philip M; Criddle, Craig S; Kitanidis, Peter K

    2006-02-01

    We analyze reactive transport during in-situ bioremediation in a nonuniform flow field, involving multiple extraction and injection wells, by the method of transfer functions. Gamma distributions are used as parametric models of the transfer functions. Apparent parameters of classical transport models may be estimated from those of the gamma distributions by matching temporal moments. We demonstrate the method by application to measured data taken at a field experiment on bioremediation conducted in a multiple-well system in Oak Ridge, TN. Breakthrough curves (BTCs) of a conservative tracer (bromide) and a reactive compound (ethanol) are measured at multi-level sampling (MLS) wells and in extraction wells. The BTCs of both compounds are jointly analyzed to estimate the first-order degradation rate of ethanol. To quantify the tracer loss, we compare the approaches of using a scaling factor and a first-order decay term. Results show that by including a scaling factor both gamma distributions and inverse-Gaussian distributions (transfer functions according to the advection-dispersion equation) are suitable to approximate the transfer functions and estimate the reactive rate coefficients for both MLS and extraction wells. However, using a first-order decay term for tracer loss fails to describe the BTCs at the extraction well, which is affected by the nonuniform distribution of travel paths.

  5. 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.

  6. DAC 22 High Speed Civil Transport Model

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Between tests, NASA research engineer Dave Hahne inspects a tenth-scale model of a supersonic transport model in the 30- by 60-Foot Tunnel at NASA Langley Research Center, Hampton, Virginia. The model is being used in support of NASA's High-Speed Research (HSR) program. Langley researchers are applying advance aerodynamic design methods to develop a wing leading-edge flap system which significantly improves low-speed fuel efficiency and reduces noise generated during takeoff operation. Langley is NASA's lead center for the agency's HSR program, aimed at developing technology to help U.S. industry compete in the rapidly expanding trans-oceanic transport market. A U.S. high-speed civil transport is expected to fly in about the year 2010. As envisioned, it would fly 300 passengers across the Pacific in about four hours at Mach 2.4 (approximately 1,600 mph/1950 kph) for a modest increase over business class fares.

  7. Band transport model for discotic liquid crystals

    NASA Astrophysics Data System (ADS)

    Lever, L. J.; Kelsall, R. W.; Bushby, R. J.

    2005-07-01

    A theoretical model is presented for charge transport in discotic liquid crystals in which a charge is delocalized over more than one lattice site. As such, charge transport is via a banded conduction process in a narrow bandwidth system and takes place over coherent lengths of a few molecules. The coherent lengths are disrupted by the geometrical disorder of the system and are treated as being terminated by quantum tunnel barriers. The transmission probabilities at these barriers have been calculated as a function of the charge carrier energy. Phononic interactions are also considered and the charge carrier scattering rates are calculated for intermolecular and intramolecular vibrations. The results of the calculations have been used to develop a Monte Carlo simulation of the charge transport model. Simulated data are presented and used to discuss the nature of the tunnel barriers required to reproduce experimental data. We find that the model successfully reproduces experimental time of flight data including temperature dependence.

  8. Stratospheric Transport Times From Observations and Models

    NASA Astrophysics Data System (ADS)

    Hoor, P. M.; Lelieveld, J.; Boenisch, H.; Joeckel, P.; Steil, B.; Bruehl, C.; Strahan, S.

    2007-12-01

    Transport time scales in the stratosphere are crucial to understand and calculate the effects of chemical active species on stratospheric chemistry. In general CO2 or SF6 have been used to calculate mean ages of air in the stratosphere, whereas shorter lived trace gases like CO are used to investigate cross tropopause transport and mixing on short time-scales close to the tropopause. Besides mean ages and their assocated mean trace gas mixing ratios at a given point in the atmosphere other quantities of the trace gas distributions can be used to constrain stratospheric transport times, such as variability and slope. In particular the younger part of the age spectrum needs to be constrained since it determines the extent to which shorter lived compounds can be transported into the stratosphere. We investigate transport times in the stratosphere based on observations of CO, N2O and CO2 and test a new approach to deduce transport times. For that purpose we compare observations from the ER-2 and other platforms. The approach is applied to global models (ECHAM5/MESSy, Combo GMI) to identify barriers as well as regions of rapid mixing and transport.

  9. GEOS-5 Chemistry Transport Model User's Guide

    NASA Technical Reports Server (NTRS)

    Kouatchou, J.; Molod, A.; Nielsen, J. E.; Auer, B.; Putman, W.; Clune, T.

    2015-01-01

    The Goddard Earth Observing System version 5 (GEOS-5) General Circulation Model (GCM) makes use of the Earth System Modeling Framework (ESMF) to enable model configurations with many functions. One of the options of the GEOS-5 GCM is the GEOS-5 Chemistry Transport Model (GEOS-5 CTM), which is an offline simulation of chemistry and constituent transport driven by a specified meteorology and other model output fields. This document describes the basic components of the GEOS-5 CTM, and is a user's guide on to how to obtain and run simulations on the NCCS Discover platform. In addition, we provide information on how to change the model configuration input files to meet users' needs.

  10. Using travel times to simulate multi-dimensional bioreactive transport in time-periodic flows.

    PubMed

    Sanz-Prat, Alicia; Lu, Chuanhe; Finkel, Michael; Cirpka, Olaf A

    2016-04-01

    In travel-time models, the spatially explicit description of reactive transport is replaced by associating reactive-species concentrations with the travel time or groundwater age at all locations. These models have been shown adequate for reactive transport in river-bank filtration under steady-state flow conditions. Dynamic hydrological conditions, however, can lead to fluctuations of infiltration velocities, putting the validity of travel-time models into question. In transient flow, the local travel-time distributions change with time. We show that a modified version of travel-time based reactive transport models is valid if only the magnitude of the velocity fluctuates, whereas its spatial orientation remains constant. We simulate nonlinear, one-dimensional, bioreactive transport involving oxygen, nitrate, dissolved organic carbon, aerobic and denitrifying bacteria, considering periodic fluctuations of velocity. These fluctuations make the bioreactive system pulsate: The aerobic zone decreases at times of low velocity and increases at those of high velocity. For the case of diurnal fluctuations, the biomass concentrations cannot follow the hydrological fluctuations and a transition zone containing both aerobic and obligatory denitrifying bacteria is established, whereas a clear separation of the two types of bacteria prevails in the case of seasonal velocity fluctuations. We map the 1-D results to a heterogeneous, two-dimensional domain by means of the mean groundwater age for steady-state flow in both domains. The mapped results are compared to simulation results of spatially explicit, two-dimensional, advective-dispersive-bioreactive transport subject to the same relative fluctuations of velocity as in the one-dimensional model. The agreement between the mapped 1-D and the explicit 2-D results is excellent. We conclude that travel-time models of nonlinear bioreactive transport are adequate in systems of time-periodic flow if the flow direction does not change.

  11. Using travel times to simulate multi-dimensional bioreactive transport in time-periodic flows

    NASA Astrophysics Data System (ADS)

    Sanz-Prat, Alicia; Lu, Chuanhe; Finkel, Michael; Cirpka, Olaf A.

    2016-04-01

    In travel-time models, the spatially explicit description of reactive transport is replaced by associating reactive-species concentrations with the travel time or groundwater age at all locations. These models have been shown adequate for reactive transport in river-bank filtration under steady-state flow conditions. Dynamic hydrological conditions, however, can lead to fluctuations of infiltration velocities, putting the validity of travel-time models into question. In transient flow, the local travel-time distributions change with time. We show that a modified version of travel-time based reactive transport models is valid if only the magnitude of the velocity fluctuates, whereas its spatial orientation remains constant. We simulate nonlinear, one-dimensional, bioreactive transport involving oxygen, nitrate, dissolved organic carbon, aerobic and denitrifying bacteria, considering periodic fluctuations of velocity. These fluctuations make the bioreactive system pulsate: The aerobic zone decreases at times of low velocity and increases at those of high velocity. For the case of diurnal fluctuations, the biomass concentrations cannot follow the hydrological fluctuations and a transition zone containing both aerobic and obligatory denitrifying bacteria is established, whereas a clear separation of the two types of bacteria prevails in the case of seasonal velocity fluctuations. We map the 1-D results to a heterogeneous, two-dimensional domain by means of the mean groundwater age for steady-state flow in both domains. The mapped results are compared to simulation results of spatially explicit, two-dimensional, advective-dispersive-bioreactive transport subject to the same relative fluctuations of velocity as in the one-dimensional model. The agreement between the mapped 1-D and the explicit 2-D results is excellent. We conclude that travel-time models of nonlinear bioreactive transport are adequate in systems of time-periodic flow if the flow direction does not change.

  12. [Model of active peristaltic transport in biosystems].

    PubMed

    Klochkov, B N; Romanov, A S

    2013-01-01

    A nonlinear distributed mathematical model of soft vessel with the nonmonotonous static characteristic is proposed and considered. The model describes space-time dynamics of vessel clearance change. Wave phenomena in vessels of different nature and the possibility of peristaltic fluid pumping are discussed and analyzed. The model is rather common in character and represents a description of the whole class of transport phenomena. Lymphatic vessels are particularly considered.

  13. 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.

  14. Climate Impact of Transportation A Model Comparison

    SciTech Connect

    Girod, Bastien; Van Vuuren, Detlef; Grahn, Maria; Kitous, Alban; Kim, Son H.; Kyle, G. Page

    2013-06-01

    Transportation contributes to a significant and rising share of global energy use and GHG emissions. Therefore modeling future travel demand, its fuel use, and resulting CO2 emission is highly relevant for climate change mitigation. In this study we compare the baseline projections for global service demand (passenger-kilometers, ton-kilometers), fuel use, and CO2 emissions of five different global transport models using harmonized input assumptions on income and population. For four models we also evaluate the impact of a carbon tax. All models project a steep increase in service demand over the century. Technology is important for limiting energy consumption and CO2 emissions, but quite radical changes in the technology mix are required to stabilize or reverse the trend. While all models project liquid fossil fuels dominating up to 2050, they differ regarding the use of alternative fuels (natural gas, hydrogen, biofuels, and electricity), because of different fuel price projections. The carbon tax of US$200/tCO2 in 2050 stabilizes or reverses global emission growth in all models. Besides common findings many differences in the model assumptions and projections indicate room for improvement in modeling and empirical description of the transport system.

  15. Lattice Boltzmann modeling of phonon transport

    NASA Astrophysics Data System (ADS)

    Guo, Yangyu; Wang, Moran

    2016-06-01

    A novel lattice Boltzmann scheme is proposed for phonon transport based on the phonon Boltzmann equation. Through the Chapman-Enskog expansion, the phonon lattice Boltzmann equation under the gray relaxation time approximation recovers the classical Fourier's law in the diffusive limit. The numerical parameters in the lattice Boltzmann model are therefore rigorously correlated to the bulk material properties. The new scheme does not only eliminate the fictitious phonon speed in the diagonal direction of a square lattice system in the previous lattice Boltzmann models, but also displays very robust performances in predicting both temperature and heat flux distributions consistent with analytical solutions for diverse numerical cases, including steady-state and transient, macroscale and microscale, one-dimensional and multi-dimensional phonon heat transport. This method may provide a powerful numerical tool for deep studies of nonlinear and nonlocal heat transports in nanosystems.

  16. Contamination transport modeling with CTSP (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Brieda, Lubos

    2016-09-01

    CTSP (Contamination Transport Simulation Program) is a simulation program for performing detailed molecular and particulate contaminant transport analyses using complex, CAD-generated geometries. CTSP concurrently traces many simulation macroparticles, allowing it to compute contaminant partial pressures. The code uses a detailed surface model that supports multiple trapped gases and a multi-component surface layer. The molecular residence time is computed by considering surface temperature and activation energies. This paper describes the implemented algorithms and demonstrates the code with several test cases. These include outgassing in a vacuum chamber, spacecraft venting, particulate transport in an air flow, and redistribution of paint flakes on an orbiting satellite. The paper is concluded by summarizing the on-going effort to parallelize the code and utilize GPUs, and to add support for electrostatic return modeling by computing space potential using Green's functions.

  17. SITE-SCALE SATURATED ZONE TRANSPORT

    SciTech Connect

    S. KELLER

    2004-11-03

    This work provides a site-scale transport model for calculating radionuclide transport in the saturated zone (SZ) at Yucca Mountain, for use in the abstractions model in support of ''Total System Performance Assessment for License Application'' (TSPA-LA). The purpose of this model report is to provide documentation for the components of the site-scale SZ transport model in accordance with administrative procedure AP-SIII.10Q, Models. The initial documentation of this model report was conducted under the ''Technical Work Plan For: Saturated Zone Flow and Transport Modeling and Testing'' (BSC 2003 [DIRS 163965]). The model report has been revised in accordance with the ''Technical Work Plan For: Natural System--Saturated Zone Analysis and Model Report Integration'', Section 2.1.1.4 (BSC 2004 [DIRS 171421]) to incorporate Regulatory Integration Team comments. All activities listed in the technical work plan that are appropriate to the transport model are documented in this report and are described in Section 2.1.1.4 (BSC 2004 [DIRS 171421]). This report documents: (1) the advection-dispersion transport model including matrix diffusion (Sections 6.3 and 6.4); (2) a description and validation of the transport model (Sections 6.3 and 7); (3) the numerical methods for simulating radionuclide transport (Section 6.4); (4) the parameters (sorption coefficient, Kd ) and their uncertainty distributions used for modeling radionuclide sorption (Appendices A and C); (5) the parameters used for modeling colloid-facilitated radionuclide transport (Table 4-1, Section 6.4.2.6, and Appendix B); and (6) alternative conceptual models and their dispositions (Section 6.6). The intended use of this model is to simulate transport in saturated fractured porous rock (double porosity) and alluvium. The particle-tracking method of simulating radionuclide transport is incorporated in the finite-volume heat and mass transfer numerical analysis (FEHM) computer code, (FEHM V2.20, STN: 10086

  18. Modeling Facilitated Contaminant Transport by Mobile Bacteria

    NASA Astrophysics Data System (ADS)

    Corapcioglu, M. Yavuz; Kim, Seunghyun

    1995-01-01

    Introduction of exogenous biocolloids such as genetically engineered bacteria in a bioremediation operation can enhance the transport of contaminants in groundwater by reducing the retardation effects. Because of their colloidal size and favorable surface conditions, bacteria are efficient contaminant carriers. In cases where contaminants have a low mobility in porous media because of their high partition with solid matrix, facilitated contaminant transport by mobile bacteria can create high contaminant fluxes. When metabolically active mobile bacteria are present in a subsurface environment, the system can be treated as consisting of three phases: water phase, bacterial phase, and stationary solid matrix phase. In this work a mathematical model based on mass balance equations is developed to describe the facilitated transport and fate of a contaminant and bacteria in a porous medium. Bacterial partition between the bulk solution and the stationary solid matrix and contaminant partition among three phases are represented by expressions in terms of measurable quantities. Solutions were obtained to provide estimates of contaminant and bacterial concentrations. A dimensional analysis of the transport model was utilized to estimate model parameters from the experimental data and to assess the effect of several parameters on model behavior. The model results matched favorably with experimental data of Jenkins and Lion (1993). The presence of mobile bacteria enhances the contaminant transport. However, bacterial consumption of the contaminant, which serves as a bacterial nutrient, can attenuate the contaminant mobility. The work presented in this paper is the first three-phase model to include the effects of substrate metabolism on the fate of groundwater contaminants.

  19. Glucose Transport Machinery Reconstituted in Cell Models

    PubMed Central

    Hansen, Jesper S.; Elbing, Karin; Thompson, James R.; Malmstadt, Noah

    2015-01-01

    Here we demonstrate the production of a functioning cell model by formation of giant vesicles reconstituted with the GLUT1 glucose transporter and a glucose oxidase and hydrogen peroxidase linked fluorescent reporter internally. Hence, a simplified artificial cell is formed that is able to take up glucose and process it. PMID:25562394

  20. Glucose transport machinery reconstituted in cell models.

    PubMed

    Hansen, Jesper S; Elbing, Karin; Thompson, James R; Malmstadt, Noah; Lindkvist-Petersson, Karin

    2015-02-11

    Here we demonstrate the production of a functioning cell model by formation of giant vesicles reconstituted with the GLUT1 glucose transporter and a glucose oxidase and hydrogen peroxidase linked fluorescent reporter internally. Hence, a simplified artificial cell is formed that is able to take up glucose and process it.

  1. A hydro-sedimentary modelling system for flash flood propagation and hazard estimation under different agricultural practices

    NASA Astrophysics Data System (ADS)

    Kourgialas, N. N.; Karatzas, G. P.

    2013-10-01

    A modelling system for the estimation of flash flood flow characteristics and sediment transport is developed in this study. The system comprises of three components: (a) a modelling framework based on the hydrological model HSPF, (b) the hydrodynamic module of the hydraulic model MIKE 11 (quasi-2-D), and (c) the advection-dispersion module of MIKE 11 as a sediment transport model. An important parameter in hydraulic modelling is the Manning's coefficient, an indicator of the channel resistance which is directly depended on riparian vegetation changes. Riparian vegetation effect on flood propagation parameters such as water depth (inundation), discharge, flow velocity, and sediment transport load is investigated in this study. Based on the obtained results, when the weed cutting percentage is increased, the flood wave depth decreases while flow discharge, velocity and sediment transport load increase. The proposed modelling system is used to evaluate and illustrate the flood hazard for different cutting riparian vegetation scenarios. For the estimation of flood hazard, a combination of the flood propagation characteristics of water depth, flow velocity and sediment load was used. Next, an optimal selection of the most appropriate agricultural cutting practices of riparian vegetation was performed. Ultimately, the model results obtained for different agricultural cutting practice scenarios can be employed to create flood protection measures for flood prone areas. The proposed methodology was applied to the downstream part of a small mediterranean river basin in Crete, Greece.

  2. A hydro-sedimentary modeling system for flash flood propagation and hazard estimation under different agricultural practices

    NASA Astrophysics Data System (ADS)

    Kourgialas, N. N.; Karatzas, G. P.

    2014-03-01

    A modeling system for the estimation of flash flood flow velocity and sediment transport is developed in this study. The system comprises three components: (a) a modeling framework based on the hydrological model HSPF, (b) the hydrodynamic module of the hydraulic model MIKE 11 (quasi-2-D), and (c) the advection-dispersion module of MIKE 11 as a sediment transport model. An important parameter in hydraulic modeling is the Manning's coefficient, an indicator of the channel resistance which is directly dependent on riparian vegetation changes. Riparian vegetation's effect on flood propagation parameters such as water depth (inundation), discharge, flow velocity, and sediment transport load is investigated in this study. Based on the obtained results, when the weed-cutting percentage is increased, the flood wave depth decreases while flow discharge, velocity and sediment transport load increase. The proposed modeling system is used to evaluate and illustrate the flood hazard for different riparian vegetation cutting scenarios. For the estimation of flood hazard, a combination of the flood propagation characteristics of water depth, flow velocity and sediment load was used. Next, a well-balanced selection of the most appropriate agricultural cutting practices of riparian vegetation was performed. Ultimately, the model results obtained for different agricultural cutting practice scenarios can be employed to create flood protection measures for flood-prone areas. The proposed methodology was applied to the downstream part of a small Mediterranean river basin in Crete, Greece.

  3. Stochastic models for convective momentum transport.

    PubMed

    Majda, Andrew J; Stechmann, Samuel N

    2008-11-18

    The improved parameterization of unresolved features of tropical convection is a central challenge in current computer models for long-range ensemble forecasting of weather and short-term climate change. Observations, theory, and detailed smaller-scale numerical simulations suggest that convective momentum transport (CMT) from the unresolved scales to the resolved scales is one of the major deficiencies in contemporary computer models. Here, a combination of mathematical and physical reasoning is utilized to build simple stochastic models that capture the significant intermittent upscale transports of CMT on the large scales due to organized unresolved convection from squall lines. Properties of the stochastic model for CMT are developed below in a test column model environment for the large-scale variables. The effects of CMT from the stochastic model on a large-scale convectively coupled wave in an idealized setting are presented below as a nontrivial test problem. Here, the upscale transports from stochastic effects are significant and even generate a large-scale mean flow which can interact with the convectively coupled wave.

  4. Modeling electronic quantum transport with machine learning

    NASA Astrophysics Data System (ADS)

    Lopez-Bezanilla, Alejandro; von Lilienfeld, O. Anatole

    2014-06-01

    We present a machine learning approach to solve electronic quantum transport equations of one-dimensional nanostructures. The transmission coefficients of disordered systems were computed to provide training and test data sets to the machine. The system's representation encodes energetic as well as geometrical information to characterize similarities between disordered configurations, while the Euclidean norm is used as a measure of similarity. Errors for out-of-sample predictions systematically decrease with training set size, enabling the accurate and fast prediction of new transmission coefficients. The remarkable performance of our model to capture the complexity of interference phenomena lends further support to its viability in dealing with transport problems of undulatory nature.

  5. GWSCREEN: A semi-analytical model for assessment of the groundwater pathway from surface or buried contamination: Version 2.0 theory and user`s manual

    SciTech Connect

    Rood, A.S.

    1993-06-01

    GWSCREEN was developed for assessment of the groundwater pathway from leaching of radioactive and non radioactive substances from surface or buried sources. The code was designed for implementation in the Track I and Track II assessment of CERCLA (Comprehensive Environmental Response, Compensation and Liability Act) sites identified as low probability hazard at the Idaho National Engineering Laboratory (DOE, 1992). The code calculates the limiting soil concentration such that, after leaching and transport to the aquifer, regulatory contaminant levels in groundwater are not exceeded. The code uses a mass conservation approach to model three processes: contaminant release from a source volume, contaminant transport in the unsaturated zone, and contaminant transport in the saturated zone. The source model considers the sorptive properties and solubility of the contaminant. Transport in the unsaturated zone is described by a plug flow model. Transport in the saturated zone is calculated with a semi-analytical solution to the advection dispersion equation in groundwater. In Version 2.0, GWSCREEN has incorporated an additional source model to calculate the impacts to groundwater resulting from the release to percolation ponds. In addition, transport of radioactive progeny has also been incorporated. GWSCREEN has shown comparable results when compared against other codes using similar algorithms and techniques. This code was designed for assessment and screening of the groundwater pathway when field data is limited. It was not intended to be a predictive tool.

  6. ACE-Asia Chemical Transport Modeling Overview

    NASA Astrophysics Data System (ADS)

    UNO, I.; Chin, M.; Collins, W.; Ginoux, P.; Rasch, P.; Carmichael, G. R.; Yienger, J. J.

    2001-12-01

    ACE-Asia (Asia Pacific Regional Aerosol Characterization Experiment) was designed to increase our understanding of how atmospheric aerosol particles affect the Earth?s climate system. The intensive observation period was carried out during March to May, 2001, and more than 100 researchers from several countries (United States, Japan, Korea, China, and many other Asian countries) participated using aircraft, a research vessel, surface stations and numerical models. Aerosol transport forecast activities played an important role during the ACE-Asia intensive observation period. Three independent modeling groups operated chemical transport models in forecast mode and participated in flight planning activities at the operations center. These models were: MATCH (Model of Atmospheric Transport and Chemistry; Rasch and Collins); GOCART (Georgia Tech/Goddard Global Ozone Chemistry Aerosol Radiation and Transport model; Chin and Ginour) and CFORS (Research Institute for Applied Mechanics, Kyushu University + University of Iowa - Chemical weather FORecast System; Uno, Carmichael and Yienger). The MATCH model used in ACE-Asia was a transport model applied for the Asia region, driven by NCEP forecast meteorology. A unique feature of this model was that it assimilated satellite derived optical depths into its forecast algorithm. The GOCART model provided global aerosol forecast using forecast meteorological fields provided by the Goddard Earth Observing System Data Assimilation System (GEOS DAS). The CFORS model provided regional forecasts using a limited area transport model coupled with Regional Meteorological Modeling System (RAMS), initialized by NCEP and JMA forecasts. All models produced 3-d aerosol forecast products consisting of aerosol mass distributions and optical depths for sulfate, black carbon, organic carbon, sea salt, and dust. In the field these model products were made available to all participating scientists via the Web, and were also presented during the

  7. Transport processes and mutual interactions of three bacterial strains in saturated porous media

    NASA Astrophysics Data System (ADS)

    Stumpp, Christine; Lawrence, John R.; Hendry, M. Jim; Maloszewski, Pitor

    2010-05-01

    Transport processes of the bacterial strains Klebsiella oxytoca, Burkholderia cepacia G4PR-1 and Pseudomonas sp #5 were investigated in saturated column experiments to study the differences in transport characteristics and the mutual interactions of these strains during transport. Soil column experiments (114 mm long x 33 mm in diameter) were conducted with constant water velocities (3.9-5.7 cm/h) through a medium to coarse grained silica sand. All experiments were performed in freshly packed columns in quadruplicate. Chloride was used as tracer to determine the mean transit time, dispersivity and flow rate. It was injected as a pulse into the columns together with the bacterial strains suspended in artificial groundwater medium. In the first setup, each strain was investigated alone. In the second setup, transport processes were performed injecting two strains simultaneously. Finally, the transport characteristics were studied in successive experiments when one bacterium was resident on the sand grains prior to the introduction of the second strain. In all experiments the peak C/Co bacterial concentrations were attenuated with respect to the conservative tracer chloride and a well defined tailing was observed. A one dimensional mathematical model for advective-dispersive transport that accounts for irreversible and reversible sorption was used to analyze the bacterial breakthrough curves and tailing patterns. It was shown that the sorption parameters were different for the three strains that can be explained by the properties of the bacteria. For the species Klebsiella oxytoca and Burkholderia cepacia G4PR-the transport parameters were mostly in the same range independent of the experimental setup. However, Pseudomonas sp #5, which is a motile bacterium, showed differences in the breakthrough curves and sorption parameters during the experiments. The simultaneous and successive experiments indicated an influence on the reversible sorption processes when another

  8. A model of axonal transport drug delivery

    NASA Astrophysics Data System (ADS)

    Kuznetsov, Andrey V.

    2012-04-01

    In this paper a model of targeted drug delivery by means of active (motor-driven) axonal transport is developed. The model is motivated by recent experimental research by Filler et al. (A.G. Filler, G.T. Whiteside, M. Bacon, M. Frederickson, F.A. Howe, M.D. Rabinowitz, A.J. Sokoloff, T.W. Deacon, C. Abell, R. Munglani, J.R. Griffiths, B.A. Bell, A.M.L. Lever, Tri-partite complex for axonal transport drug delivery achieves pharmacological effect, Bmc Neuroscience 11 (2010) 8) that reported synthesis and pharmacological efficiency tests of a tri-partite complex designed for axonal transport drug delivery. The developed model accounts for two populations of pharmaceutical agent complexes (PACs): PACs that are transported retrogradely by dynein motors and PACs that are accumulated in the axon at the Nodes of Ranvier. The transitions between these two populations of PACs are described by first-order reactions. An analytical solution of the coupled system of transient equations describing conservations of these two populations of PACs is obtained by using Laplace transform. Numerical results for various combinations of parameter values are presented and their physical significance is discussed.

  9. Delft Mass Transport model DMT-2

    NASA Astrophysics Data System (ADS)

    Ditmar, Pavel; Hashemi Farahani, Hassan; Inacio, Pedro; Klees, Roland; Zhao, Qile; Guo, Jing; Liu, Xianglin; Sun, Yu; Riva, Ricardo; Ran, Jiangjun

    2013-04-01

    Gravity Recovery And Climate Experiment (GRACE) satellite mission has enormously extended our knowledge of the Earth's system by allowing natural mass transport of various origin to be quantified. This concerns, in particular, the depletion and replenishment of continental water stocks; shrinking of polar ice sheets; deformation of the Earth's crust triggered by large earthquakes, and isostatic adjustment processes. A number of research centers compute models of temporal gravity field variations and mass transport, using GRACE data as input. One of such models - Delft Mass Transport model - is being produced at the Delft University of Technology in collaboration with the GNSS Research Center of Wuhan University. A new release of this model, DMT-2, has been produced on the basis of a new (second) release of GRACE level-1b data. This model consists of a time-series of monthly solutions spanning a time interval of more than 8 years, starting from Feb. 2003. Each solution consists of spherical harmonic coefficients up to degree 120. Both unconstrained and optimally filtered solutions are obtained. The most essential improvements of the DMT-2 model, as compared to its predecessors (DMT-1 and DMT-1b), are as follows: (i) improved estimation and elimination of low-frequency noise in GRACE data, so that strong mass transport signals are not damped; (ii) computation of accurate stochastic models of data noise for each month individually with a subsequent application of frequency-dependent data weighting, which allows statistically optimal solutions to be compiled even if data noise is colored and gradually changes in time; (iii) optimized estimation of accelerometer calibration parameters; (iv) incorporation of degree 1 coefficients estimated with independent techniques; (v) usage of state-of-the-art background models to de-alias GRACE data from rapid mass transport signals (this includes the EOT11a model of ocean tides and the latest release of the AOD1B product describing

  10. Correlation Between Heterogeneous Bacterial Attachment Rate Coefficients and Hydraulic Conductivity and Impacts on Field-Scale Bacterial Transport

    SciTech Connect

    Scheibe, Timothy D.

    2002-10-28

    In granular porous media, bacterial transport is often modeled using the advection-dispersion transport equation, modified to account for interactions between the bacteria and grain surfaces (attachment and detachment) using a linear kinetic reaction model. In this paper we examine the relationships among the parameters of the above model in the context of bacterial transport for bioaugmentation. In this context, we wish to quantify the distance to which significant concentrations of bacteria can be transported, as well as the uniformity with which they can be distributed within the subsurface. Because kinetic detachment rates (Kr) are typically much smaller than corresponding attachment rates (Kf), the attachment rate exerts primary control on the distance of bacterial transport. Hydraulic conductivity (K) also plays a significant role because of its direct relationship to the advective velocity and its typically high degree of spatial variability at field scales. Because Kf is related to the velocity, grain size, and porosity of the medium, as is K, we expect that there exists correlation between these two parameters. Previous investigators have assumed a form of correlation between Kf and ln(K) based in part on reparameterization of clean-bed filtration equations in terms of published relations between grain size, effective porosity, and ln(K). The hypotheses examined here are that (1) field-scale relationships between K and Kf can be developed by combining a number of theoretical and empirical results in the context of a heterogeneous aquifer flow model (following a similar approach to previous investigators with some extensions), and (2) correlation between K and Kf will enhance the distance of field-scale bacterial transport in granular aquifers. We test these hypotheses using detailed numerical models and observations of field-scale bacterial transport in a shallow sandy aquifer within the South Oyster Site near Oyster, Virginia, USA.

  11. Symposium on unsaturated flow and transport modeling

    SciTech Connect

    Arnold, E.M.; Gee, G.W.; Nelson, R.W.

    1982-09-01

    This document records the proceedings of a symposium on flow and transport processes in partially saturated groundwater systems, conducted at the Battelle Seattle Research Center on March 22-24, 1982. The symposium was sponsored by the US Nuclear Regulatory Commission for the purpose of assessing the state-of-the-art of flow and transport modeling for use in licensing low-level nuclear waste repositories in partially saturated zones. The first day of the symposium centered around research in flow through partially saturated systems. Papers were presented with the opportunity for questions following each presentation. In addition, after all the talks, a formal panel discussion was held during which written questions were addressed to the panel of the days speakers. The second day of the Symposium was devoted to solute and contaminant transport in partially saturated media in an identical format. Individual papers are abstracted.

  12. Molecular modeling of auxin transport inhibitors

    SciTech Connect

    Gardner, G.; Black-Schaefer, C.; Bures, M.G. )

    1990-05-01

    Molecular modeling techniques have been used to study the chemical and steric properties of auxin transport inhibitors. These bind to a specific site on the plant plasma membrane characterized by its affinity for N-1-naphthylphthalamic acid (NPA). A three-dimensional model was derived from critical features of ligands for the NPA receptor, and a suggested binding conformation is proposed. This model, along with three-dimensional structural searching techniques, was then used to search the Abbott corporate database of chemical structures. Of the 467 compounds that satisfied the search criteria, 77 representative molecules were evaluated for their ability to compete for ({sup 3}H)NPA binding to corn microsomal membranes. Nineteen showed activity that ranged from 16 to 85% of the maximum NPA binding. Four of the most active of these, from chemical classes not included in the original compound set, also inhibited polar auxin transport through corn coleoptile sections.

  13. A Radiative Transport Model for Blazars

    NASA Astrophysics Data System (ADS)

    Lewis, Tiffany; Justin, Finke; Becker, Peter A.

    2017-01-01

    Blazars are observed across the electromagnetic spectrum, often with strong variability throughout. The underlying electron distribution associated with the observed emission is typically not computed from first principles. We start from first-principles to build up a transport model, whose solution is the electron distribution, rather than assuming a convenient functional form. Our analytical transport model considers shock acceleration, adiabatic expansion, stochastic acceleration, Bohm diffusion, and synchrotron radiation. We use this solution to generate predictions for the X-ray spectrum and time lags, and compare the results with data products from BeppoSAX observations of X-ray flares from Mrk 421. This new self-consistent model provides an unprecedented view into the jet physics at play in this source, especially the strength of the shock and stochastic acceleration components and the size of the acceleration region.More recently, we augmented the transport model to incorporate Compton scattering, including Klein-Nishina effects. In this case, an analytical solution cannot be derived, and therefore we obtain the steady-state electron distribution computationally. We compare the resulting radiation spectrum with multi-wavelength data for 3C 279. We show that our new Compton + synchrotron blazar model is the first to successfully fit the FermiLAT gamma-ray data for this source based on a first-principles physical calculation.

  14. A Radiative Transport Model for Blazars

    NASA Astrophysics Data System (ADS)

    Lewis, Tiffany; Finke, Justin; Becker, Peter

    2017-01-01

    Blazars are observed across the electromagnetic spectrum, often with strong variability throughout. We start from first-principles to build up a transport model, whose solution is the electron distribution, rather than assuming a convenient functional form. Our analytical transport model considers shock acceleration, adiabatic expansion, stochastic acceleration, Bohm diffusion, and synchrotron radiation. We use this solution to give predictions for the X-ray spectrum and time lags, comparing the results with BeppoSAX observations of X-ray flares from Mrk 421. This new self-consistent model provides an unprecedented view into the jet physics at play in this source, especially the strength of the shock and stochastic acceleration components and the size of the acceleration region. More recently, we augmented the transport model to incorporate Compton scattering, including Klein-Nishina effects. Here, an analytical solution cannot be derived. Therefore we obtain the steady-state electron distribution computationally. We compare the resulting radiation spectrum with multi-wavelength data for 3C 279. We show that our new Compton + synchrotron blazar model is the first to successfully fit the FermiLAT gamma-ray data for this source based on a first-principles physical calculation.

  15. 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.

  16. Numerical modelling of ion transport in flames

    NASA Astrophysics Data System (ADS)

    Han, Jie; Belhi, Memdouh; Bisetti, Fabrizio; Mani Sarathy, S.

    2015-11-01

    This paper presents a modelling framework to compute the diffusivity and mobility of ions in flames. The (n, 6, 4) interaction potential is adopted to model collisions between neutral and charged species. All required parameters in the potential are related to the polarizability of the species pair via semi-empirical formulas, which are derived using the most recently published data or best estimates. The resulting framework permits computation of the transport coefficients of any ion found in a hydrocarbon flame. The accuracy of the proposed method is evaluated by comparing its predictions with experimental data on the mobility of selected ions in single-component neutral gases. Based on this analysis, the value of a model constant available in the literature is modified in order to improve the model's predictions. The newly determined ion transport coefficients are used as part of a previously developed numerical approach to compute the distribution of charged species in a freely propagating premixed lean CH4/O2 flame. Since a significant scatter of polarizability data exists in the literature, the effects of changes in polarizability on ion transport properties and the spatial distribution of ions in flames are explored. Our analysis shows that changes in polarizability propagate with decreasing effect from binary transport coefficients to species number densities. We conclude that the chosen polarizability value has a limited effect on the ion distribution in freely propagating flames. We expect that the modelling framework proposed here will benefit future efforts in modelling the effect of external voltages on flames. Supplemental data for this article can be accessed at http://dx.doi.org/10.1080/13647830.2015.1090018.

  17. Mesoscopic Modeling of Reactive Transport Processes

    NASA Astrophysics Data System (ADS)

    Kang, Q.; Chen, L.; Deng, H.

    2012-12-01

    Reactive transport processes involving precipitation and/or dissolution are pervasive in geochemical, biological and engineered systems. Typical examples include self-assembled patterns such as Liesegang rings or bands, cones of stalactites in limestones caves, biofilm growth in aqueous environment, formation of mineral deposits in boilers and heat exchangers, uptake of toxic metal ions from polluted water by calcium carbonate, and mineral trapping of CO2. Compared to experimental studies, a numerical approach enables a systematic study of the reaction kinetics, mass transport, and mechanisms of nucleation and crystal growth, and hence provides a detailed description of reactive transport processes. In this study, we enhance a previously developed lattice Boltzmann pore-scale model by taking into account the nucleation process, and develop a mesoscopic approach to simulate reactive transport processes involving precipitation and/or dissolution of solid phases. The model is then used to simulate the formation of Liesegang precipitation patterns and investigate the effects of gel on the morphology of the precipitates. It is shown that this model can capture the porous structures of the precipitates and can account for the effects of the gel concentration and material. A wide range of precipitation patterns is predicted under different gel concentrations, including regular bands, treelike patterns, and for the first time with numerical models, transition patterns from regular bands to treelike patterns. The model is also applied to study the effect of secondary precipitate on the dissolution of primary mineral. Several types of dissolution and precipitation processes are identified based on the morphology and structures of the precipitates and on the extent to which the precipitates affect the dissolution of the primary mineral. Finally the model is applied to study the formation of pseudomorph. It is demonstrated for the first time by numerical simulation that a

  18. Modeling multispecies reactive transport in ground water

    SciTech Connect

    Clement, T.P.; Sun, Y.; Hooker, B.S.; Petersen, J.N.

    1998-12-31

    In this paper, the details of RT3D, a general purpose, multispecies, reactive transport code, are presented. The code uses MODFLOW to simulate flow and several MT3D sub-programs to simulate advection and dispersion. A set of reaction modules were developed and incorporated into RT3D to simulate various types of multispecies reactive transport. This new computer model can be used for analyzing different types of subsurface contaminant reactions, microbial metabolisms, and microbial transport kinetics. Details of the model and numerical solution procedure are presented. The numerical formulation of the code is general enough to allow description of any type of reaction with any number of mobile/immobile species. Several example problems are presented to test the performance of the code, and to illustrate its features. The presented numerical model is shown to be a useful tool for analyzing different types of subsurface bioremediation systems. Prediction based on this model can be used for screening remediation alternatives including natural attenuation and/or for forecasting contaminant exposure levels and environmental risks at sensitive, downgradient receptors.

  19. Turbulent transport models for scramjet flowfields

    NASA Technical Reports Server (NTRS)

    Sindir, M. M.; Harsha, P. T.

    1984-01-01

    Turbulence modeling approaches were examined from the standpoint of their capability to predict the complex flowfield features observed in scramjet combustions. Thus, for example, the accuracy of each turbulence model, with respect to the prediction of recirculating flows, was examined. It was observed that for large diameter ratio axisymmetric sudden expansion flows, a choice of turbulence model was not critical because of the domination of their flowfields by pressure forces. For low diameter ratio axisymmetric sudden expansions and planar backward-facing steps flows, where turbulent shear stresses are of greater significance, the algebraic Reynolds stress approach, modified to increase its sensitivity to streamline curvature, was found to provide the best results. Results of the study also showed that strongly swirling flows provide a stringent test of turbulence model assumptions. Thus, although flows with very high swirl are not of great practical interest, they are useful for turbulence model development. Finally, it was also noted that numerical flowfields solution techniques have a strong interrelation with turbulence models, particularly with the turbulent transport models which involve source-dominated transport equations.

  20. Variational multiscale models for charge transport

    PubMed Central

    Wei, Guo-Wei; Zheng, Qiong; Chen, Zhan; Xia, Kelin

    2012-01-01

    This work presents a few variational multiscale models for charge transport in complex physical, chemical and biological systems and engineering devices, such as fuel cells, solar cells, battery cells, nanofluidics, transistors and ion channels. An essential ingredient of the present models, introduced in an earlier paper (Bulletin of Mathematical Biology, 72, 1562-1622, 2010), is the use of differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain from the microscopic domain, meanwhile, dynamically couple discrete and continuum descriptions. Our main strategy is to construct the total energy functional of a charge transport system to encompass the polar and nonpolar free energies of solvation, and chemical potential related energy. By using the Euler-Lagrange variation, coupled Laplace-Beltrami and Poisson-Nernst-Planck (LB-PNP) equations are derived. The solution of the LB-PNP equations leads to the minimization of the total free energy, and explicit profiles of electrostatic potential and densities of charge species. To further reduce the computational complexity, the Boltzmann distribution obtained from the Poisson-Boltzmann (PB) equation is utilized to represent the densities of certain charge species so as to avoid the computationally expensive solution of some Nernst-Planck (NP) equations. Consequently, the coupled Laplace-Beltrami and Poisson-Boltzmann-Nernst-Planck (LB-PBNP) equations are proposed for charge transport in heterogeneous systems. A major emphasis of the present formulation is the consistency between equilibrium LB-PB theory and non-equilibrium LB-PNP theory at equilibrium. Another major emphasis is the capability of the reduced LB-PBNP model to fully recover the prediction of the LB-PNP model at non-equilibrium settings. To account for the fluid impact on the charge transport, we derive coupled Laplace-Beltrami, Poisson-Nernst-Planck and Navier-Stokes equations from the variational principle

  1. 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

  2. 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.

  3. Modelling sediment clasts transport during landscape evolution

    NASA Astrophysics Data System (ADS)

    Carretier, Sébastien; Martinod, Pierre; Reich, Martin; Godderis, Yves

    2016-03-01

    Over thousands to millions of years, the landscape evolution is predicted by models based on fluxes of eroded, transported and deposited material. The laws describing these fluxes, corresponding to averages over many years, are difficult to prove with the available data. On the other hand, sediment dynamics are often tackled by studying the distribution of certain grain properties in the field (e.g. heavy metals, detrital zircons, 10Be in gravel, magnetic tracers). There is a gap between landscape evolution models based on fluxes and these field data on individual clasts, which prevent the latter from being used to calibrate the former. Here we propose an algorithm coupling the landscape evolution with mobile clasts. Our landscape evolution model predicts local erosion, deposition and transfer fluxes resulting from hillslope and river processes. Clasts of any size are initially spread in the basement and are detached, moved and deposited according to probabilities using these fluxes. Several river and hillslope laws are studied. Although the resulting mean transport rate of the clasts does not depend on the time step or the model cell size, our approach is limited by the fact that their scattering rate is cell-size-dependent. Nevertheless, both their mean transport rate and the shape of the scattering-time curves fit the predictions. Different erosion-transport laws generate different clast movements. These differences show that studying the tracers in the field may provide a way to establish these laws on the hillslopes and in the rivers. Possible applications include the interpretation of cosmogenic nuclides in individual gravel deposits, provenance analyses, placers, sediment coarsening or fining, the relationship between magnetic tracers in rivers and the river planform, and the tracing of weathered sediment.

  4. Estimation of Unsaturated Zone Traveltimes for Rainier Mesa and Shoshone Mountain, Nevada Test Site, Nevada, Using a Source-Responsive Preferential-Flow Model

    USGS Publications Warehouse

    Ebel, Brian A.; Nimmo, John R.

    2009-01-01

    Traveltimes for contaminant transport by water from a point in the unsaturated zone to the saturated zone are a concern at Rainier Mesa and Shoshone Mountain in the Nevada Test Site, Nevada. Where nuclear tests were conducted in the unsaturated zone, contaminants must traverse hundreds of meters of variably saturated rock before they enter the saturated zone in the carbonate rock, where the regional groundwater system has the potential to carry them substantial distances to a location of concern. The unsaturated-zone portion of the contaminant transport path may cause a significant delay, in addition to the time required to travel within the saturated zone, and thus may be important in the overall evaluation of the potential hazard from contamination. Downward contaminant transport through the unsaturated zone occurs through various processes and pathways; this can lead to a broad distribution of contaminant traveltimes, including exceedingly slow and unexpectedly fast extremes. Though the bulk of mobile contaminant arrives between the time-scale end members, the fastest contaminant transport speed, in other words the speed determined by the combination of possible processes and pathways that would bring a measureable quantity of contaminant to the aquifer in the shortest time, carries particular regulatory significance because of its relevance in formulating the most conservative hazard-prevention scenarios. Unsaturated-zone flow is usually modeled as a diffusive process responding to gravity and pressure gradients as mediated by the unsaturated hydraulic properties of the materials traversed. The mathematical formulation of the diffuse-flow concept is known as Richards' equation, which when coupled to a solute transport equation, such as the advection-dispersion equation, provides a framework to simulate contaminant migration in the unsaturated zone. In recent decades awareness has increased that much fluid flow and contaminant transport within the unsaturated

  5. Estimation of unsaturated zone traveltimes for Rainier Mesa and Shoshone Mountain, Nevada Test Site, Nevada, using a source-responsive preferential-flow model

    SciTech Connect

    Brian A. Ebel; John R. Nimmo

    2009-09-11

    Traveltimes for contaminant transport by water from a point in the unsaturated zone to the saturated zone are a concern at Rainier Mesa and Shoshone Mountain in the Nevada Test Site, Nevada. Where nuclear tests were conducted in the unsaturated zone, contaminants must traverse hundreds of meters of variably saturated rock before they enter the saturated zone in the carbonate rock, where the regional groundwater system has the potential to carry them substantial distances to a location of concern. The unsaturated-zone portion of the contaminant transport path may cause a significant delay, in addition to the time required to travel within the saturated zone, and thus may be important in the overall evaluation of the potential hazard from contamination. Downward contaminant transport through the unsaturated zone occurs through various processes and pathways; this can lead to a broad distribution of contaminant traveltimes, including exceedingly slow and unexpectedly fast extremes. Though the bulk of mobile contaminant arrives between the time-scale end members, the fastest contaminant transport speed, in other words the speed determined by the combination of possible processes and pathways that would bring a measureable quantity of contaminant to the aquifer in the shortest time, carries particular regulatory significance because of its relevance in formulating the most conservative hazard-prevention scenarios. Unsaturated-zone flow is usually modeled as a diffusive process responding to gravity and pressure gradients as mediated by the unsaturated hydraulic properties of the materials traversed. The mathematical formulation of the diffuse-flow concept is known as Richards' equation, which when coupled to a solute transport equation, such as the advection-dispersion equation, provides a framework to simulate contaminant migration in the unsaturated zone. In recent decades awareness has increased that much fluid flow and contaminant transport within the unsaturated

  6. 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.

  7. 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.

  8. Meeting in Turkey: WASP Transport Modeling and WASP Ecological Modeling

    EPA Science Inventory

    A combination of lectures, demonstrations, and hands-on excercises will be used to introduce pollutant transport modeling with the U.S. EPA's general water quality model, WASP (Water Quality Analysis Simulation Program). WASP features include a user-friendly Windows-based interfa...

  9. Meeting in Korea: WASP Transport Modeling and WASP Ecological Modeling

    EPA Science Inventory

    A combination of lectures, demonstrations, and hands-on excercises will be used to introduce pollutant transport modeling with the U.S. EPA's general water quality model, WASP (Water Quality Analysis Simulation Program). WASP features include a user-friendly Windows-based interfa...

  10. Thermal Transport Model for Heat Sink Design

    NASA Technical Reports Server (NTRS)

    Chervenak, James A.; Kelley, Richard L.; Brown, Ari D.; Smith, Stephen J.; Kilbourne, Caroline a.

    2009-01-01

    A document discusses the development of a finite element model for describing thermal transport through microcalorimeter arrays in order to assist in heat-sinking design. A fabricated multi-absorber transition edge sensor (PoST) was designed in order to reduce device wiring density by a factor of four. The finite element model consists of breaking the microcalorimeter array into separate elements, including the transition edge sensor (TES) and the silicon substrate on which the sensor is deposited. Each element is then broken up into subelements, whose surface area subtends 10 10 microns. The heat capacity per unit temperature, thermal conductance, and thermal diffusivity of each subelement are the model inputs, as are the temperatures of each subelement. Numerical integration using the Finite in Time Centered in Space algorithm of the thermal diffusion equation is then performed in order to obtain a temporal evolution of the subelement temperature. Thermal transport across interfaces is modeled using a thermal boundary resistance obtained using the acoustic mismatch model. The document concludes with a discussion of the PoST fabrication. PoSTs are novel because they enable incident x-ray position sensitivity with good energy resolution and low wiring density.

  11. Understanding transport in model water desalination membranes

    NASA Astrophysics Data System (ADS)

    Chan, Edwin

    Polyamide based thin film composites represent the the state-of-the-art nanofiltration and reverse osmosis membranes used in water desalination. The performance of these membranes is enabled by the ultrathin (~100 nm) crosslinked polyamide film in facilitating the selective transport of water over salt ions. While these materials have been refined over the last several decades, understanding the relationships between polyamide structure and membrane performance remains a challenge because of the complex and heterogeneous nature of the polyamide film. In this contribution, we present our approach to addressing this challenge by studying the transport properties of model polyamide membranes synthesized via molecular layer-by-layer (mLbL) assembly. First, we demonstrate that mLbL can successfully construct polyamide membranes with well-defined nanoscale thickness and roughness using a variety of monomer formulations. Next, we present measurement tools for characterizing the network structure and transport of these model polyamide membranes. Specifically, we used X-ray and neutron scattering techniques to characterize their structure as well as a recently-developed indentation based poromechanics approach to extrapolate their water diffusion coefficient. Finally, we illustrate how these measurements can provide insight into the original problem by linking the key polyamide network properties, i.e. water-polyamide interaction parameter and characteristic network mesh size, to the membrane performance.

  12. Transport Model of Underground Sediment in Soils

    PubMed Central

    Guangqian, Wang

    2013-01-01

    Studies about sediment erosion were mainly concentrated on the river channel sediment, the terrestrial sediment, and the underground sediment. The transport process of underground sediment is studied in the paper. The concept of the flush potential sediment is founded. The transport equation with stable saturated seepage is set up, and the relations between the flush potential sediment and water sediment are discussed. Flushing of underground sediment begins with small particles, and large particles will be taken away later. The pore ratio of the soil increases gradually. The flow ultimately becomes direct water seepage, and the sediment concentration at the same position in the water decreases over time. The concentration of maximal flushing potential sediment decreases along the path. The underground sediment flushing model reflects the flushing mechanism of underground sediment. PMID:24288479

  13. Modeling Electrical Transport through Nucleic Acids

    NASA Astrophysics Data System (ADS)

    Qi, Jianqing

    Nucleic acids play a vital role in many biological systems and activities. In recent years, engineers and scientists have been interested in studying their electrical properties. The motivation for these studies stems from the following facts: (1) the bases, which form the building blocks of nucleic acids, have unique ionization potentials. Further, nucleic acids are one of the few nanomaterials that can be reproducibly manufactured with a high degree of accuracy (though admittedly their placement at desired locations remains a challenge). As a result, designed strands with specific sequences may offer unique device properties; (2) electrical methods offer potential for sequencing nucleic acids based on a single molecule; (3) electrical methods for disease detection based on the current flowing through nucleic acids are beginning to be demonstrated. While experiments in the above mentioned areas is promising, a deeper understanding of the electrical current flow through the nucleic acids needs to be developed. The modeling of current flowing in these molecules is complex because: (1) they are based on atomic scale contacts between nucleic acids and metal, which cannot be reproducibly built; (2) the conductivity of nucleic acids is easily influenced by the environment, which is constantly changing; and (3) the nucleic acids by themselves are floppy. This thesis focuses on the modeling of electrical transport through nucleic acids that are connected to two metal electrodes at nanoscale. We first develop a decoherent transport model for the double-stranded helix based on the Landauer-Buttiker framework. This model is rationalized by comparison with an experiment that measured the conductance of four different DNA strands. The developed model is then used to study the: (1) potential to make barriers and wells for quantum transport using specifically engineered sequences; (2) change in the electrical properties of a specific DNA strand with and without methylation; (3

  14. Io Volcanism: Modeling Vapor And Heat Transport

    NASA Astrophysics Data System (ADS)

    Allen, Daniel R.; Howell, R. R.

    2010-10-01

    Loki is a large, active volcanic source on Jupiter's moon, Io, whose overall temperatures are well explained by current cooling models, but there are unexplainable subtleties. Using the SO2 atmospheric models of Ingersoll (1989) as a starting point, we are investigating how volatiles, specifically sulfur, are transported on the surface and how they modify the temperatures at Loki and other volcanoes. Voyager images reveal light colored deposits, colloquially called "sulfur bergs,” on Loki's dark patera floor that may be sulfur fumaroles. Galileo images show the presence of red short-chain sulfur deposits around the patera. We are investigating the mechanisms that lead to these features. The light deposits are a few kilometers across. Calculations of the mean free paths for day time conditions on Io indicate lengths on the order of 0.1 km while poorly constrained night time conditions indicate mean free paths about 100 times greater, on the order of what is needed to produce the deposits under ballistic conditions. Preliminary calculations reveal horizontal transport length scales for diffuse transport in a collisional atmosphere of approximately 30 km for sublimating S8 sulfur at 300 K. These length scales would be sufficient to move the sulfur from the warm patera floor to the locations of the red sulfur deposits. At a typical Loki temperature of 300 K, the sublimation/evaporation rate of S8 is a few tens of microns/day. It then requires just a few days to deposit an optically thick 100 µm layer of material. Preliminary length scales and sublimation rates are thus of sufficient scale to produce the deposits. Investigations into the sulfur transport and its effect on temperature are ongoing.

  15. 3 Lectures: "Lagrangian Models", "Numerical Transport Schemes", and "Chemical and Transport Models"

    NASA Technical Reports Server (NTRS)

    Douglass, A.

    2005-01-01

    The topics for the three lectures for the Canadian Summer School are Lagrangian Models, numerical transport schemes, and chemical and transport models. In the first lecture I will explain the basic components of the Lagrangian model (a trajectory code and a photochemical code), the difficulties in using such a model (initialization) and show some applications in interpretation of aircraft and satellite data. If time permits I will show some results concerning inverse modeling which is being used to evaluate sources of tropospheric pollutants. In the second lecture I will discuss one of the core components of any grid point model, the numerical transport scheme. I will explain the basics of shock capturing schemes, and performance criteria. I will include an example of the importance of horizontal resolution to polar processes. We have learned from NASA's global modeling initiative that horizontal resolution matters for predictions of the future evolution of the ozone hole. The numerical scheme will be evaluated using performance metrics based on satellite observations of long-lived tracers. The final lecture will discuss the evolution of chemical transport models over the last decade. Some of the problems with assimilated winds will be demonstrated, using satellite data to evaluate the simulations.

  16. Investigation of flow and transport processes at the MADE site using ensemble Kalman filter

    USGS Publications Warehouse

    Liu, Gaisheng; Chen, Y.; Zhang, Dongxiao

    2008-01-01

    In this work the ensemble Kalman filter (EnKF) is applied to investigate the flow and transport processes at the macro-dispersion experiment (MADE) site in Columbus, MS. The EnKF is a sequential data assimilation approach that adjusts the unknown model parameter values based on the observed data with time. The classic advection-dispersion (AD) and the dual-domain mass transfer (DDMT) models are employed to analyze the tritium plume during the second MADE tracer experiment. The hydraulic conductivity (K), longitudinal dispersivity in the AD model, and mass transfer rate coefficient and mobile porosity ratio in the DDMT model, are estimated in this investigation. Because of its sequential feature, the EnKF allows for the temporal scaling of transport parameters during the tritium concentration analysis. Inverse simulation results indicate that for the AD model to reproduce the extensive spatial spreading of the tritium observed in the field, the K in the downgradient area needs to be increased significantly. The estimated K in the AD model becomes an order of magnitude higher than the in situ flowmeter measurements over a large portion of media. On the other hand, the DDMT model gives an estimation of K that is much more comparable with the flowmeter values. In addition, the simulated concentrations by the DDMT model show a better agreement with the observed values. The root mean square (RMS) between the observed and simulated tritium plumes is 0.77 for the AD model and 0.45 for the DDMT model at 328 days. Unlike the AD model, which gives inconsistent K estimates at different times, the DDMT model is able to invert the K values that consistently reproduce the observed tritium concentrations through all times. ?? 2008 Elsevier Ltd. All rights reserved.

  17. Can contaminant transport models predict breakthrough?

    USGS Publications Warehouse

    Peng, Wei-Shyuan; Hampton, Duane R.; Konikow, Leonard F.; Kambham, Kiran; Benegar, Jeffery J.

    2000-01-01

    A solute breakthrough curve measured during a two-well tracer test was successfully predicted in 1986 using specialized contaminant transport models. Water was injected into a confined, unconsolidated sand aquifer and pumped out 125 feet (38.3 m) away at the same steady rate. The injected water was spiked with bromide for over three days; the outflow concentration was monitored for a month. Based on previous tests, the horizontal hydraulic conductivity of the thick aquifer varied by a factor of seven among 12 layers. Assuming stratified flow with small dispersivities, two research groups accurately predicted breakthrough with three-dimensional (12-layer) models using curvilinear elements following the arc-shaped flowlines in this test. Can contaminant transport models commonly used in industry, that use rectangular blocks, also reproduce this breakthrough curve? The two-well test was simulated with four MODFLOW-based models, MT3D (FD and HMOC options), MODFLOWT, MOC3D, and MODFLOW-SURFACT. Using the same 12 layers and small dispersivity used in the successful 1986 simulations, these models fit almost as accurately as the models using curvilinear blocks. Subtle variations in the curves illustrate differences among the codes. Sensitivities of the results to number and size of grid blocks, number of layers, boundary conditions, and values of dispersivity and porosity are briefly presented. The fit between calculated and measured breakthrough curves degenerated as the number of layers and/or grid blocks decreased, reflecting a loss of model predictive power as the level of characterization lessened. Therefore, the breakthrough curve for most field sites can be predicted only qualitatively due to limited characterization of the hydrogeology and contaminant source strength.

  18. Uncertanity Analysis in Parameter Estimation of Coupled Bacteria-Sediment Fate and Transport in Streams

    NASA Astrophysics Data System (ADS)

    Massoudieh, A.; Le, T.; Pachepsky, Y. A.

    2014-12-01

    E. coli is widely used as an fecal indicator bacteria in streams. It has been shown that the interaction between sediments and the bacteria is an important factor in determining its fate and transport in water bodies. In this presentation parameter estimation and uncertainty analysis of a mechanistic model of bacteria-sediment interaction respectively using a hybrid genetic algorithm and Makov-Chain Monte Carlo (MCMC) approach will be presented. The physically-based model considers the advective-dispersive transport of sediments as well as both free-floating and sediment-associated bacteria in the water column and also the fate and transport of bacteria in the bed sediments in a small stream. The bed sediments are treated as a distributed system which allows modeling the evolution of the vertical distribution of bacteria as a result of sedimentation and resuspension, diffusion and bioturbation in the sediments. One-dimensional St. Venant's equation is used to model flow in the stream. The model is applied to sediment and E. coli concentration data collected during a high flow event in a small stream historically receiving agricultural runoff. Measured total suspended sediments and total E. coli concentrations in the water column at three sections of the stream are used for the parameter estimation. The data on the initial distribution of E. coli in the sediments was available and was used as the initial conditions. The MCMC method is used to estimate the joint probability distribution of model parameters including sediment deposition and erosion rates, critical shear stress for deposition and erosion, attachment and detachment rate constants of E. coli to/from sediments and also the effective diffusion coefficients of E. coli in the bed sediments. The uncertainties associated with the estimated parameters are quantified via the MCMC approach and the correlation between the posterior distribution of parameters have been used to assess the model adequacy and

  19. 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.

  20. 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.

  1. Risk management model in road transport systems

    NASA Astrophysics Data System (ADS)

    Sakhapov, R. L.; Nikolaeva, R. V.; Gatiyatullin, M. H.; Makhmutov, M. M.

    2016-08-01

    The article presents the results of a study of road safety indicators that influence the development and operation of the transport system. Road safety is considered as a continuous process of risk management. Authors constructed a model that relates the social risks of a major road safety indicator - the level of motorization. The model gives a fairly accurate assessment of the level of social risk for any given level of motorization. Authors calculated the dependence of the level of socio-economic costs of accidents and injured people in them. The applicability of the concept of socio-economic damage is caused by the presence of a linear relationship between the natural and economic indicators damage from accidents. The optimization of social risk is reduced to finding the extremum of the objective function that characterizes the economic effect of the implementation of measures to improve safety. The calculations make it possible to maximize the net present value, depending on the costs of improving road safety, taking into account socio-economic damage caused by accidents. The proposed econometric models make it possible to quantify the efficiency of the transportation system, allow to simulate the change in road safety indicators.

  2. A space transportation system operations model

    NASA Technical Reports Server (NTRS)

    Morris, W. Douglas; White, Nancy H.

    1987-01-01

    Presented is a description of a computer program which permits assessment of the operational support requirements of space transportation systems functioning in both a ground- and space-based environment. The scenario depicted provides for the delivery of payloads from Earth to a space station and beyond using upper stages based at the station. Model results are scenario dependent and rely on the input definitions of delivery requirements, task times, and available resources. Output is in terms of flight rate capabilities, resource requirements, and facility utilization. A general program description, program listing, input requirements, and sample output are included.

  3. An analysis of performance models for free water surface wetlands.

    PubMed

    Carleton, James N; Montas, Hubert J

    2010-06-01

    Although treatment wetlands are intended to attenuate pollutants, reliably predicting their performance remains a challenge because removal processes are often complex, spatially heterogeneous, and incompletely understood. Although initially popular for characterizing wetland performance, plug flow reactor models are problematic because their parameters exhibit correlation with hydraulic loading. One-dimensional advective-dispersive-reactive models may also be inadequate when longitudinal dispersion is non-Fickian as a result of pronounced transverse gradients in velocity (preferential flow). Models that make use of residence time distributions have shown promise in improving wetland performance characterization, however their applicability may be limited by certain inherent assumptions, e.g. that transverse mixing is nil. A recently-developed bicontinuum (mobile-mobile) model that addresses some of these weaknesses may hold promise for improving wetland performance modeling, however this model has yet to be tested against real-world wetland data. This paper examines the state of the science of free water surface wetland hydrodynamics and transport modeling, discusses the strengths and weaknesses of various steady state models, and compares them to each other in terms of each model's ability to represent data sets from monitored wetlands.

  4. A soil-plant model applied to phytoremediation of metals.

    PubMed

    Lugli, Francesco; Mahler, Claudio Fernando

    2016-01-01

    This study reports a phytoremediation pot experiment using an open-source program. Unsaturated water flow was described by the Richards' equation and solute transport by the advection-dispersion equation. Sink terms in the governing flow and transport equations accounted for root water and solute uptake, respectively. Experimental data were related to application of Vetiver grass to soil contaminated by metal ions. Sensitivity analysis revealed that due to the specific experimental set-up (bottom flux not allowed), hydraulic model parameters did not influence root water (and contaminant) uptake. In contrast, the results were highly correlated with plant solar radiation interception efficiency (leaf area index). The amounts of metals accumulated in the plant tissue were compared to numerical values of cumulative uptake. Pb(2+) and Zn(2+) uptake was satisfactorily described using a passive model. However, for Ni(2+) and Cd(2+), a specific calibration of the active uptake model was necessary. Calibrated MM parameters for Ni(2+), Cd(2+), and Pb(2+) were compared to values in the literature, generally suggesting lower rates and saturation advance. A parameter (saturation ratio) was introduced to assess the efficiency of contaminant uptake. Numerical analysis, applying actual field conditions, showed the limitation of the active model for being independent of the transpiration rate.

  5. Conceptual and Numerical Models for UZ Flow and Transport

    SciTech Connect

    H. Liu

    2000-03-03

    The purpose of this Analysis/Model Report (AMR) is to document the conceptual and numerical models used for modeling of unsaturated zone (UZ) fluid (water and air) flow and solute transport processes. This is in accordance with ''AMR Development Plan for U0030 Conceptual and Numerical Models for Unsaturated Zone (UZ) Flow and Transport Processes, Rev 00''. The conceptual and numerical modeling approaches described in this AMR are used for models of UZ flow and transport in fractured, unsaturated rock under ambient and thermal conditions, which are documented in separate AMRs. This AMR supports the UZ Flow and Transport Process Model Report (PMR), the Near Field Environment PMR, and the following models: Calibrated Properties Model; UZ Flow Models and Submodels; Mountain-Scale Coupled Processes Model; Thermal-Hydrologic-Chemical (THC) Seepage Model; Drift Scale Test (DST) THC Model; Seepage Model for Performance Assessment (PA); and UZ Radionuclide Transport Models.

  6. Model of reversible vesicular transport with exclusion

    NASA Astrophysics Data System (ADS)

    Bressloff, Paul C.; Karamched, Bhargav R.

    2016-08-01

    A major question in neurobiology concerns the mechanics behind the motor-driven transport and delivery of vesicles to synaptic targets along the axon of a neuron. Experimental evidence suggests that the distribution of vesicles along the axon is relatively uniform and that vesicular delivery to synapses is reversible. A recent modeling study has made explicit the crucial role that reversibility in vesicular delivery to synapses plays in achieving uniformity in vesicle distribution, so called synaptic democracy (Bressloff et al 2015 Phys. Rev. Lett. 114 168101). In this paper we generalize the previous model by accounting for exclusion effects (hard-core repulsion) that may occur between molecular motor-cargo complexes (particles) moving along the same microtubule track. The resulting model takes the form of an exclusion process with four internal states, which distinguish between motile and stationary particles, and whether or not a particle is carrying vesicles. By applying a mean field approximation and an adiabatic approximation we reduce the system of ODEs describing the evolution of occupation numbers of the sites on a 1D lattice to a system of hydrodynamic equations in the continuum limit. We find that reversibility in vesicular delivery allows for synaptic democracy even in the presence of exclusion effects, although exclusion does exacerbate nonuniform distributions of vesicles in an axon when compared with a model without exclusion. We also uncover the relationship between our model and other models of exclusion processes with internal states.

  7. Experimental & Numerical Modeling of Non-combusting Model Firebrands' Transport

    NASA Astrophysics Data System (ADS)

    Tohidi, Ali; Kaye, Nigel

    2016-11-01

    Fire spotting is one of the major mechanisms of wildfire spread. Three phases of this phenomenon are firebrand formation and break-off from burning vegetation, lofting and downwind transport of firebrands through the velocity field of the wildfire, and spot fire ignition upon landing. The lofting and downwind transport phase is modeled by conducting large-scale wind tunnel experiments. Non-combusting rod-like model firebrands with different aspect ratios are released within the velocity field of a jet in a boundary layer cross-flow that approximates the wildfire velocity field. Characteristics of the firebrand dispersion are quantified by capturing the full trajectory of the model firebrands using the developed image processing algorithm. The results show that the lofting height has a direct impact on the maximum travel distance of the model firebrands. Also, the experimental results are utilized for validation of a highly scalable coupled stochastic & parametric firebrand flight model that, couples the LES-resolved velocity field of a jet-in-nonuniform-cross-flow (JINCF) with a 3D fully deterministic 6-degrees-of-freedom debris transport model. The validation results show that the developed numerical model is capable of estimating average statistics of the firebrands' flight. Authors would like to thank support of the National Science Foundation under Grant No. 1200560. Also, the presenter (Ali Tohid) would like to thank Dr. Michael Gollner from the University of Maryland College Park for the conference participation support.

  8. Modeling photon transport in transabdominal fetal oximetry

    NASA Astrophysics Data System (ADS)

    Jacques, Steven L.; Ramanujam, Nirmala; Vishnoi, Gargi; Choe, Regine; Chance, Britton

    2000-07-01

    The possibility of optical oximetry of the blood in the fetal brain measured across the maternal abdomen just prior to birth is under investigated. Such measurements could detect fetal distress prior to birth and aid in the clinical decision regarding Cesarean section. This paper uses a perturbation method to model photon transport through a 8- cm-diam fetal brain located at a constant 2.5 cm below a curved maternal abdominal surface with an air/tissue boundary. In the simulation, a near-infrared light source delivers light to the abdomen and a detector is positioned up to 10 cm from the source along the arc of the abdominal surface. The light transport [W/cm2 fluence rate per W incident power] collected at the 10 cm position is Tm equals 2.2 X 10-6 cm-2 if the fetal brain has the same optical properties as the mother and Tf equals 1.0 X 10MIN6 cm-2 for an optically perturbing fetal brain with typical brain optical properties. The perturbation P equals (Tf - Tm)/Tm is -53% due to the fetal brain. The model illustrates the challenge and feasibility of transabdominal oximetry of the fetal brain.

  9. Modeling the quasistatic energy transport between nanoparticles

    NASA Astrophysics Data System (ADS)

    Panasyuk, George Y.; Yerkes, Kirk L.

    2015-12-01

    We consider phononic energy transport between nanoparticles mediated by a quantum particle. The nanoparticles are considered as thermal reservoirs described by ensembles of finite numbers of harmonic oscillators within the Drude-Ullersma model having, in general, unequal mode spacings Δ1 and Δ2, which amount to different numbers of atoms in the nanoparticles. The quasistatic energy transport between the nanoparticles on the time scale t ˜1 /Δ1 ,2 is investigated using the generalized quantum Langevin equation. We find that double degeneracy of system's eigenfrequencies, which occurs in the case of identical nanoparticles, is removed when the mode spacings become unequal. The equations describing the dynamics of the averaged eigenmode energies are derived and solved, and the resulting expression for the energy current between the nanoparticles is obtained and explored. Unlike the case when the thermodynamic limit is assumed resulting in time-independent energy current, finite-size effects result in temporal behavior of the energy current that evinces reversibility features combined with decay and possesses peculiarities at time moments t =2 π n /Δ1+2 π m /Δ2 for non-negative integers n and m . When Δ1 ,2→0 , an expression for the heat current obtained previously under assumption of the thermodynamic limit is reproduced. The energy current between two platinum nanoparticles mediated by a carbon oxide molecule is considered as an application of the developed model.

  10. Modeling the quasistatic energy transport between nanoparticles.

    PubMed

    Panasyuk, George Y; Yerkes, Kirk L

    2015-12-01

    We consider phononic energy transport between nanoparticles mediated by a quantum particle. The nanoparticles are considered as thermal reservoirs described by ensembles of finite numbers of harmonic oscillators within the Drude-Ullersma model having, in general, unequal mode spacings Δ(1) and Δ(2), which amount to different numbers of atoms in the nanoparticles. The quasistatic energy transport between the nanoparticles on the time scale t∼1/Δ(1,2) is investigated using the generalized quantum Langevin equation. We find that double degeneracy of system's eigenfrequencies, which occurs in the case of identical nanoparticles, is removed when the mode spacings become unequal. The equations describing the dynamics of the averaged eigenmode energies are derived and solved, and the resulting expression for the energy current between the nanoparticles is obtained and explored. Unlike the case when the thermodynamic limit is assumed resulting in time-independent energy current, finite-size effects result in temporal behavior of the energy current that evinces reversibility features combined with decay and possesses peculiarities at time moments t=2πn/Δ(1)+2πm/Δ(2) for non-negative integers n and m. When Δ(1,2)→0, an expression for the heat current obtained previously under assumption of the thermodynamic limit is reproduced. The energy current between two platinum nanoparticles mediated by a carbon oxide molecule is considered as an application of the developed model.

  11. Modeling Tokamak Transport with Neural-Network Based Models

    NASA Astrophysics Data System (ADS)

    Meneghini, O.; Luna, C.; Penna, J.; Smith, S. P.; Lao, L. L.

    2014-10-01

    This work uses neural networks (NNs) as a means to extract information from the massive volume of aggregated data that are available either from experiments or from simulation databases, and distill an accurate transport model for the heat, particle, and momentum transport fluxes as a function of local dimensionless plasma parameters. The resulting model has been benchmarked with over 4000 DIII-D plasmas in different regimes, and it is able to capture the experimental behavior inside of ρ < 0 . 95 with average error <20% for all transport channels. The NN model was embedded into the ONETWO transport code and is now being used to develop time-dependent scenarios in support of DIII-D operations. The simulated temperature, density and rotation profiles closely match the experimental measurements, and a stiff response of the heat fluxes has been observed in the model for increasing source power. The numerical efficiency of the NN approach makes it ideal for real time plasma control and scenario preparation for current experiments and for ITER. Work supported in part by the US DOE under DE-FG02-95ER54309 and DE-FC02-04ER54698.

  12. Documentation of TRU biological transport model (BIOTRAN)

    SciTech Connect

    Gallegos, A.F.; Garcia, B.J.; Sutton, C.M.

    1980-01-01

    Inclusive of Appendices, this document describes the purpose, rationale, construction, and operation of a biological transport model (BIOTRAN). This model is used to predict the flow of transuranic elements (TRU) through specified plant and animal environments using biomass as a vector. The appendices are: (A) Flows of moisture, biomass, and TRU; (B) Intermediate variables affecting flows; (C) Mnemonic equivalents (code) for variables; (D) Variable library (code); (E) BIOTRAN code (Fortran); (F) Plants simulated; (G) BIOTRAN code documentation; (H) Operating instructions for BIOTRAN code. The main text is presented with a specific format which uses a minimum of space, yet is adequate for tracking most relationships from their first appearance to their formulation in the code. Because relationships are treated individually in this manner, and rely heavily on Appendix material for understanding, it is advised that the reader familiarize himself with these materials before proceeding with the main text.

  13. Measurement and modeling of oil slick transport

    NASA Astrophysics Data System (ADS)

    Jones, Cathleen E.; Dagestad, Knut-Frode; Breivik, Åyvind; Holt, Benjamin; Röhrs, Johannes; Christensen, Kai Hâkon; Espeseth, Martine; Brekke, Camilla; Skrunes, Stine

    2016-10-01

    Transport characteristics of oil slicks are reported from a controlled release experiment conducted in the North Sea in June 2015, during which mineral oil emulsions of different volumetric oil fractions and a look-alike biogenic oil were released and allowed to develop naturally. The experiment used the Uninhabited Aerial Vehicle Synthetic Aperture Radar (UAVSAR) to track slick location, size, and shape for ˜8 h following release. Wind conditions during the exercise were at the high end of the range considered suitable for radar-based slick detection, but the slicks were easily detectable in all images acquired by the low noise, L-band imaging radar. The measurements are used to constrain the entrainment length and representative droplet radii for oil elements in simulations generated using the OpenOil advanced oil drift model. Simultaneously released drifters provide near-surface current estimates for the single biogenic release and one emulsion release, and are used to test model sensitivity to upper ocean currents and mixing. Results of the modeling reveal a distinct difference between the transport of the biogenic oil and the mineral oil emulsion, in particular in the vertical direction, with faster and deeper entrainment of significantly smaller droplets of the biogenic oil. The difference in depth profiles for the two types of oils is substantial, with most of the biogenic oil residing below depths of 10 m, compared to the majority of the emulsion remaining above 10 m depth. This difference was key to fitting the observed evolution of the two different types of slicks.

  14. RAETRAD MODEL OF RADON GAS GENERATION, TRANSPORT, AND INDOOR ENTRY

    EPA Science Inventory

    The report describes the theoretical basis, implementation, and validation of the Radon Emanation and Transport into Dwellings (RAETRAD) model, a conceptual and mathematical approach for simulating radon (222Rn) gas generation and transport from soils and building foundations to ...

  15. Heterogeneous processes affecting metal ion transport in the presence of organic ligands: Reactive transport modeling

    NASA Astrophysics Data System (ADS)

    Kantar, Cetin

    2007-04-01

    The development of models to accurately simulate metal ion transport through saturated systems under variable chemical conditions, e.g., in systems containing organic ligands (L) such as natural organic matter (NOM), has two essential aspects: (1) establishing the ability to simulate metal ion sorption to aquifer solids over a range of metal/ligand ratios; and (2) to incorporate this ability to simulate metal speciation over a range in chemical conditions (e.g., pH, ligand activity) into mass transport models. Modeling approaches to evaluate metal ion sorption and transport in the presence of NOM include: (1) isotherm-based transport models, and (2) multicomponent (MC) transport models. The accuracy of transport models depends on how well the chemical interactions affecting metal ion transport in the presence of organic ligands (e.g., metal/ligand complexation) are described in transport equations. The isotherm-based transport models often fail to accurately describe metal ion transport in the presence of NOM since these models treat NOM as a single solute despite the fact that NOM is a multicomponent mixture of subcomponents with different chemical and polyfunctional behavior. On the other hand, the calculations presented in this study suggest that a multicomponent reactive transport model, in conjunction with a mechanistic modeling approach for the description of metal ion binding by NOM in a manner conducive to the application of surface complexation modeling (SCM), can effectively be used as an important predictive tool in simulating metal ion sorption and transport under variable chemical conditions in the presence of NOM.

  16. Modeling diffusion and adsorption in compacted bentonite: a critical review

    NASA Astrophysics Data System (ADS)

    Bourg, Ian C.; Bourg, Alain C. M.; Sposito, Garrison

    2003-03-01

    The current way of describing diffusive transport through compacted clays is a simple diffusion model coupled to a linear adsorption coefficient ( Kd). To fit the observed results of cation diffusion, this model is usually extended with an adjustable "surface diffusion" coefficient. Description of the negative adsorption of anions calls for a further adjustment through the use of an "effective porosity". The final model thus includes many fitting parameters. This is inconvenient where predictive modeling is called for (e.g., for waste confinement using compacted clay liners). The diffusion/adsorption models in current use have been derived from the common hydrogeological equation of advection/dispersion/adsorption. However, certain simplifications were also borrowed without questioning their applicability to the case of compacted clays. Among these simplifications, the assumption that the volume of the adsorbed phase is negligible should be discussed. We propose a modified diffusion/adsorption model that accounts for the volume of the adsorbed phase. It suggests that diffusion through highly compacted clay takes place through the interlayers (i.e., in the adsorbed phase). Quantitative prediction of the diffusive flux will necessitate more detailed descriptions of surface reactivity and of the mobility of interlayer species.

  17. 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.

  18. Advanced propulsion for LEO-Moon transport. 3: Transportation model. M.S. Thesis - California Univ.

    NASA Technical Reports Server (NTRS)

    Henley, Mark W.

    1992-01-01

    A simplified computational model of low Earth orbit-Moon transportation system has been developed to provide insight into the benefits of new transportation technologies. A reference transportation infrastructure, based upon near-term technology developments, is used as a departure point for assessing other, more advanced alternatives. Comparison of the benefits of technology application, measured in terms of a mass payback ratio, suggests that several of the advanced technology alternatives could substantially improve the efficiency of low Earth orbit-Moon transportation.

  19. 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.

  20. Modeling Oxygen Transport in the Human Placenta

    NASA Astrophysics Data System (ADS)

    Serov, Alexander; Filoche, Marcel; Salafia, Carolyn; Grebenkov, Denis

    Efficient functioning of the human placenta is crucial for the favorable pregnancy outcome. We construct a 3D model of oxygen transport in the placenta based on its histological cross-sections. The model accounts for both diffusion and convention of oxygen in the intervillous space and allows one to estimate oxygen uptake of a placentone. We demonstrate the existence of an optimal villi density maximizing the uptake and explain it as a trade-off between the incoming oxygen flow and the absorbing villous surface. Calculations performed for arbitrary shapes of fetal villi show that only two geometrical characteristics - villi density and the effective villi radius - are required to predict fetal oxygen uptake. Two combinations of physiological parameters that determine oxygen uptake are also identified: maximal oxygen inflow of a placentone and the Damköhler number. An automatic image analysis method is developed and applied to 22 healthy placental cross-sections demonstrating that villi density of a healthy human placenta lies within 10% of the optimal value, while overall geometry efficiency is rather low (around 30-40%). In a perspective, the model can constitute the base of a reliable tool of post partum oxygen exchange efficiency assessment in the human placenta. Also affiliated with Department of Chemistry and Biochemistry, UCLA, Los Angeles, CA 90095, USA.

  1. Modeling Biodegradation and Reactive Transport: Analytical and Numerical Models

    SciTech Connect

    Sun, Y; Glascoe, L

    2005-06-09

    The computational modeling of the biodegradation of contaminated groundwater systems accounting for biochemical reactions coupled to contaminant transport is a valuable tool for both the field engineer/planner with limited computational resources and the expert computational researcher less constrained by time and computer power. There exists several analytical and numerical computer models that have been and are being developed to cover the practical needs put forth by users to fulfill this spectrum of computational demands. Generally, analytical models provide rapid and convenient screening tools running on very limited computational power, while numerical models can provide more detailed information with consequent requirements of greater computational time and effort. While these analytical and numerical computer models can provide accurate and adequate information to produce defensible remediation strategies, decisions based on inadequate modeling output or on over-analysis can have costly and risky consequences. In this chapter we consider both analytical and numerical modeling approaches to biodegradation and reactive transport. Both approaches are discussed and analyzed in terms of achieving bioremediation goals, recognizing that there is always a tradeoff between computational cost and the resolution of simulated systems.

  2. Development, Testing, and Sensitivity and Uncertainty Analyses of a Transport and Reaction Simulation Engine (TaRSE) for Spatially Distributed Modeling of Phosphorus in South Florida Peat Marsh Wetlands

    USGS Publications Warehouse

    Jawitz, James W.; Munoz-Carpena, Rafael; Muller, Stuart; Grace, Kevin A.; James, Andrew I.

    2008-01-01

    Alterations to the predevelopment delivery of water and nutrients into the Everglades of southern Florida have been occurring for nearly a century. Major regional drainage projects, large-scale agricultural development, and changes to the hydrology of the Kissimmee River-Lake Okeechobee watershed have resulted in substantial phosphorus transport increases by surface waters. Excess phosphorus has accumulated in the soils of northern Everglades marshes to levels that have impaired the natural resources of the region. Regulations now limit the amount of phosphorous that enters the Everglades through an extensive network of water-control structures. This study involved the development and application of water-quality modeling components that may be applied to existing hydrologic models of southern Florida to evaluate the effects of different management scenarios. The result of this work is a spatially distributed water-quality model for phosphorus transport and cycling in wetlands. The model solves the advection-dispersion equation on an unstructured triangular mesh and incorporates a wide range of user-selectable mechanisms for phosphorus uptake and release parameters. In general, the phosphorus model contains transfers between stores; examples of stores that can be included are soil, water column (solutes), pore water, macrophytes, suspended solids (plankton), and biofilm. Examples of transfers are growth, senescence, settling, diffusion, and so forth, described with first order, second order, and Monod types of transformations. Local water depths and velocities are determined from an existing two-dimensional, overland-flow hydrologic model. The South Florida Water Management District Regional Simulation Model was used in this study. The model is applied to three case studies: intact cores of wetland soils with water, outdoor mesocosoms, and a large constructed wetland; namely, Cell 4 of Stormwater Treatment Area 1 West (STA-1W Cell 4). Different levels of complexity

  3. 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...

  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. Modeling and analysis of transport in the mammary glands

    NASA Astrophysics Data System (ADS)

    Quezada, Ana; Vafai, Kambiz

    2014-08-01

    The transport of three toxins moving from the blood stream into the ducts of the mammary glands is analyzed in this work. The model predictions are compared with experimental data from the literature. The utility of the model lies in its potential to improve our understanding of toxin transport as a pre-disposing factor to breast cancer. This work is based on a multi-layer transport model to analyze the toxins present in the breast milk. The breast milk in comparison with other sampling strategies allows us to understand the mass transport of toxins once inside the bloodstream of breastfeeding women. The multi-layer model presented describes the transport of caffeine, DDT and cimetidine. The analysis performed takes into account the unique transport mechanisms for each of the toxins. Our model predicts the movement of toxins and/or drugs within the mammary glands as well as their bioaccumulation in the tissues.

  6. Offline tracer transport modeling with global WRF model data

    NASA Astrophysics Data System (ADS)

    Belikov, Dmitry; Maksytov, Shamil; Zaripov, Radomir; Bart, Andrey; Starchenko, Alexander

    2013-04-01

    This work describes the one-way coupling between a global configuration of the Weather Research and Forecasting (WRF) weather prediction model (http://wrf-model.org/) and the National Institute for Environmental Studies (NIES) three-dimensional offline chemical transport model (version NIES-08.1i). The primary motivation for developing this coupled model has been to reduce transport errors in global-scale simulation of greenhouse gases through a more detailed description of the meteorological conditions. We have implemented a global configuration of WRF model (version 3.4.1, ARW core) with 2.5 degree horizontal resolution and 32 vertical levels. The WRF model was driving with NCEP Final Analysis (FNL) reanalysis using combined techniques: FDDA + Cyclic Incremental Correction (like in intermittent data assimilation). Time-averaged mass-coupled horizontal velocities on sigma levels with approach supposed by Nehrkorn et al. (2010) are calculated to drive NIES TM. The NIES TM is designed to simulate natural and anthropogenic synoptic-scale variations in atmospheric constituents at diurnal, seasonal and interannual timescales. The model uses a mass-conservative flux-form formulation that consists of a third-order van Leer advection scheme and a horizontal dry-air mass flux correction. The horizontal latitude-longitude grid is a reduced rectangular grid (i.e., the grid size is doubled several times approaching the poles), with an initial spatial resolution of 2.5 deg x 2.5 deg and 32 vertical levels from the surface up to the level of 3 hPa. A simulations of the atmospheric tracer are used to evaluate the performance of the coupled WRF-NIES model. Simulated distributions are validated against in situ observations and compared with output from "standard" version of NIES TM driven by the Japanese 25-year Reanalysis/the Japan Meteorological Agency Climate Data Assimilation System (JRA-25/JCDAS) dataset. Fields calculated by WRF and used to drive NIES TM were also evaluated

  7. Modeling transportation of efavirenz: inference on possibility of mixed modes of transportation and kinetic solubility.

    PubMed

    Nemaura, Tafireyi

    2015-01-01

    Understanding drug transportation mechanisms in the human body is of paramount importance in modeling Pharmacokinetic-Pharmacodynamic relationships. This work gives a novel general model of efavirenz transportation projections based on concentrations simulated from patients on a dose of 600 mg. The work puts forward a proposition that transportation can wholly be modeled by concentration and time in a uniform volumetric space. Furthermore, movement entities are used to inform the state of "kinetic solubility" of a solution. There is use of Ricker's model, and forms of the Hill's equation in modeling transportation. Characterization on the movement rates of solution particle are suggested in relation to advection rate of solution particle. At turning points on the transportation rate of solution particle vs. concentration curve, a suggestion of possibly change of dominance in the mode of transportation and saturation is made. There are four movement rates postulated at primary micro-level transportation, that are attributed to convection, diffusion [passive transportation (EI )] and energy dependent system transportation (ED ) in relation to advection. Furthermore, a new parameter is introduced which is defined as an advection rate constant of solution particle. It is postulated to be dependent on two rate constants of solution particle, that is a convection rate constant of solution particle and a saturable transportation rate constant of solution particle. At secondary micro-level transportation, the results show convection as sum of advection and saturable transportation. The kinetics of dissolution of efavirenz in the solution space is postulated. Relatively, a good level of kinetics of dissolution is projected in the concentration region 0 - 32.82 μg/ml.

  8. 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.

  9. Evaluation of Tropical Transport in a Global Chemistry and Transport Model

    NASA Technical Reports Server (NTRS)

    Douglass, Anne R.; DaSilva, A. M.; Lin, S.-J.; Pawson, S.; Rood, R. B.; Bhartia, P. K. (Technical Monitor)

    2001-01-01

    Observations of constituents from satellite, aircraft and sondes can be utilized to develop diagnostics of various aspects of tropical transport. These include tropical mid-latitude isolation, the seasonal transport from the upper tropical troposphere to the mid-latitude lowermost stratosphere, the seasonal cycle of the tropical total ozone and its variability. These diagnostics will be applied to constituent fields from an off-line chemistry and transport model (CTM) driven by winds from two sources. These are the Finite Volume Community Climate Model (FV-CCM), a general circulation model that uses the NCAR CCM physics and the Lin and Rood dynamical core, and an assimilation system developed by the Data Assimilation Office at the Goddard Space Flight Center that uses the FV-CCM at its core. Signatures of the quasi-biennial oscillation present in the observations will be emphasized to understand differences between the two model transports and the transport inferred from the observations.

  10. Adsorption and transport of methane in biochars derived from waste wood.

    PubMed

    Sadasivam, Bala Yamini; Reddy, Krishna R

    2015-09-01

    Mitigation of landfill gas (LFG) is among the critical aspects considered in the design of a landfill cover in order to prevent atmospheric pollution and control global warming. In general, landfill cover soils can partially remove methane (CH4) through microbial oxidation carried out by methanotrophic bacteria present within them. The oxidizing capacity of these landfill cover soils may be improved by adding organic materials, such as biochar, which increase adsorption and promote subsequent or simultaneous oxidation of CH4. In this study, seven wood-derived biochars and granular activated carbon (GAC) were characterized for their CH4 adsorption capacity by conducting batch and small-scale column studies. The effects of influential factors, such as exposed CH4 concentration, moisture content and temperature on CH4 adsorption onto biochars, were determined. The CH4 transport was modeled using a 1-D advection-dispersion equation that accounted for sorption. The effects of LFG inflow rates and moisture content on the combined adsorption and transport properties of biochars were determined. The maximum CH4 adsorption capacity of GAC (3.21mol/kg) was significantly higher than that of the biochars (0.05-0.9mol/kg). The CH4 gas dispersion coefficients for all of the biochars ranged from 1×10(-3) to 3×10(-3)m(2)s(-1). The presence of moisture significantly suppressed the extent of methane adsorption onto the biochars and caused the methane to break through within shorter periods of time. Overall, certain biochar types have a high potential to enhance CH4 adsorption and transport properties when used as a cover material in landfills. However, field-scale studies need to be conducted in order to evaluate the performance of biochar-based cover system under a more dynamic field condition that captures the effect of seasonal and temporal changes.

  11. Making Transporter Models for Drug-Drug Interaction Prediction Mobile.

    PubMed

    Ekins, Sean; Clark, Alex M; Wright, Stephen H

    2015-10-01

    The past decade has seen increased numbers of studies publishing ligand-based computational models for drug transporters. Although they generally use small experimental data sets, these models can provide insights into structure-activity relationships for the transporter. In addition, such models have helped to identify new compounds as substrates or inhibitors of transporters of interest. We recently proposed that many transporters are promiscuous and may require profiling of new chemical entities against multiple substrates for a specific transporter. Furthermore, it should be noted that virtually all of the published ligand-based transporter models are only accessible to those involved in creating them and, consequently, are rarely shared effectively. One way to surmount this is to make models shareable or more accessible. The development of mobile apps that can access such models is highlighted here. These apps can be used to predict ligand interactions with transporters using Bayesian algorithms. We used recently published transporter data sets (MATE1, MATE2K, OCT2, OCTN2, ASBT, and NTCP) to build preliminary models in a commercial tool and in open software that can deliver the model in a mobile app. In addition, several transporter data sets extracted from the ChEMBL database were used to illustrate how such public data and models can be shared. Predicting drug-drug interactions for various transporters using computational models is potentially within reach of anyone with an iPhone or iPad. Such tools could help prioritize which substrates should be used for in vivo drug-drug interaction testing and enable open sharing of models.

  12. Revisiting the cape cod bacteria injection experiment using a stochastic modeling approach

    USGS Publications Warehouse

    Maxwell, R.M.; Welty, C.; Harvey, R.W.

    2007-01-01

    Bromide and resting-cell bacteria tracer tests conducted in a sandy aquifer at the U.S. Geological Survey Cape Cod site in 1987 were reinterpreted using a three-dimensional stochastic approach. Bacteria transport was coupled to colloid filtration theory through functional dependence of local-scale colloid transport parameters upon hydraulic conductivity and seepage velocity in a stochastic advection - dispersion/attachment - detachment model. Geostatistical information on the hydraulic conductivity (K) field that was unavailable at the time of the original test was utilized as input. Using geostatistical parameters, a groundwater flow and particle-tracking model of conservative solute transport was calibrated to the bromide-tracer breakthrough data. An optimization routine was employed over 100 realizations to adjust the mean and variance ofthe natural-logarithm of hydraulic conductivity (InK) field to achieve best fit of a simulated, average bromide breakthrough curve. A stochastic particle-tracking model for the bacteria was run without adjustments to the local-scale colloid transport parameters. Good predictions of mean bacteria breakthrough were achieved using several approaches for modeling components of the system. Simulations incorporating the recent Tufenkji and Elimelech (Environ. Sci. Technol. 2004, 38, 529-536) correlation equation for estimating single collector efficiency were compared to those using the older Rajagopalan and Tien (AIChE J. 1976, 22, 523-533) model. Both appeared to work equally well at predicting mean bacteria breakthrough using a constant mean bacteria diameter for this set of field conditions. Simulations using a distribution of bacterial cell diameters available from original field notes yielded a slight improvement in the model and data agreement compared to simulations using an average bacterial diameter. The stochastic approach based on estimates of local-scale parameters for the bacteria-transport process reasonably captured

  13. A survey of physically-based catchment-scale modeling over the last half century

    NASA Astrophysics Data System (ADS)

    Paniconi, Claudio; Putti, Mario

    2015-04-01

    Integrated, process-based based numerical models in hydrology and connected disciplines (ecohydrology, hydrometeorology, hydrogeomorphology, biogeochemistry, hydrogeophysics, etc) are rapidly evolving, spurred by advances in computer technology, numerical algorithms, and environmental observation, and by the need to better understand the potential impacts of population, land use, and climate change on water and other natural resources. At the catchment scale, simulation models are commonly based on conservation principles for surface and subsurface water flow and mass transport (e.g., the Richards, St. Venant, and advection-dispersion-reaction equations, and approximations thereof), and need to be resolved by robust numerical techniques for space and time discretization, linearization, interpolation, etc. Model development through the years has continually faced physical and numerical challenges arising from heterogeneity and variability in parameters and state variables; nonlinearities and scale effects in process interactions and interface dynamics; and complex or poorly known boundary conditions and initial system states. We give an historical perspective (past 50 years) on some of the key developments in physically-based hydrological modeling, examining how these various challenges have been addressed and providing some insight on future directions as catchment modeling enters a highly interdisciplinary era.

  14. Membrane transport of several ions during peritoneal dialysis: mathematical modeling.

    PubMed

    Galach, Magda; Waniewski, Jacek

    2012-09-01

    Peritoneal dialysis utilizes a complex mass exchange device created by natural permselective membranes of the visceral and abdominal muscle tissues. In mathematical modeling of solute transport during peritoneal dialysis, each solute is typically considered as a neutral, independent particle. However, such mathematical models cannot predict transport parameters for small ions. Therefore, the impact of the electrostatic interactions between ions on the estimated transport parameters needs to be investigated. In this study, transport of sodium, chloride, and a third ion through a permselective membrane with characteristics of the peritoneal transport barrier was described using two models: a model with the Nernst-Planck (NP) equations for a set of interacting ions and a model with combined diffusive and convective transport of each ion separately (DC). Transport parameters for the NP model were calculated using the pore theory, while the parameters for the DC model were estimated by fitting the model to the predictions from the NP model. Solute concentration profiles in the membrane obtained by computer simulations based on these two models were similar, whereas the transport parameters (diffusive mass transport parameters and sieving coefficients) were generally different. The presence of the third ion could substantially modify the values of diffusive mass parameter for sodium and chloride ions estimated using the DC model compared with those predicted by NP. The extent of this modification depended on the molecular mass and concentration of the third ion, and the rate of volumetric flow. Closed formulas for the transport parameters of the DC model in terms of the NP model parameters, ion concentration profiles in the membrane, and volumetric flow across the membrane were derived. Their reliable approximations, which include only boundary ion concentrations instead of spatial intramembrane concentration profiles, were formulated. The precision of this approximation

  15. Review of petroleum transport network models and their applicability to a national refinery model

    SciTech Connect

    Hooker, J. N.

    1982-04-01

    This report examines four petroleum transport network models to determine whether parts of them can be incorporated into the transportation component of a national refinery model. Two questions in particular are addressed. (a) How do the models under examination represent the oil transport network, estimate link capacities, and calculate transport costs. (b) Are any of these network representations, capacity estimates, or cost functions suitable for inclusion in a linear programming model of oil refinery and primary distribution in the US. Only pipeline and waterway transport is discussed. The models examined are the Department of Energy's OILNET model, the Department of Transportation's Freight Energy Model, the Federal Energy Administration Petroleum Transportation Network Model, and an Oak Ridge National Laboratory oil pipeline energy model. Link capacity and cost functions are recommended for each transport mode. The coefficients of the recommended pipeline cost functions remain to be estimated.

  16. Modeling atmospheric deposition using a stochastic transport model

    SciTech Connect

    Buckley, R.L.

    1999-12-17

    An advanced stochastic transport model has been modified to include the removal mechanisms of dry and wet deposition. Time-dependent wind and turbulence fields are generated with a prognostic mesoscale numerical model and are used to advect and disperse individually released particles that are each assigned a mass. These particles are subjected to mass reduction in two ways depending on their physical location. Particles near the surface experience a decrease in mass using the concept of a dry deposition velocity, while the mass of particles located within areas of precipitation are depleted using a scavenging coefficient. Two levels of complexity are incorporated into the particle model. The simple case assumes constant values of dry deposition velocity and scavenging coefficient, while the more complex case varies the values according to meteorology, surface conditions, release material, and precipitation intensity. Instantaneous and cumulative dry and wet deposition are determined from the mass loss due to these physical mechanisms. A useful means of validating the model results is with data available from a recent accidental release of Cesium-137 from a steel-processing furnace in Algeciras, Spain in May, 1998. This paper describes the deposition modeling technique, as well as a comparison of simulated concentration and deposition with measurements taken for the Algeciras release.

  17. A new modelling concept for aeolian sediment transport on beaches

    NASA Astrophysics Data System (ADS)

    de Vries, S.; Arens, S. M.; Stive, M. J. F.; Ranasinghe, R.

    2012-04-01

    This paper presents a new modelling concept for aeolian transport on beaches. Many research is invested in describing aeolian sediment transport for desert situations. Some of the principles of aeolian sediment transport in deserts are valid for application at the coastal zone but, where in deserts abundant sand is available for transport, in coastal situations sediment availability is limited. Sediment availability (or supply) is limited due to supply limiting factors such as moisture content of the bed, fetch effects and armouring of the surface. We propose a new sediment transport concept where we quantify aeolian sediment transport while quantifying the sediment availability rather than the more conventional (Bagnold, 1954) wind driven transport capacity. The concept is illustrated using field data. The field data is collected during a measurement campaign which has been designed to measure aeolian transport with special focus on sediment availability. Wind and sediment transport rates are measured on a beach for a period of 1 week. During this week onshore wind occurred allowing the analysis of aeolian transport across the beach towards the dunes. A total of 5 sediment transport gauges are dynamically placed over the cross section of the beach from locations in the intertidal zone (at low tide) until the dunefoot. The observations show that the amount of aeolian transport is very much dependent on the tidal phase. Low tides correspond to large aeolian transport and high tides to significantly lower aeolian transport across the beach. Wind conditions during the experiment were relatively constant implying that the specific variability in time of the measured aeolian transport is caused by variability with respect to the source rather than variability in wind conditions. Additional to this specific case, existing data of similar experiments (Arens, 1996) are analysed. Re-analysing this data, from experiments covering larger timespans, more evidence is found for

  18. Reduced Fast Ion Transport Model For The Tokamak Transport Code TRANSP

    SciTech Connect

    Podesta,, Mario; Gorelenkova, Marina; White, Roscoe

    2014-02-28

    Fast ion transport models presently implemented in the tokamak transport code TRANSP [R. J. Hawryluk, in Physics of Plasmas Close to Thermonuclear Conditions, CEC Brussels, 1 , 19 (1980)] are not capturing important aspects of the physics associated with resonant transport caused by instabilities such as Toroidal Alfv en Eigenmodes (TAEs). This work describes the implementation of a fast ion transport model consistent with the basic mechanisms of resonant mode-particle interaction. The model is formulated in terms of a probability distribution function for the particle's steps in phase space, which is consistent with the MonteCarlo approach used in TRANSP. The proposed model is based on the analysis of fast ion response to TAE modes through the ORBIT code [R. B. White et al., Phys. Fluids 27 , 2455 (1984)], but it can be generalized to higher frequency modes (e.g. Compressional and Global Alfv en Eigenmodes) and to other numerical codes or theories.

  19. Modeling oil weathering and transport in sea ice.

    PubMed

    Afenyo, Mawuli; Khan, Faisal; Veitch, Brian; Yang, Ming

    2016-06-15

    This paper presents a model of oil weathering and transport in sea ice. It contains a model formulation and scenario simulation to test the proposed model. The model formulation is based on state-of-the-art models for individual weathering and transport processes. The approach incorporates the dependency of weathering and transport processes on each other, as well as their simultaneous occurrence after an oil spill in sea ice. The model is calibrated with available experimental data. The experimental data and model prediction show close agreement. A sensitivity analysis is conducted to determine the most sensitive parameters in the model. The model is useful for contingency planning of a potential oil spill in sea ice. It is suitable for coupling with a level IV fugacity model, to estimate the concentration and persistence of hydrocarbons in air, ice, water and sediments for risk assessment purposes.

  20. Particle Tracking Model and Abstraction of Transport Processes

    SciTech Connect

    B. Robinson

    2004-10-21

    The purpose of this report is to document the abstraction model being used in total system performance assessment (TSPA) model calculations for radionuclide transport in the unsaturated zone (UZ). The UZ transport abstraction model uses the particle-tracking method that is incorporated into the finite element heat and mass model (FEHM) computer code (Zyvoloski et al. 1997 [DIRS 100615]) to simulate radionuclide transport in the UZ. This report outlines the assumptions, design, and testing of a model for calculating radionuclide transport in the UZ at Yucca Mountain. In addition, methods for determining and inputting transport parameters are outlined for use in the TSPA for license application (LA) analyses. Process-level transport model calculations are documented in another report for the UZ (BSC 2004 [DIRS 164500]). Three-dimensional, dual-permeability flow fields generated to characterize UZ flow (documented by BSC 2004 [DIRS 169861]; DTN: LB03023DSSCP9I.001 [DIRS 163044]) are converted to make them compatible with the FEHM code for use in this abstraction model. This report establishes the numerical method and demonstrates the use of the model that is intended to represent UZ transport in the TSPA-LA. Capability of the UZ barrier for retarding the transport is demonstrated in this report, and by the underlying process model (BSC 2004 [DIRS 164500]). The technical scope, content, and management of this report are described in the planning document ''Technical Work Plan for: Unsaturated Zone Transport Model Report Integration'' (BSC 2004 [DIRS 171282]). Deviations from the technical work plan (TWP) are noted within the text of this report, as appropriate. The latest version of this document is being prepared principally to correct parameter values found to be in error due to transcription errors, changes in source data that were not captured in the report, calculation errors, and errors in interpretation of source data.

  1. Uncertainty analyses of fuel hydrocarbon biodegradation signatures in ground water by probabilistic modeling

    SciTech Connect

    McNab, W.W. Jr.; Dooher, B.P.

    1998-07-01

    Natural attenuation processes, such as biodegradation, may serve as a means for remediating ground water contaminated by fuel hydrocarbons from leaking underground fuel tanks (LUFTs). Quantification of the uncertainties associated with natural attenuation, and hence the capacity to limit plume migration and restore an aquifer, is important. In this study, a probabilistic screening model is developed to quantify uncertainties involved in the impact of biodegradation on hydrocarbon plume behavior. The approach is based on Monte Carlo simulation using an analytical solution to the advective-dispersive solute transport equation, including a first-order degradation term, coupled with mass balance constraints on electron acceptor use. Empirical probability distributions for governing parameters are provided as input to the model. Application of the model to an existing LUFT site illustrates the degree of uncertainty associated with model-predicted hydrocarbon concentrations and geochemical indicators at individual site monitoring wells as well as the role of various parameter assumptions (e.g., hydraulic conductivity, first-order decay coefficient, source term) in influencing forecasts. This information is useful for risk management planning because the degree of confidence that biodegradation will limit the impact of a hydrocarbon plume on potential receptors can be quantified.

  2. Structural Design of Oligopeptides for Intestinal Transport Model.

    PubMed

    Hong, Seong-Min; Tanaka, Mitsuru; Koyanagi, Riho; Shen, Weilin; Matsui, Toshiro

    2016-03-16

    Glycyl-sarcosine (Gly-Sar) is a well-known model substrate for the intestinal uptake of dipeptides through peptide transporter 1 (PepT1). However, there are no other model peptides larger than tripeptides to evaluate their intestinal transport ability. In this study, we designed new oligopeptides based on the Gly-Sar structure in terms of protease resistance. Gly-Sar-Sar was found to be an appropriate transport model for tripeptides because it does not degrade during the transport across the rat intestinal membrane, while Gly-Gly-Sar was degraded to Gly-Sar during the 60 min transport. Caco-2 cell transport experiments revealed that the designed oligopeptides based on Gly-Sar-Sar showed a significantly (p < 0.05) lower transport ability by factors of 1/10-, 1/25-, and 1/40-fold for Gly-Sar-Sar, Gly-Sar-Sar-Sar, and Gly-Sar-Sar-Sar-Sar, respectively, compared to Gly-Sar (apparent permeability coefficient: 38.6 ± 11.4 cm/s). Cell experiments also showed that the designed tripeptide and Gly-Sar were transported across Caco-2 cell via PepT1, whereas the tetra- and pentapeptides were transported through the paracellular tight-junction pathway.

  3. 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

  4. Synchronizing production and air transportation scheduling using mathematical programming models

    NASA Astrophysics Data System (ADS)

    Zandieh, M.; Molla-Alizadeh-Zavardehi, S.

    2009-08-01

    Traditional scheduling problems assume that there are always infinitely many resources for delivering finished jobs to their destinations, and no time is needed for their transportation, so that finished products can be transported to customers without delay. So, for coordination of these two different activities in the implementation of a supply chain solution, we studied the problem of synchronizing production and air transportation scheduling using mathematical programming models. The overall problem is decomposed into two sub-problems, which consists of air transportation allocation problem and a single machine scheduling problem which they are considered together. We have taken into consideration different constraints and assumptions in our modeling such as special flights, delivery tardiness and no delivery tardiness. For these purposes, a variety of models have been proposed to minimize supply chain total cost which encompass transportation, makespan, delivery earliness tardiness and departure time earliness tardiness costs.

  5. Evaluation of Transport in the Lower Tropical Stratosphere in a Global Chemistry and Transport Model

    NASA Technical Reports Server (NTRS)

    Douglass, Anne R.; Schoeberl, Mark R.; Rood, Richard B.; Pawson, Steven

    2002-01-01

    A general circulation model (GCM) relies on various physical parameterizations and provides a solution to the atmospheric equations of motion. A data assimilation system (DAS) combines information from observations with a GCM forecast and produces analyzed meteorological fields that represent the observed atmospheric state. An off-line chemistry and transport model (CTM) can use winds and temperatures from a either a GCM or a DAS. The latter application is in common usage for interpretation of observations from various platforms under the assumption that the DAS transport represents the actual atmospheric transport. Here we compare the transport produced by a DAS with that produced by the particular GCM that is combined with observations to produce the analyzed fields. We focus on transport in the tropics and middle latitudes by comparing the age-of-air inferred from observations of SF6 and CO2 with the age-of-air calculated using GCM fields and DAS fields. We also compare observations of ozone, total reactive nitrogen, and methane with results from the two simulations. These comparisons show that DAS fields produce rapid upward tropical transport and excessive mixing between the tropics and middle latitudes. The unrealistic transport produced by the DAS fields may be due to implicit forcing that is required by the assimilation process when there is bias between the GCM forecast and observations that are combined to produce the analyzed fields. For example, the GCM does not produce a quasi-biennial oscillation (QBO). The QBO is present in the analyzed fields because it is present in the observations, and systematic implicit forcing is required by the DAS. Any systematic bias between observations and the GCM forecast used to produce the DAS analysis is likely to corrupt the transport produced by the analyzed fields. Evaluation of transport in the lower tropical stratosphere in a global chemistry and transport model.

  6. Keratin Dynamics: Modeling the Interplay between Turnover and Transport

    PubMed Central

    Portet, Stéphanie; Madzvamuse, Anotida; Chung, Andy; Leube, Rudolf E.; Windoffer, Reinhard

    2015-01-01

    Keratin are among the most abundant proteins in epithelial cells. Functions of the keratin network in cells are shaped by their dynamical organization. Using a collection of experimentally-driven mathematical models, different hypotheses for the turnover and transport of the keratin material in epithelial cells are tested. The interplay between turnover and transport and their effects on the keratin organization in cells are hence investigated by combining mathematical modeling and experimental data. Amongst the collection of mathematical models considered, a best model strongly supported by experimental data is identified. Fundamental to this approach is the fact that optimal parameter values associated with the best fit for each model are established. The best candidate among the best fits is characterized by the disassembly of the assembled keratin material in the perinuclear region and an active transport of the assembled keratin. Our study shows that an active transport of the assembled keratin is required to explain the experimentally observed keratin organization. PMID:25822661

  7. Modeling pollutant transport in the atmosphere boundary layer

    SciTech Connect

    O`Steen, B.L.

    1990-12-31

    The two basic methods for modeling the atmospheric transport of pollutants (diagnostic and prognostic) are examined along with the current models utilized at SRS for emergency response (WINDS). The ability of a limited-area (mesoscale) model, nested within a synoptic scale model, to represent a wide range of flow behavior, makes it the method of choice for predicting pollutant transport. Such a mesoscale model can provide an invaluable research tool and, with a periodic processing strategy for wind field calculation and/or sufficient computer capability, can be utilized in an emergency response capacity. Various models are compared.

  8. Modeling pollutant transport in the atmosphere boundary layer

    SciTech Connect

    O'Steen, B.L.

    1990-01-01

    The two basic methods for modeling the atmospheric transport of pollutants (diagnostic and prognostic) are examined along with the current models utilized at SRS for emergency response (WINDS). The ability of a limited-area (mesoscale) model, nested within a synoptic scale model, to represent a wide range of flow behavior, makes it the method of choice for predicting pollutant transport. Such a mesoscale model can provide an invaluable research tool and, with a periodic processing strategy for wind field calculation and/or sufficient computer capability, can be utilized in an emergency response capacity. Various models are compared.

  9. Using Transport Diagnostics to Understand Chemistry Climate Model Ozone Simulations

    NASA Technical Reports Server (NTRS)

    Strahan, S. E.; Douglass, A. R.; Stolarski, R. S.; Akiyoshi, H.; Bekki, S.; Braesicke, P.; Butchart, N.; Chipperfield, M. P.; Cugnet, D.; Dhomse, S.; Frith, S. M.; Gettleman, A.; Hardiman, S. C.; Kinnison, D. E.; Lamarque, J.-F.; Mancini, E.; Marchand, M.; Michou, M.; Morgenstern, O.; Nakamura, T.; Olivie, D.; Pawson, S.; Pitari, G.; Plummer, D. A.; Pyle, J. A.

    2010-01-01

    We demonstrate how observations of N2O and mean age in the tropical and midlatitude lower stratosphere (LS) can be used to identify realistic transport in models. The results are applied to 15 Chemistry Climate Models (CCMs) participating in the 2010 WMO assessment. Comparison of the observed and simulated N2O/mean age relationship identifies models with fast or slow circulations and reveals details of model ascent and tropical isolation. The use of this process-oriented N2O/mean age diagnostic identifies models with compensating transport deficiencies that produce fortuitous agreement with mean age. We compare the diagnosed model transport behavior with a model's ability to produce realistic LS O3 profiles in the tropics and midlatitudes. Models with the greatest tropical transport problems show the poorest agreement with observations. Models with the most realistic LS transport agree more closely with LS observations and each other. We incorporate the results of the chemistry evaluations in the SPARC CCMVal Report (2010) to explain the range of CCM predictions for the return-to-1980 dates for global (60 S-60 N) and Antarctic column ozone. Later (earlier) Antarctic return dates are generally correlated to higher (lower) vortex Cl(sub y) levels in the LS, and vortex Cl(sub y) is generally correlated with the model's circulation although model Cl(sub y) chemistry or Cl(sub y) conservation can have a significant effect. In both regions, models that have good LS transport produce a smaller range of predictions for the return-to-1980 ozone values. This study suggests that the current range of predicted return dates is unnecessarily large due to identifiable model transport deficiencies.

  10. Degradation of concrete-based barriers by Mg-containing brines: From laboratory experiments via reactive transport modelling to overall safety analysis in repository scale

    NASA Astrophysics Data System (ADS)

    Niemeyer, Matthias; Wilhelm, Stefan; Hagemann, Sven; Xie, Mingliang; Wollrath, Jürgen; Preuss, Jürgen

    2010-05-01

    initial hydraulic permeability and possibly on inhomogeneities like fractures and the hydraulic behaviour of the excavation damage zone (EDZ). Experimentally, the corrosion capacity of the brines to the concrete cannot be directly determined by throughflow experiments because the initial hydraulic permeability of the original building material is far too low. Instead, the decrease of magnesium, the main corroding agent in the brines, has been measured in cascade experiments with grounded cement mortar. The results of these experiments have been reproduced with geochemical modelling. However, those model calculations reveal that the stoichiometry of this reaction strongly depends on the assumptions about the relative stability of the potentially formed mineral phases, especially the various magnesium-silicate-hydrate-phases. As a pragmatic approach, the probability density function of the corrosion capacity has been estimated by stochastic calculations including the variation within a reasonable bandwidth of the chemical composition of each mortar components and the thermodynamic data of the critical mineral phases. Subsequently, the corrosion of the sealed access drifts in repository scale has been simulated by a reactive transport model, combining advective / dispersive transport and variable hydraulic permeability as function of the reaction progress. In the model, the chemistry of the corrosion process has been abstracted to one single equation. This allowed a fine discretisation - more than 10'000 nodes in an auto-adapting 2D-FE-mesh with axial symmetry. The parameter for the reaction rate was chosen on basis of experimental observations and turned out to be non-sensitive. The calculations show that the reaction zone is quite narrow - less than 5 m in a seal of 130 m length - as the reaction rate is much faster than the transport processes. With this model, the influence of a persistent EDZ in the host rock on the degradation of the hydraulic seal was studied

  11. Modelling aeolian sand transport using a dynamic mass balancing approach

    NASA Astrophysics Data System (ADS)

    Mayaud, Jerome R.; Bailey, Richard M.; Wiggs, Giles F. S.; Weaver, Corinne M.

    2017-03-01

    Knowledge of the changing rate of sediment flux in space and time is essential for quantifying surface erosion and deposition in desert landscapes. Whilst many aeolian studies have relied on time-averaged parameters such as wind velocity (U) and wind shear velocity (u*) to determine sediment flux, there is increasing field evidence that high-frequency turbulence is an important driving force behind the entrainment and transport of sand. At this scale of analysis, inertia in the saltation system causes changes in sediment transport to lag behind de/accelerations in flow. However, saltation inertia has yet to be incorporated into a functional sand transport model that can be used for predictive purposes. In this study, we present a new transport model that dynamically balances the sand mass being transported in the wind flow. The 'dynamic mass balance' (DMB) model we present accounts for high-frequency variations in the horizontal (u) component of wind flow, as saltation is most strongly associated with the positive u component of the wind. The performance of the DMB model is tested by fitting it to two field-derived (Namibia's Skeleton Coast) datasets of wind velocity and sediment transport: (i) a 10-min (10 Hz measurement resolution) dataset; (ii) a 2-h (1 Hz measurement resolution) dataset. The DMB model is shown to outperform two existing models that rely on time-averaged wind velocity data (e.g. Radok, 1977; Dong et al., 2003), when predicting sand transport over the two experiments. For all measurement averaging intervals presented in this study (10 Hz-10 min), the DMB model predicted total saltation count to within at least 0.48%, whereas the Radok and Dong models over- or underestimated total count by up to 5.50% and 20.53% respectively. The DMB model also produced more realistic (less 'peaky') time series of sand flux than the other two models, and a more accurate distribution of sand flux data. The best predictions of total sand transport are achieved using

  12. Boltzmann Transport in Hybrid PIC HET Modeling

    DTIC Science & Technology

    2015-07-01

    the device. Experimental measurements and computational simulations have consistently indicated that the electron transport perpendicular to the...plasma conditions experienced in HPHall. 1. Electron mobility in HET simulation The most widely used computational simulations of HETs, including HPHall...Figure 1: Cartoon schematic of anomalous electron trans- port regions in typical HET II. Computational setup As the stalwart HET simulation code in the EP

  13. Modeling atmospheric transport to the Marshall Islands

    NASA Astrophysics Data System (ADS)

    Merrill, John T.; Bleck, Rainer; Avila, Lixion

    1985-12-01

    Isentropic trajectory analyses are presented which support the hypothesis that atmospheric continental material found at Enewetak Atoll (11.3°N, 162.3°E) during the Sea-Air Exchange (SEAREX) experiments in 1979 had its origin primarily in Asia in the springtime (dry season experiment) and in North and Central America in the summer (wet season experiment). Fields of wind, Montgomery potential, and pressure on isentropic surfaces are obtained from global isobaric analyses by vertical interpolation. Trajectories backward in time from the area at and upwind of the experiment site were calculated using these fields. In April and May 1979 the atmospheric chemistry at Enewetak was influenced strongly by long-range transport from Asia; this transport was primarily in the potential temperature range 305-315 K with travel times of 8-13 days. Westerly winds over Asia at 350-600 mbar carry continental materials over the ocean, and as the air moves southward, subsidence occurs until the air is entrained in the trade wind flow. During July and August 1979 the transport paths were from open ocean areas and from near North and Central America at 305-310 K with travel times of 17-21 days. The trajectories remained at low levels within the boundary layer during this period. Also discussed is a meteorological analysis of dust storms in China, which shows that a mechanism exists for lifting eolian material to the upper troposphere. There is substantial uncertainty in the individual trajectories, and the factors limiting their accuracy are discussed. Given the consistency of the trajectory analyses with the chemical results, we now have a coherent picture of some of the processes responsible for long-range transport to the subtropical open ocean.

  14. Feedback network models for quantum transport

    NASA Astrophysics Data System (ADS)

    Gough, John

    2014-12-01

    Quantum feedback networks have been introduced in quantum optics as a framework for constructing arbitrary networks of quantum mechanical systems connected by unidirectional quantum optical fields, and has allowed for a system theoretic approach to open quantum optics systems. Our aim here is to establish a network theory for quantum transport systems where typically the mediating fields between systems are bidirectional. Mathematically, this leads us to study quantum feedback networks where fields arrive at ports in input-output pairs, making it a special case of the unidirectional theory where inputs and outputs are paired. However, it is conceptually important to develop this theory in the context of quantum transport theory—the resulting theory extends traditional approaches which tend to view the components in quantum transport as scatterers for the various fields, in the process allowing us to consider emission and absorption of field quanta by these components. The quantum feedback network theory is applicable to both Bose and Fermi fields, moreover, it applies to nonlinear dynamics for the component systems. We advance the general theory, but study the case of linear passive quantum components in some detail.

  15. Feedback network models for quantum transport.

    PubMed

    Gough, John

    2014-12-01

    Quantum feedback networks have been introduced in quantum optics as a framework for constructing arbitrary networks of quantum mechanical systems connected by unidirectional quantum optical fields, and has allowed for a system theoretic approach to open quantum optics systems. Our aim here is to establish a network theory for quantum transport systems where typically the mediating fields between systems are bidirectional. Mathematically, this leads us to study quantum feedback networks where fields arrive at ports in input-output pairs, making it a special case of the unidirectional theory where inputs and outputs are paired. However, it is conceptually important to develop this theory in the context of quantum transport theory-the resulting theory extends traditional approaches which tend to view the components in quantum transport as scatterers for the various fields, in the process allowing us to consider emission and absorption of field quanta by these components. The quantum feedback network theory is applicable to both Bose and Fermi fields, moreover, it applies to nonlinear dynamics for the component systems. We advance the general theory, but study the case of linear passive quantum components in some detail.

  16. Metal transport across biomembranes: emerging models for a distinct chemistry.

    PubMed

    Argüello, José M; Raimunda, Daniel; González-Guerrero, Manuel

    2012-04-20

    Transition metals are essential components of important biomolecules, and their homeostasis is central to many life processes. Transmembrane transporters are key elements controlling the distribution of metals in various compartments. However, due to their chemical properties, transition elements require transporters with different structural-functional characteristics from those of alkali and alkali earth ions. Emerging structural information and functional studies have revealed distinctive features of metal transport. Among these are the relevance of multifaceted events involving metal transfer among participating proteins, the importance of coordination geometry at transmembrane transport sites, and the presence of the largely irreversible steps associated with vectorial transport. Here, we discuss how these characteristics shape novel transition metal ion transport models.

  17. Highly parameterized inverse estimation of hydraulic conductivity and porosity in a three-dimensional, heterogeneous transport experiment

    NASA Astrophysics Data System (ADS)

    Yoon, Hongkyu; McKenna, Sean A.

    2012-10-01

    Assessing the impact of parameter estimation accuracy in models of heterogeneous, three-dimensional (3-D) groundwater systems is critical for predictions of solute transport. A unique experimental data set provides concentration breakthrough curves (BTCs) measured at a 0.253 cm3 scale over the 13 × 8 × 8 cm3 domain (˜53,000 measurement locations). Advective transport is used to match the first temporal moments of BTCs (or mean arrival times, m1) averaged at 0.253 and 1.0 cm3 scales through simultaneous inversion of highly parameterized heterogeneous hydraulic conductivity (K) and porosity (φ) fields. Pilot points parameterize the fields within eight layers of the 3-D medium, and estimations are completed with six different models of the K-φ relationship. Parameter estimation through advective transport shows accurate estimation of the observed m1 values. Results across the six different K-φ relationships have statistically similar fits to the observed m1 values and similar spatial estimates of m1 along the main flow direction. The resulting fields provide the basis for forward transport modeling of the advection-dispersion equation (ADE). Using the estimated K and φ fields demonstrates that advective transport coupled with inversion using dense spatial field parameterization provides an efficient surrogate for the ADE. These results indicate that there is not a single set of model parameters, or a single K-φ relationship, that leads to a best representation of the actual experimental sand packing pattern (i.e., nonuniqueness). Additionally, knowledge of the individual sand K and φ values along with their arrangement in the 3-D experiment does not reproduce the observed transport results at small scales. Small-scale variation in the packing and mixing of the sands causes large deviations from the expected transport results as highlighted in forward ADE simulations. Highly parameterized inverse estimation is able to identify those regions where variations in

  18. Electronic transport in VO{sub 2}—Experimentally calibrated Boltzmann transport modeling

    SciTech Connect

    Kinaci, Alper; Rosenmann, Daniel; Chan, Maria K. Y. E-mail: mchan@anl.gov; Kado, Motohisa; Ling, Chen; Zhu, Gaohua; Banerjee, Debasish E-mail: mchan@anl.gov

    2015-12-28

    Materials that undergo metal-insulator transitions (MITs) are under intense study, because the transition is scientifically fascinating and technologically promising for various applications. Among these materials, VO{sub 2} has served as a prototype due to its favorable transition temperature. While the physical underpinnings of the transition have been heavily investigated experimentally and computationally, quantitative modeling of electronic transport in the two phases has yet to be undertaken. In this work, we establish a density-functional-theory (DFT)-based approach with Hubbard U correction (DFT + U) to model electronic transport properties in VO{sub 2} in the semiconducting and metallic regimes, focusing on band transport using the Boltzmann transport equations. We synthesized high quality VO{sub 2} films and measured the transport quantities across the transition, in order to calibrate the free parameters in the model. We find that the experimental calibration of the Hubbard correction term can efficiently and adequately model the metallic and semiconducting phases, allowing for further computational design of MIT materials for desirable transport properties.

  19. Modeling multidomain hydraulic properties of shrink-swell soils

    NASA Astrophysics Data System (ADS)

    Stewart, Ryan D.; Abou Najm, Majdi R.; Rupp, David E.; Selker, John S.

    2016-10-01

    Shrink-swell soils crack and become compacted as they dry, changing properties such as bulk density and hydraulic conductivity. Multidomain models divide soil into independent realms that allow soil cracks to be incorporated into classical flow and transport models. Incongruously, most applications of multidomain models assume that the porosity distributions, bulk density, and effective saturated hydraulic conductivity of the soil are constant. This study builds on a recently derived soil shrinkage model to develop a new multidomain, dual-permeability model that can accurately predict variations in soil hydraulic properties due to dynamic changes in crack size and connectivity. The model only requires estimates of soil gravimetric water content and a minimal set of parameters, all of which can be determined using laboratory and/or field measurements. We apply the model to eight clayey soils, and demonstrate its ability to quantify variations in volumetric water content (as can be determined during measurement of a soil water characteristic curve) and transient saturated hydraulic conductivity, Ks (as can be measured using infiltration tests). The proposed model is able to capture observed variations in Ks of one to more than two orders of magnitude. In contrast, other dual-permeability models assume that Ks is constant, resulting in the potential for large error when predicting water movement through shrink-swell soils. Overall, the multidomain model presented here successfully quantifies fluctuations in the hydraulic properties of shrink-swell soil matrices, and are suitable for use in physical flow and transport models based on Darcy's Law, the Richards Equation, and the advection-dispersion equation.

  20. Modeling of active transmembrane transport in a mixture theory framework.

    PubMed

    Ateshian, Gerard A; Morrison, Barclay; Hung, Clark T

    2010-05-01

    This study formulates governing equations for active transport across semi-permeable membranes within the framework of the theory of mixtures. In mixture theory, which models the interactions of any number of fluid and solid constituents, a supply term appears in the conservation of linear momentum to describe momentum exchanges among the constituents. In past applications, this momentum supply was used to model frictional interactions only, thereby describing passive transport processes. In this study, it is shown that active transport processes, which impart momentum to solutes or solvent, may also be incorporated in this term. By projecting the equation of conservation of linear momentum along the normal to the membrane, a jump condition is formulated for the mechano-electrochemical potential of fluid constituents which is generally applicable to nonequilibrium processes involving active transport. The resulting relations are simple and easy to use, and address an important need in the membrane transport literature.

  1. Lagrangian Transport in a coupled Chemistry Climate Model

    NASA Astrophysics Data System (ADS)

    Hoppe, C.; Müller, R.; Günther, G.; Hoffmann, L.

    2012-04-01

    We describe the implementation of a Lagrangian transport core in a chemistry climate model (CCM). This is motivated by the problem that in many cases trace gas distributions in the stratosphere can not be represented properly in a classical Eulerian framework with a fixed model grid, especially in regions where strong trace gas gradients occur. Here, we focus on stratospheric water vapor, which is an important driver of surface climate change on decadal scales. In this case, the transport representation is particularly important in the tropical tropopause layer (TTL), where tropospheric air enters into the stratosphere, i.e. , where the entry level of stratospheric water vapor is determined. For this purpose, the Chemical Lagrangian Model of the Stratosphere (CLaMS) is coupled with the ECHAM/MESSy Atmospheric Chemistry Model (EMAC). The latter includes the ECHAM5 climate model, and a coupling interface, which allows for flexible coupling and switching between different submodels. The chemistry transport model CLaMS provides a full Lagrangian transport representation to calculate constituent transport on a set of air parcels that move along trajectories. In the Lagrangian frame of reference, different vertical velocity representations can be used to drive the trajectories: - kinematic transport in isobaric coordinates with omega as vertical velocity, - diabatic transport in isentropic coordinates, where thetadot calculated from diabatic heatingrates is used as vertical velocity. Since vertical winds in the statosphere derived with the kinematic method from the continuity equation often suffer from excessive numerical noise and errors, we expect that constituent transport using the diabatic method will improve the simulations of stratospheric water vapor. We will present preliminary results illustrating how the different transport representations influence simulated tracer distributions.

  2. Models of motor-assisted transport of intracellular particles.

    PubMed Central

    Smith, D A; Simmons, R M

    2001-01-01

    One-dimensional models are presented for the macroscopic intracellular transport of vesicles and organelles by molecular motors on a network of aligned intracellular filaments. A motor-coated vesicle or organelle is described as a diffusing particle binding intermittently to filaments, when it is transported at the motor velocity. Two models are treated in detail: 1) a unidirectional model, where only one kind of motor is operative and all filaments have the same polarity; and 2) a bidirectional model, in which filaments of both polarities exist (for example, a randomly polarized actin network for myosin motors) and/or particles have plus-end and minus-end motors operating on unipolar filaments (kinesin and dynein on microtubules). The unidirectional model provides net particle transport in the absence of a concentration gradient. A symmetric bidirectional model, with equal mixtures of filament polarities or plus-end and minus-end motors of the same characteristics, provides rapid transport down a concentration gradient and enhanced dispersion of particles from a point source by motor-assisted diffusion. Both models are studied in detail as a function of the diffusion constant and motor velocity of bound particles, and their rates of binding to and detachment from filaments. These models can form the basis of more realistic models for particle transport in axons, melanophores, and the dendritic arms of melanocytes, in which networks of actin filaments and microtubules coexist and motors for both types of filament are implicated. PMID:11159382

  3. Object-oriented data model of the municipal transportation

    NASA Astrophysics Data System (ADS)

    Pan, Yuqing; Sheng, Yehua; Zhang, Guiying

    2008-10-01

    The transportation problem is always one of main questions each big city all over the world faces. Managing the municipal transportation using GIS is becoming the important trend. And the data model is the transportation information system foundation. The organization and storage of the data must consider well in the system design. The data model not only needs to meet the demand that the transportation navigates, but also needs to achieve the good visual effects, also can carry on the management and the maintenance to the traffic information. According to the object-oriented theory and the method, the road is divided into segment, intersection. This paper analyzed the driveway, marking, sign and other transportation facilities and the relationship with the segment, intersection and constructed the municipal transportation data model which is adequate to the demand of vehicles navigation, visual and management. The paper also schemes the the all kinds of transportation data. The practice proves that this data model can satisfy the application demands of traffic management system.

  4. Uranium transport in a crushed granodiorite: Experiments and reactive transport modeling

    DOE PAGES

    Dittrich, T. M.; Reimus, P. W.

    2015-02-12

    The primary objective of this study was to develop and demonstrate an experimental method to refine and better parameterize process models for reactive contaminant transport in aqueous subsurface environments and to reduce conservatism in such models without attempting to fully describe the geochemical system.

  5. Fokker-Planck/Transport model for neutral beam driven tokamaks

    SciTech Connect

    Killeen, J.; Mirin, A.A.; McCoy, M.G.

    1980-01-01

    The application of nonlinear Fokker-Planck models to the study of beam-driven plasmas is briefly reviewed. This evolution of models has led to a Fokker-Planck/Transport (FPT) model for neutral-beam-driven Tokamaks, which is described in detail. The FPT code has been applied to the PLT, PDX, and TFTR Tokamaks, and some representative results are presented.

  6. Modeling the Geochemistry of Red Mountain Creek, Colorado, With Implications for Premining conditions

    NASA Astrophysics Data System (ADS)

    Runkel, R. L.; Kimball, B. A.; Walton-Day, K.; Verplanck, P. L.

    2004-12-01

    In August of 2002, a synoptic water-quality study was conducted on Red Mountain Creek, an acid mine drainage stream in southwestern Colorado. Data from the study were used to calibrate OTEQ, a reactive solute transport model for streams and small rivers. OTEQ is formed by coupling the OTIS solute transport model with a chemical equilibrium submodel. The submodel is based on MINTEQ, a model that calculates the distribution of aqueous species under chemical equilibrium. The coupled model considers a variety of processes including advection, dispersion, transient storage, transport and deposition of water-borne solid phases, acid/base reactions, complexation, precipitation/dissolution, and sorption. Application of OTEQ to the low-flow dataset from Red Mountain Creek suggests that surface-water sources account for observed changes in stream geochemistry and that most solutes are transported conservatively throughout the study reach. Mass balance calculations and simulation results indicate that four mining-related sources account for 83, 70, and 69 percent of the observed metal loading for aluminum, arsenic, and zinc, respectively. A hypothetical estimate of premining water quality is obtained by performing an additional simulation in which the the four mining-related sources are replaced with a source that represents natural background. Simulation results suggest improved water quality under premining conditions, with increased pH, lower metal concentrations, and non-conservative transport. Despite this hypothetical improvement, dissolved metal concentrations remain elevated and pH remains below 5.0. This finding supports the idea that Red Mountain Creek was acidic and metal-rich prior to mining.

  7. Transport lattice models of heat transport in skin with spatially heterogeneous, temperature-dependent perfusion

    PubMed Central

    Gowrishankar, TR; Stewart, Donald A; Martin, Gregory T; Weaver, James C

    2004-01-01

    Background Investigation of bioheat transfer problems requires the evaluation of temporal and spatial distributions of temperature. This class of problems has been traditionally addressed using the Pennes bioheat equation. Transport of heat by conduction, and by temperature-dependent, spatially heterogeneous blood perfusion is modeled here using a transport lattice approach. Methods We represent heat transport processes by using a lattice that represents the Pennes bioheat equation in perfused tissues, and diffusion in nonperfused regions. The three layer skin model has a nonperfused viable epidermis, and deeper regions of dermis and subcutaneous tissue with perfusion that is constant or temperature-dependent. Two cases are considered: (1) surface contact heating and (2) spatially distributed heating. The model is relevant to the prediction of the transient and steady state temperature rise for different methods of power deposition within the skin. Accumulated thermal damage is estimated by using an Arrhenius type rate equation at locations where viable tissue temperature exceeds 42°C. Prediction of spatial temperature distributions is also illustrated with a two-dimensional model of skin created from a histological image. Results The transport lattice approach was validated by comparison with an analytical solution for a slab with homogeneous thermal properties and spatially distributed uniform sink held at constant temperatures at the ends. For typical transcutaneous blood gas sensing conditions the estimated damage is small, even with prolonged skin contact to a 45°C surface. Spatial heterogeneity in skin thermal properties leads to a non-uniform temperature distribution during a 10 GHz electromagnetic field exposure. A realistic two-dimensional model of the skin shows that tissue heterogeneity does not lead to a significant local temperature increase when heated by a hot wire tip. Conclusions The heat transport system model of the skin was solved by

  8. Sand transport on Mars: Preliminary results from models

    NASA Technical Reports Server (NTRS)

    Greeley, R.; Anderson, F. S.; Blumberg, D.; Lo, E.; Xu, P.; Pollack, J.

    1993-01-01

    Most studies of active aeolian processes on Mars have focused on dust, i.e., particles approximately 1 micron in diameter that are transported in suspension by wind. The presence of sand dunes on Mars indicates that larger grains (approximately greater than 60 microns, transported primarily in saltation) are also present. Although indirect evidence suggests that some dunes may be active, definitive evidence is lacking. Nonetheless, numerous studies demonstrate that sand is substantially easier to transport by wind than dust, and it is reasonable to infer that sand transportation in saltation occurs under present Martian conditions. In order to assess potential source regions, transportation pathways, and sites of deposition for sand on Mars, an iterative sand transport algorithm was developed that is based on the Mars General Circulation Model of Pollack et al. The results of the dust transport model are then compared with observed surface features, such as dune field locations observed on images, and surficial deposits as inferred from Viking IRTM observations. Preliminary results suggest that the north polar dune fields in the vicinity of 270 degrees W, 70 degrees N originated from weathered polar layered plains centered at 280 degrees W, 85 degrees N, and that Thaumasia Fossae, southern Hellas Planitia, and the area west of Hellespontus Montes are sand depositional sites. Examples of transportation 'corridors' include a westward pathway in the latitudinal band 35 degrees N to 45 degrees N, and a pathway southward from Solis Planum to Thaumasia Fossae, among others.

  9. Stormwater biofilter treatment model (MPiRe) for selected micro-pollutants.

    PubMed

    Randelovic, Anja; Zhang, Kefeng; Jacimovic, Nenad; McCarthy, David; Deletic, Ana

    2016-02-01

    Biofiltration systems, also known as bioretentions or rain-gardens, are widely used for treatment of stormwater. In order to design them well, it is important to improve models that can predict their performance. This paper presents a rare model that can simulate removal of a wide range of micro-pollutants from stormwater by biofilters. The model is based on (1) a bucket approach for water flow simulation, and (2) advection/dispersion transport equations for pollutant transport and fate. The latter includes chemical non-equilibrium two-site model of sorption, first-order decay, and volatilization, thus is a compromise between the limited availability of data (on stormwater micro-pollutants) and the required complexity to accurately describe the nature of the phenomenon. The model was calibrated and independently validated on two field data series collected for different organic micro-pollutants at two biofilters of different design. This included data on triazines (atrazine, prometryn, and simazine), glyphosate, and chloroform during six simulated stormwater events. The data included variable and challenging biofilter operational conditions; e.g. variable inflow volumes, dry and wet period dynamics, and inflow pollutant concentrations. The model was able to simulate water flow well, with slight discrepancies being observed only during long dry periods when, presumably, soil cracking occurred. In general, the agreement between simulated and measured pollutographs was good. As with flows, the long dry periods posed a problem for water quality simulation (e.g. simazine and prometryn were difficult to model in low inflow events that followed prolonged dry periods). However, it was encouraging that pollutant transport and fate parameters estimated by the model calibration were in agreement with available literature data. This suggests that the model could probably be adopted for assessment of biofilter performance of other stormwater micro-pollutants (PAHs, phenols

  10. Numerical Simulations and Tracer Studies as a Tool to Support Water Circulation Modeling in Breeding Reservoirs

    NASA Astrophysics Data System (ADS)

    Zima, Piotr

    2014-12-01

    The article presents a proposal of a method for computer-aided design and analysis of breeding reservoirs in zoos and aquariums. The method applied involves the use of computer simulations of water circulation in breeding pools. A mathematical model of a pool was developed, and a tracer study was carried out. A simplified model of two-dimensional flow in the form of a biharmonic equation for the stream function (converted into components of the velocity vector) was adopted to describe the flow field. This equation, supplemented by appropriate boundary conditions, was solved numerically by the finite difference method. Next, a tracer migration equation was solved, which was a two-dimensional advection-dispersion equation describing the unsteady transport of a non-active, permanent solute. In order to obtain a proper solution, a tracer study (with rhodamine WT as a tracer) was conducted in situ. The results of these measurements were compared with numerical solutions obtained. The results of numerical simulations made it possible to reconstruct water circulation in the breading pool and to identify still water zones, where water circulation was impeded.

  11. 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

  12. Transport and Retention of Virus and Virus-sized Particle in a Variable-aperture Dolomite Rock Fracture under Unfavorable Attachment Conditions

    NASA Astrophysics Data System (ADS)

    Mondal, P. K.; Sleep, B. E.

    2010-12-01

    microspheres. The 0.02 and 0.2 µm microspheres were retained to a greater degree in the fracture than the 0.5 µm microspheres. In the cases of bacteriophages, retention increased with increased ionic strength and higher retention was observed for the smaller bacteriophage MS2 than the larger bacteriophage PR772. The presence of 1 mM calcium chloride increased the retention of both bacteriophages and microspheres significantly. The breakthrough data of microspheres could not be fit well with a one dimensional advection-dispersion transport model with a first order particle attachment term. Particle diffusion into the rock matrix/ micro-fissures connected to the fracture and preferential flow paths in the fracture likely contributed to the deviations from ideal one-dimensional transport behavior. Application of a three-dimensional flow model and advection-dispersion transport model incorporating matrix diffusion, colloid attachment/detachment, and decay are being conducted to provide a better understanding of the transport of viruses and virus sized particles in fractures.

  13. Neutron Transport Models and Methods for HZETRN and Coupling to Low Energy Light Ion Transport

    NASA Technical Reports Server (NTRS)

    Blattnig, S.R.; Slaba, T.C.; Heinbockel, J.H.

    2008-01-01

    Exposure estimates inside space vehicles, surface habitats, and high altitude aircraft exposed to space radiation are highly influenced by secondary neutron production. The deterministic transport code HZETRN has been identified as a reliable and efficient tool for such studies, but improvements to the underlying transport models and numerical methods are still necessary. In this paper, the forward-backward (FB) and directionally coupled forward-backward (DC) neutron transport models are derived, numerical methods for the FB model are reviewed, and a computationally efficient numerical solution is presented for the DC model. Both models are compared to the Monte Carlo codes HETCHEDS and FLUKA, and the DC model is shown to agree closely with the Monte Carlo results. Finally, it is found in the development of either model that the decoupling of low energy neutrons from the light ion (A<4) transport procedure adversely affects low energy light ion fluence spectra and exposure quantities. A first order correction is presented to resolve the problem, and it is shown to be both accurate and efficient.

  14. Use of transport models for wildfire behavior simulations

    SciTech Connect

    Linn, R.R.; Harlow, F.H.

    1998-01-01

    Investigators have attempted to describe the behavior of wildfires for over fifty years. Current models for numerical description are mainly algebraic and based on statistical or empirical ideas. The authors have developed a transport model called FIRETEC. The use of transport formulations connects the propagation rates to the full conservation equations for energy, momentum, species concentrations, mass, and turbulence. In this paper, highlights of the model formulation and results are described. The goal of the FIRETEC model is to describe most probable average behavior of wildfires in a wide variety of conditions. FIRETEC represents the essence of the combination of many small-scale processes without resolving each process in complete detail.

  15. Biogeochemical Transport and Reaction Model (BeTR) v1

    SciTech Connect

    TANG, JINYUN

    2016-04-18

    The Biogeochemical Transport and Reaction Model (BeTR) is a F90 code that enables reactive transport modeling in land modules of earth system models (e.g. CESM, ACME). The code adopts the Objective-Oriented-Design, and allows users to plug in their own biogeochemical (BGC) formulations/codes, and compare them to other existing BGC codes in those ESMs. The code takes information of soil physics variables, such as variables, such as temperature, moisture, soil density profile; water flow, etc., from a land model to track the movement of different chemicals in presence of biogeochemical reactions.

  16. Chemical Kinetic Modeling of Advanced Transportation Fuels

    SciTech Connect

    PItz, W J; Westbrook, C K; Herbinet, O

    2009-01-20

    Development of detailed chemical kinetic models for advanced petroleum-based and nonpetroleum based fuels is a difficult challenge because of the hundreds to thousands of different components in these fuels and because some of these fuels contain components that have not been considered in the past. It is important to develop detailed chemical kinetic models for these fuels since the models can be put into engine simulation codes used for optimizing engine design for maximum efficiency and minimal pollutant emissions. For example, these chemistry-enabled engine codes can be used to optimize combustion chamber shape and fuel injection timing. They also allow insight into how the composition of advanced petroleum-based and non-petroleum based fuels affect engine performance characteristics. Additionally, chemical kinetic models can be used separately to interpret important in-cylinder experimental data and gain insight into advanced engine combustion processes such as HCCI and lean burn engines. The objectives are: (1) Develop detailed chemical kinetic reaction models for components of advanced petroleum-based and non-petroleum based fuels. These fuels models include components from vegetable-oil-derived biodiesel, oil-sand derived fuel, alcohol fuels and other advanced bio-based and alternative fuels. (2) Develop detailed chemical kinetic reaction models for mixtures of non-petroleum and petroleum-based components to represent real fuels and lead to efficient reduced combustion models needed for engine modeling codes. (3) Characterize the role of fuel composition on efficiency and pollutant emissions from practical automotive engines.

  17. Modelling hillslope evolution: linear and nonlinear transport relations

    NASA Astrophysics Data System (ADS)

    Martin, Yvonne

    2000-08-01

    Many recent models of landscape evolution have used a diffusion relation to simulate hillslope transport. In this study, a linear diffusion equation for slow, quasi-continuous mass movement (e.g., creep), which is based on a large data compilation, is adopted in the hillslope model. Transport relations for rapid, episodic mass movements are based on an extensive data set covering a 40-yr period from the Queen Charlotte Islands, British Columbia. A hyperbolic tangent relation, in which transport increases nonlinearly with gradient above some threshold gradient, provided the best fit to the data. Model runs were undertaken for typical hillslope profiles found in small drainage basins in the Queen Charlotte Islands. Results, based on linear diffusivity values defined in the present study, are compared to results based on diffusivities used in earlier studies. Linear diffusivities, adopted in several earlier studies, generally did not provide adequate approximations of hillslope evolution. The nonlinear transport relation was tested and found to provide acceptable simulations of hillslope evolution. Weathering is introduced into the final set of model runs. The incorporation of weathering into the model decreases the rate of hillslope change when theoretical rates of sediment transport exceed sediment supply. The incorporation of weathering into the model is essential to ensuring that transport rates at high gradients obtained in the model reasonably replicate conditions observed in real landscapes. An outline of landscape progression is proposed based on model results. Hillslope change initially occurs at a rapid rate following events that result in oversteepened gradients (e.g., tectonic forcing, glaciation, fluvial undercutting). Steep gradients are eventually eliminated and hillslope transport is reduced significantly.

  18. Mathematical Model of Estuarial Sediment Transport.

    DTIC Science & Technology

    1977-10-01

    NUMBERS» Contract No. ^Ar DACW39-75-C-0080 ^^ 9. PERFORMING ORGANIZATION NAME AND ADDRESS Department of Civil Engineering...The original model, SEDIMENT I, was verified by comparison with measurements in a recirculating flume. The modified model, SEDIMENT II, developed for... organic matter from contiguous drainage areas, and waste materials. Clay minerals are hydrated aluminum silicates in a layer lattice crystal

  19. Transportation Sector Model of the National Energy Modeling System. Volume 2 -- Appendices: Part 1

    SciTech Connect

    1998-01-01

    This volume contains input data and parameters used in the model of the transportation sector of the National Energy Modeling System. The list of Transportation Sector Model variables includes parameters for the following: Light duty vehicle modules (fuel economy, regional sales, alternative fuel vehicles); Light duty vehicle stock modules; Light duty vehicle fleet module; Air travel module (demand model and fleet efficiency model); Freight transport module; Miscellaneous energy demand module; and Transportation emissions module. Also included in these appendices are: Light duty vehicle market classes; Maximum light duty vehicle market penetration parameters; Aircraft fleet efficiency model adjustment factors; and List of expected aircraft technology improvements.

  20. Cosmic-Ray Transport in Heliospheric Magnetic Structures. II. Modeling Particle Transport through Corotating Interaction Regions

    NASA Astrophysics Data System (ADS)

    Kopp, Andreas; Wiengarten, Tobias; Fichtner, Horst; Effenberger, Frederic; Kühl, Patrick; Heber, Bernd; Raath, Jan-Louis; Potgieter, Marius S.

    2017-03-01

    The transport of cosmic rays (CRs) in the heliosphere is determined by the properties of the solar wind plasma. The heliospheric plasma environment has been probed by spacecraft for decades and provides a unique opportunity for testing transport theories. Of particular interest for the three-dimensional (3D) heliospheric CR transport are structures such as corotating interaction regions (CIRs), which, due to the enhancement of the magnetic field strength and magnetic fluctuations within and due to the associated shocks as well as stream interfaces, do influence the CR diffusion and drift. In a three-fold series of papers, we investigate these effects by modeling inner-heliospheric solar wind conditions with the numerical magnetohydrodynamic (MHD) framework Cronos (Wiengarten et al., referred as Paper I), and the results serve as input to a transport code employing a stochastic differential equation approach (this paper). While, in Paper I, we presented results from 3D simulations with Cronos, the MHD output is now taken as an input to the CR transport modeling. We discuss the diffusion and drift behavior of Galactic cosmic rays using the example of different theories, and study the effects of CIRs on these transport processes. In particular, we point out the wide range of possible particle fluxes at a given point in space resulting from these different theories. The restriction of this variety by fitting the numerical results to spacecraft data will be the subject of the third paper of this series.

  1. Computer modeling of electron and proton transport in chloroplasts.

    PubMed

    Tikhonov, Alexander N; Vershubskii, Alexey V

    2014-07-01

    Photosynthesis is one of the most important biological processes in biosphere, which provides production of organic substances from atmospheric CO2 and water at expense of solar energy. In this review, we contemplate computer models of oxygenic photosynthesis in the context of feedback regulation of photosynthetic electron transport in chloroplasts, the energy-transducing organelles of the plant cell. We start with a brief overview of electron and proton transport processes in chloroplasts coupled to ATP synthesis and consider basic regulatory mechanisms of oxygenic photosynthesis. General approaches to computer simulation of photosynthetic processes are considered, including the random walk models of plastoquinone diffusion in thylakoid membranes and deterministic approach to modeling electron transport in chloroplasts based on the mass action law. Then we focus on a kinetic model of oxygenic photosynthesis that includes key stages of the linear electron transport, alternative pathways of electron transfer around photosystem I (PSI), transmembrane proton transport and ATP synthesis in chloroplasts. This model includes different regulatory processes: pH-dependent control of the intersystem electron transport, down-regulation of photosystem II (PSII) activity (non-photochemical quenching), the light-induced activation of the Bassham-Benson-Calvin (BBC) cycle. The model correctly describes pH-dependent feedback control of electron transport in chloroplasts and adequately reproduces a variety of experimental data on induction events observed under different experimental conditions in intact chloroplasts (variations of CO2 and O2 concentrations in atmosphere), including a complex kinetics of P700 (primary electron donor in PSI) photooxidation, CO2 consumption in the BBC cycle, and photorespiration. Finally, we describe diffusion-controlled photosynthetic processes in chloroplasts within the framework of the model that takes into account complex architecture of

  2. Biosorption of dichlorodiphenyltrichloroethane and hexachlorobenzene in groundwater and its implications for facilitated transport.

    PubMed Central

    Lindqvist, R; Enfield, C G

    1992-01-01

    The potential for enhanced mobility of hydrophobic pollutants by cotransport with bacteria in saturated soils was evaluated from measurements of biosorption of 14C-labeled hexachlorobenzene and dichlorodiphenyltrichloroethane (DDT) to five strains of soil and sewage bacteria. The sorption process could be described by a linear partition equation and appeared to be reversible, but desorption kinetics were slow and/or partly irreversible. The DDT partition coefficients varied with equilibration time, possibly reflecting DDT-induced changes in the physiology of the bacteria. The partition coefficients, normalized to the masses of the bacteria, ranged from 250 to 14,000 for live cells, but the largest coefficients were associated with autoclaved cells of a Pseudomonas sp. The sorptive capacity of the bacterial biomass was greater for DDT than for hexachlorobenzene but was not correlated to overall bacterial hydrophobicity, measured by hydrophobic interaction chromatography. In a column study, 1.2 x 10(9) cells of a Bacillus sp. strain per ml enhanced DDT transport about 8-fold, whereas an advective-dispersive-sorptive equilibrium model for two mobile phases, water and free-living bacteria, suggested a 14-fold enhancement, based on the DDT partition coefficient. The disagreement was in part due to a retarded nonequilibrium movement of the bacteria. Model calculations based on literature data covering a wide range of organisms and compounds suggested that 10(6) cells ml-1 would increase the mobility of very hydrophobic compounds (log octanol-water partition coefficient [K(ow) of greater than or equal to 6), whereas higher densities of bacteria (10(8) cells ml-1) would have a significant impact on compounds with a log K(ow) of greater than or equal to 4.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:1637158

  3. Modelling of human transplacental transport as performed in Copenhagen, Denmark.

    PubMed

    Mathiesen, Line; Mørck, Thit Aarøe; Zuri, Giuseppina; Andersen, Maria Helena; Pehrson, Caroline; Frederiksen, Marie; Mose, Tina; Rytting, Erik; Poulsen, Marie S; Nielsen, Jeanette K S; Knudsen, Lisbeth E

    2014-07-01

    Placenta perfusion models are very effective when studying the placental mechanisms in order to extrapolate to real-life situations. The models are most often used to investigate the transport of substances between mother and foetus, including the potential metabolism of these. We have studied the relationships between maternal and foetal exposures to various compounds including pollutants such as polychlorinated biphenyls, polybrominated flame retardants, nanoparticles as well as recombinant human antibodies. The compounds have been studied in the human placenta perfusion model and to some extent in vitro with an established human monolayer trophoblast cell culture model. Results from our studies distinguish placental transport of substances by physicochemical properties, adsorption to placental tissue, binding to transport and receptor proteins and metabolism. We have collected data from different classes of chemicals and nanoparticles for comparisons across chemical structures as well as different test systems. Our test systems are based on human material to bypass the extrapolation from animal data. By combining data from our two test systems, we are able to rank and compare the transport of different classes of substances according to their transport ability. Ultimately, human data including measurements in cord blood contribute to the study of placental transport.

  4. Entity-Centric Abstraction and Modeling Framework for Transportation Architectures

    NASA Technical Reports Server (NTRS)

    Lewe, Jung-Ho; DeLaurentis, Daniel A.; Mavris, Dimitri N.; Schrage, Daniel P.

    2007-01-01

    A comprehensive framework for representing transpportation architectures is presented. After discussing a series of preceding perspectives and formulations, the intellectual underpinning of the novel framework using an entity-centric abstraction of transportation is described. The entities include endogenous and exogenous factors and functional expressions are offered that relate these and their evolution. The end result is a Transportation Architecture Field which permits analysis of future concepts under the holistic perspective. A simulation model which stems from the framework is presented and exercised producing results which quantify improvements in air transportation due to advanced aircraft technologies. Finally, a modeling hypothesis and its accompanying criteria are proposed to test further use of the framework for evaluating new transportation solutions.

  5. Mathematical models for volume rendering and neutron transport

    SciTech Connect

    Max, N.

    1994-09-01

    This paper reviews several different models for light interaction with volume densities of absorbing, glowing, reflecting, or scattering material. They include absorption only, glow only, glow and absorption combined, single scattering of external illumination, and multiple scattering. The models are derived from differential equations, and illustrated on a data set representing a cloud. They are related to corresponding models in neutron transport. The multiple scattering model uses an efficient method to propagate the radiation which does not suffer from the ray effect.

  6. A MILP-Model for the Optimization of Transports

    NASA Astrophysics Data System (ADS)

    Björk, Kaj-Mikael

    2010-09-01

    This paper presents a work in developing a mathematical model for the optimization of transports. The decisions to be made are routing decisions, truck assignment and the determination of the pickup order for a set of loads and available trucks. The model presented takes these aspects into account simultaneously. The MILP model is implemented in the Microsoft Excel environment, utilizing the LP-solve freeware as the optimization engine and Visual Basic for Applications as the modeling interface.

  7. Dust mobilization and transport modeling for loss of vacuum accidents

    SciTech Connect

    P.W. Humrickhouse; J.P. Sharpe

    2007-10-01

    We develop a general continuum fluid dynamic model for dust transport in loss of vacuum accidents in fusion energy systems. The relationship between this general approach and established particle transport methods is clarified, in particular the relationship between the seemingly disparate treatments of aerosol dynamics and Lagrangian particle tracking. Constitutive equations for granular flow are found to be inadequate for prediction of mobilization, as these models essentially impose a condition of flow from the outset. Experiments confirm that at low shear, settled dust piles behave more like a continuum solid, and suitable solid models will be required to predict the onset of dust mobilization.

  8. 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...

  9. A transport model for prediction of wildfire behavior

    SciTech Connect

    Linn, R.R.

    1997-07-01

    Wildfires are a threat to human life and property, yet they are an unavoidable part of nature. In the past people have tried to predict wildfire behavior through the use of point functional models but have been unsuccessful at adequately predicting the gross behavior of the broad spectrum of fires that occur in nature. The majority of previous models do not have self-determining propagation rates. The author uses a transport approach to represent this complicated problem and produce a model that utilizes a self-determining propagation rate. The transport approach allows one to represent a large number of environments including transition regions such as those with nonhomogeneous vegetation and terrain. Some of the most difficult features to treat are the imperfectly known boundary conditions and the fine scale structure that is unresolvable, such as the specific location of the fuel or the precise incoming winds. The author accounts for the microscopic details of a fire with macroscopic resolution by dividing quantities into mean and fluctuating parts similar to what is done in traditional turbulence modelling. The author develops a complicated model that includes the transport of multiple gas species, such as oxygen and volatile hydrocarbons, and tracks the depletion of various fuels and other stationary solids and liquids. From this model the author also forms a simplified local burning model with which he performs a number of simulations for the purpose of demonstrating the properties of a self-determining transport-based wildfire model.

  10. A model for radionuclide transport in the Cooling Water System

    SciTech Connect

    Kahook, S.D.

    1992-08-01

    A radionuclide transport model developed to assess radiological levels in the K-reactor Cooling Water System (CWS) in the event of an inadvertent process water (PW) leakage to the cooling water (CW) in the heat exchangers (HX) is described. During and following a process water leak, the radionuclide transport model determines the time-dependent release rates of radionuclide from the cooling water system to the environment via evaporation to the atmosphere and blow-down to the Savannah River. The developed model allows for delay times associated with the transport of the cooling water radioactivity through cooling water system components. Additionally, this model simulates the time-dependent behavior of radionuclides levels in various CWS components. The developed model is incorporated into the K-reactor Cooling Tower Activity (KCTA) code. KCTA allows the accident (heat exchanger leak rate) and the cooling tower blow-down and evaporation rates to be described as time-dependent functions. Thus, the postulated leak and the consequence of the assumed leak can be modelled realistically. This model is the first of three models to be ultimately assembled to form a comprehensive Liquid Pathway Activity System (LPAS). LPAS will offer integrated formation, transport, deposition, and release estimates for radionuclides formed in a SRS facility. Process water and river water modules are forthcoming as input and downstream components, respectively, for KCTA.

  11. Upscaling Simple Models for Energetic Shelf Sediment Transport

    DTIC Science & Technology

    2003-09-30

    Wiberg and C. Reed, 2002. Coupled land-sea numerical sediment-transport models and the formation of shelf stratigraphy IAS/SEPM Environmental sedimentology ...841. Morehead, M.D., and J.P. Syvitski, 1999. River-plume sedimentation modeling for sequence stratigraphy : application to the Eel margin, northern

  12. Validation of 1-D transport and sawtooth models for ITER

    SciTech Connect

    Connor, J.W.; Turner, M.F.; Attenberger, S.E.; Houlberg, W.A.

    1996-12-31

    In this paper the authors describe progress on validating a number of local transport models by comparing their predictions with relevant experimental data from a range of tokamaks in the ITER profile database. This database, the testing procedure and results are discussed. In addition a model for sawtooth oscillations is used to investigate their effect in an ITER plasma with alpha-particles.

  13. A flexible numerical component to simulate surface runoff transport and biogeochemical processes through dense vegetation

    NASA Astrophysics Data System (ADS)

    Munoz-Carpena, R.; Perez-Ovilla, O.

    2012-12-01

    Methods to estimate surface runoff pollutant removal using dense vegetation buffers (i.e. vegetative filter strips) usually consider a limited number of factors (i.e. filter length, slope) and are in general based on empirical relationships. When an empirical approach is used, the application of the model is limited to those conditions of the data used for the regression equations. The objective of this work is to provide a flexible numerical mechanistic tool to simulate dynamics of a wide range of surface runoff pollutants through dense vegetation and their physical, chemical and biological interactions based on equations defined by the user as part of the model inputs. A flexible water quality model based on the Reaction Simulation Engine (RSE) modeling component is coupled to a transport module based on the traditional Bubnov -Galerkin finite element method to solve the advection-dispersion-reaction equation using the alternating split-operator technique. This coupled transport-reaction model is linked to the VFSMOD-W (http://abe.ufl.edu/carpena/vfsmod) program to mechanistically simulate mobile and stabile pollutants through dense vegetation based on user-defined conceptual models (differential equations written in XML language as input files). The key factors to consider in the creation of a conceptual model are the components in the buffer (i.e. vegetation, soil, sediments) and how the pollutant interacts with them. The biogeochemical reaction component was tested successfully with laboratory and field scale experiments. One of the major advantages when using this tool is that the pollutant transport and removal thought dense vegetation is related to physical and biogeochemical process occurring within the filter. This mechanistic approach increases the range of use of the model to a wide range of pollutants and conditions without modification of the core model. The strength of the model relies on the mechanistic approach used for simulating the removal of

  14. An integrated coastal model for aeolian and hydrodynamic sediment transport

    NASA Astrophysics Data System (ADS)

    Baart, F.; den Bieman, J.; van Koningsveld, M.; Luijendijk, A. P.; Parteli, E. J. R.; Plant, N. G.; Roelvink, J. A.; Storms, J. E. A.; de Vries, S.; van Thiel de Vries, J. S. M.; Ye, Q.

    2012-04-01

    Dunes are formed by aeolian and hydrodynamic processes. Over the last decades numerical models were developed that capture our knowledge of the hydrodynamic transport of sediment near the coast. At the same time others have worked on creating numerical models for aeolian-based transport. Here we show a coastal model that integrates three existing numerical models into one online-coupled system. The XBeach model simulates storm-induced erosion (Roelvink et al., 2009). The Delft3D model (Lesser et al., 2004) is used for long term morphology and the Dune model (Durán et al., 2010) is used to simulate the aeolian transport. These three models were adapted to be able to exchange bed updates in real time. The updated models were integrated using the ESMF framework (Hill et al., 2004), a system for composing coupled modeling systems. The goal of this integrated model is to capture the relevant coastal processes at different time and spatial scales. Aeolian transport can be relevant during storms when the strong winds are generating new dunes, but also under relative mild conditions when the dunes are strengthened by transporting sand from the intertidal area to the dunes. Hydrodynamic transport is also relevant during storms, when high water in combination with waves can cause dunes to avalanche and erode. While under normal conditions the hydrodynamic transport can result in an onshore transport of sediment up to the intertidal area. The exchange of sediment in the intertidal area is a dynamic interaction between the hydrodynamic transport and the aeolian transport. This dynamic interaction is particularly important for simulating dune evolution at timescales longer than individual storm events. The main contribution of the integrated model is that it simulates the dynamic exchange of sediment between aeolian and hydrodynamic models in the intertidal area. By integrating the numerical models, we hope to develop a model that has a broader scope and applicability than

  15. Modeling of far SOL plasma transport in NSTX

    SciTech Connect

    Sergei Krasheninnikov; Alexander Pigarov

    2005-11-02

    For better understanding and characterization of non-diffusive transport occurring in the NSTX tokamak edge plasma, we performed extensive simulations of NSTX edge plasmas with the multi-fluid two-dimensional UEDGE code by using realistic model for impurity sputtering sources and hybrid model for anomalous cross-field transport. Our cross-field transport model incorporates the effects of non-diffusive intermittent transport by introducing anomalous convective velocities whose spatial profile is adjusted for each ion charge state to match available experimental data. The research in 2002-2005 financial years was focused on the following areas: (i) development of capabilities for UEDGE simulation of NSTX spectroscopy data (i.e., the 3D real-geometry postprocessor UEDGE tools for comparison between UEDGE and experimental data), (ii) simulation of multi-diagnostic data from NSTX with UEDGE, (iii) study of anomalous cross-field convective transport of impurity ions, (iv) analysis of divertor plasma opacity to resonance radiation, and (v) study the effects of ballooning-like anomalous cross-field transport and spherical-torus magnetic configuration on parallel plasma flows in the SOL.

  16. Oil spill modeling in the southeastern Mediterranean Sea in support of accelerated offshore oil and gas exploration

    NASA Astrophysics Data System (ADS)

    Brenner, Steve

    2015-12-01

    Since the discovery of major reserves in the Israeli exclusive economic zone (EEZ) 6 years ago, exploration and drilling for natural gas and oil have proceeded at an accelerated pace. As part of the licensing procedure for drilling, an environmental impact assessment and an emergency response plan must be presented to the authorities, which include several prespecified oil spill simulations. In this study, the MEDSLIK oil spill model has been applied for this purpose. The model accounts for time-dependent advection, dispersion, and physiochemical weathering of the surface slick. It is driven by currents produced by high-resolution dynamic downscaling of ocean reanalysis data and winds extracted from global atmospheric analyses. Worst case scenarios based on 30-day well blowouts under four sets of environmental conditions were simulated for wells located at 140, 70, and 20 km off the coast of central Israel. For the well furthest from the coast, the amount of oil remaining in the surface slick always exceeds the amount deposited on the coast. For the mid-distance well, the cases were evenly split. For the well closest to the coast, coastal deposition always exceeds the oil remaining in the slick. Additional simulations with the wind switched off helped highlight the importance of the wind in evaporation of the oil and in transporting the slick toward the southeastern coast.

  17. Second-order modeling of arsenite transport in soils

    NASA Astrophysics Data System (ADS)

    Zhang, Hua; Magdi Selim, H.

    2011-11-01

    Rate limited processes including kinetic adsorption-desorption can greatly impact the fate and behavior of toxic arsenic compounds in heterogeneous soils. In this study, miscible displacement column experiments were carried out to investigate the extent of reactivity during transport of arsenite in soils. Arsenite breakthrough curves (BTCs) of Olivier and Windsor soils exhibited strong retardation with diffusive effluent fronts followed by slow release or tailing during leaching. Such behavior is indicative of the dominance of kinetic retention reactions for arsenite transport in the soil columns. Sharp decrease or increase in arsenite concentration in response to flow interruptions (stop-flow) further verified that non-equilibrium conditions are dominant. After some 40-60 pore volumes of continued leaching, 30-70% of the applied arsenite was retained by the soil in the columns. Furthermore, continued arsenite slow release for months was evident by the high levels of residual arsenite concentrations observed during leaching. In contrast, arsenite transport in a reference sand material exhibited no retention where complete mass recovery in the effluent solution was attained. A second-order model (SOM) which accounts for equilibrium, reversible, and irreversible retention mechanisms was utilized to describe arsenite transport results from the soil columns. Based on inverse and predictive modeling results, the SOM model successfully depicted arsenite BTCs from several soil columns. Based on inverse and predictive modeling results, a second-order model which accounts for kinetic reversible and irreversible reactions is recommended for describing arsenite transport in soils.

  18. Natural attenuation model and biodegradation for 1,1,1-trichloroethane contaminant in shallow groundwater

    PubMed Central

    Lu, Qiang; Zhu, Rui-Li; Yang, Jie; Li, Hui; Liu, Yong-Di; Lu, Shu-Guang; Luo, Qi-Shi; Lin, Kuang-Fei

    2015-01-01

    Natural attenuation is an effective and feasible technology for controlling groundwater contamination. This study investigated the potential effectiveness and mechanisms of natural attenuation of 1,1,1-trichloroethane (TCA) contaminants in shallow groundwater in Shanghai by using a column simulation experiment, reactive transport model, and 16S rRNA gene clone library. The results indicated that the majority of the contaminant mass was present at 2–6 m in depth, the contaminated area was approximately 1000 m × 1000 m, and natural attenuation processes were occurring at the site. The effluent breakthrough curves from the column experiments demonstrated that the effectiveness of TCA natural attenuation in the groundwater accorded with the advection-dispersion-reaction equation. The kinetic parameter of adsorption and biotic dehydrochlorination of TCA was 0.068 m3/kg and 0.0045 d–1. The contamination plume was predicted to diminish and the maximum concentration of TCA decreased to 280 μg/L. The bacterial community during TCA degradation in groundwater belonged to Trichococcus, Geobacteraceae, Geobacter, Mucilaginibacter, and Arthrobacter. PMID:26379629

  19. 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.

  20. Assessment of parametric uncertainty for groundwater reactive transport modeling,

    USGS Publications Warehouse

    Shi, Xiaoqing; Ye, Ming; Curtis, Gary P.; Miller, Geoffery L.; Meyer, Philip D.; Kohler, Matthias; Yabusaki, Steve; Wu, Jichun

    2014-01-01

    The validity of using Gaussian assumptions for model residuals in uncertainty quantification of a groundwater reactive transport model was evaluated in this study. Least squares regression methods explicitly assume Gaussian residuals, and the assumption leads to Gaussian likelihood functions, model parameters, and model predictions. While the Bayesian methods do not explicitly require the Gaussian assumption, Gaussian residuals are widely used. This paper shows that the residuals of the reactive transport model are non-Gaussian, heteroscedastic, and correlated in time; characterizing them requires using a generalized likelihood function such as the formal generalized likelihood function developed by Schoups and Vrugt (2010). For the surface complexation model considered in this study for simulating uranium reactive transport in groundwater, parametric uncertainty is quantified using the least squares regression methods and Bayesian methods with both Gaussian and formal generalized likelihood functions. While the least squares methods and Bayesian methods with Gaussian likelihood function produce similar Gaussian parameter distributions, the parameter distributions of Bayesian uncertainty quantification using the formal generalized likelihood function are non-Gaussian. In addition, predictive performance of formal generalized likelihood function is superior to that of least squares regression and Bayesian methods with Gaussian likelihood function. The Bayesian uncertainty quantification is conducted using the differential evolution adaptive metropolis (DREAM(zs)) algorithm; as a Markov chain Monte Carlo (MCMC) method, it is a robust tool for quantifying uncertainty in groundwater reactive transport models. For the surface complexation model, the regression-based local sensitivity analysis and Morris- and DREAM(ZS)-based global sensitivity analysis yield almost identical ranking of parameter importance. The uncertainty analysis may help select appropriate likelihood

  1. EVALUATING THE SENSITIVITY OF A SUBSURFACE MULTICOMPONENT REACTIVE TRANSPORT MODEL WITH RESPECT TO TRANSPORT AND REACTION PARAMETERS

    EPA Science Inventory

    The input variables for a numerical model of reactive solute transport in groundwater include both transport parameters, such as hydraulic conductivity and infiltration, and reaction parameters that describe the important chemical and biological processes in the system. These pa...

  2. Modeling of patient's blood pressure variation during ambulance transportation

    NASA Astrophysics Data System (ADS)

    Sakatani, Kenji; Ono, Takahiko; Kobayasi, Yasuhide; Hikita, Shinichi; Saito, Mitsuyuki

    2007-12-01

    In an emergency transportation by ambulance, a patient is transported in a supine position. In this position, a patient's blood pressure (BP) variation depending on an inertial force which occurs when an ambulance accelerates or decelerates. This BP variation causes a critical damage for a patent with brain disorder. In order to keep a patient stable during transportation, it is required to maintain small BP variation. To analyze the BP variation during transportation, a model of the BP variation has so far been made. But, it can estimate the BP variation only in braking. The purpose of this paper is to make a dynamical model of the BP variation which can simulate it in both braking and accelerating. First, to obtain the data to construct the model, we used a tilting bed to measure a head-to-foot acceleration and BP of fingertip. Based on this data, we build a mathematical model whose input is the head-to-foot acceleration and output is the Mean BP variation. It is a switched model which switches two models depending on the jerk. We add baroreceptor reflex to the model as a offset value.

  3. Modeling transport and aggregation of volcanic ash particles

    NASA Astrophysics Data System (ADS)

    Costa, Antonio; Folch, Arnau; Macedonio, Giovanni; Durant, Adam

    2010-05-01

    A complete description of ash aggregation processes in volcanic clouds is an very arduous task and the full coupling of ash transport and ash aggregation models is still computationally prohibitive. A large fraction of fine ash injected in the atmosphere during explosive eruptions aggregate because of complex interactions of surface liquid layers, electrostatic forces, and differences in settling velocities. The formation of aggregates of size and density different from those of the primary particles dramatically changes the sedimentation dynamics and results in lower atmospheric residence times of ash particles and in the formation of secondary maxima of tephra deposit. Volcanic ash transport models should include a full aggregation model accounting for all particle class interaction. However this approach would require prohibitive computational times. Here we present a simplified model for wet aggregation that accounts for both atmospheric and volcanic water transport. The aggregation model assumes a fractal relationship for the number of primary particles in aggregates, average efficiencies factors, and collision frequency functions accounting for Brownian motion, laminar and turbulent fluid shear, and differential settling velocity. We implemented the aggregation model in the WRF+FALL3D coupled modelling system and applied it to different eruptions where aggregation has been recognized to play an important role, such as the August and September 1992 Crater Peak eruptions and the 1980 Mt St Helens eruption. Moreover, understanding aggregation processes in volcanic clouds will contribute to mitigate the risks related with volcanic ash transport and sedimentation.

  4. VIRTUS, a model of virus transport in unsaturated soils.

    PubMed Central

    Yates, M V; Ouyang, Y

    1992-01-01

    As a result of the recently proposed mandatory groundwater disinfection requirements to inactivate viruses in potable water supplies, there has been increasing interest in virus fate and transport in the subsurface. Several models have been developed to predict the fate of viruses in groundwater, but few include transport in the unsaturated zone and all require a constant virus inactivation rate. These are serious limitations in the models, as it has been well documented that considerable virus removal occurs in the unsaturated zone and that the inactivation rate of viruses is dependent on environmental conditions. The purpose of this research was to develop a predictive model of virus fate and transport in unsaturated soils that allows the virus inactivation rate to vary on the basis of changes in soil temperature. The model was developed on the basis of the law of mass conservation of a contaminant in porous media and couples the flows of water, viruses, and heat through the soil. Model predictions were compared with measured data of virus transport in laboratory column studies and, with the exception of one point, were within the 95% confidence limits of the measured concentrations. The model should be a useful tool for anyone wishing to estimate the number of viruses entering groundwater after traveling through the soil from a contamination source. In addition, model simulations were performed to identify parameters that have a large effect on the results. This information can be used to help design experiments so that important variables are measured accurately. PMID:1622230

  5. Simple Models for Surfzone Sediment Transport.

    DTIC Science & Technology

    1985-12-01

    conditions as detailed in Bakker (1968), Bakker et al. (1970), and LeMehaute and Soldate (1977). 6 2. 2. °.. d .- .. rd Multiple line models, depicting two...diffraction is also important in the vicinity of the groin. Lefehaute and Soldate (1980) and Kraus and Harikai (1983) have developed methods for incorpo...eventually becomes so large that the waves break. Following the development of LeMehaute and Soldate (1980), the breaker height and breaker angle are

  6. Sediment Transport Model In Sayung District, Demak

    NASA Astrophysics Data System (ADS)

    Ismanto, Aris; Zainuri, Muhammad; Hutabarat, Sahala; Nugroho Sugianto, Denny; Widada, Sugeng; Wirasatriya, Anindya

    2017-02-01

    Demak has 34,1 km coastline and located in 6043‧26″ - 7009‧43″ South Latitude and 110027‧58″ - 110048‧47″ East Longitude. In the last few years rapid shoreline and erosion has threatened Demak coastal area. No less than 3000 villages on Java suffer similar problems. Hard structures such as dykes and breakwaters is one of the method that is commonly used to solve this problem. However, this method may fail to provide adequate protection to the environment and become counterproductive. One of the alternative to solve the problem is using hybrid engineering concept. This study aims is to assess the distribution model of the sediment on the application of technology as a hybrid structure for the mitigationand rehabilitation of coastal areas in Demak. This research using quantitative method, including field surveys and mathematical modeling methods. The model show that the sedimention is quite big in highest flood condition and must have the right structure for the hybrid engineering. This study is expected to answer the question of the erosion problem in the District Sayung, Demak.

  7. Quantum transport in RTD and atomistic modeling of nanostructures

    NASA Astrophysics Data System (ADS)

    Jiang, Zhengping

    As devices are scaled down to nanometer scale, new materials and device structures are introduced to extend Moore's law beyond Si devices. In this length scale, carrier transport moves from classical transport to quantum transport; material granularity has more and more impacts on performance. Computer Aided Design (CAD) becomes essential for both industrial and educational purposes. First part focuses on physical models and numerical issues in nano-scale devices modeling. Resonance Tunneling Diode (RTD) is simulated and used to illustrate phenomena in carrier transport. Non-Equilibrium Green's Function (NEGF) formulism is employed in quantum transport simulation. Inhomogeneous energy grid is used in energy integration, which is critical to capture essential physics in RTD simulation. All simulation results could be reproduced by developed simulators RTDNEGF and NEMO5. In nanostructures, device length becomes comparable to material granularity; it is not proper to consider materials as continuous in many situations. Second part of this work resolves this problem by introducing atomistic modeling method. Valley degeneracy in Si (110) QW is investigated. Inconsistency of experimental observations is resolved by introducing miscut in surface. Impacts of strain and electric field on electronic bandstructure are studied. Research of SiGe barrier disorder effects on valley splitting in Si (100) QW is then conducted. Behaviors of valley splitting in different well widths under electric field are predicted by atomistic simulation. Nearest neighbor empirical tight-binding method is used in electronic calculation and VFF Keating model is used in strain relaxation.

  8. Modeling transport and deposition of the Mekong River sediment

    USGS Publications Warehouse

    Xue, Zuo; He, Ruoying; Liu, J. Paul; Warner, John C.

    2012-01-01

    A Coupled Wave–Ocean–SedimentTransport Model was used to hindcast coastal circulation and fine sedimenttransport on the Mekong shelf in southeastern Asian in 2005. Comparisons with limited observations showed that the model simulation captured the regional patterns and temporal variability of surface wave, sea level, and suspended sediment concentration reasonably well. Significant seasonality in sedimenttransport was revealed. In summer, a large amount of fluvial sediments was delivered and deposited near the MekongRiver mouth. In the following winter, strong ocean mixing, and coastal current lead to resuspension and southwestward dispersal of a small fraction of previously deposited sediments. Model sensitivity experiments (with reduced physics) were performed to investigate the impact of tides, waves, and remotely forced ambient currents on the transport and dispersal of the fluvial sediment. Strong wave mixing and downwelling-favorable coastal current associated with the more energetic northeast monsoon in the winter season are the main factors controlling the southwestward along-shelf transport.

  9. Catalog of selected heavy duty transport energy management models

    NASA Technical Reports Server (NTRS)

    Colello, R. G.; Boghani, A. B.; Gardella, N. C.; Gott, P. G.; Lee, W. D.; Pollak, E. C.; Teagan, W. P.; Thomas, R. G.; Snyder, C. M.; Wilson, R. P., Jr.

    1983-01-01

    A catalog of energy management models for heavy duty transport systems powered by diesel engines is presented. The catalog results from a literature survey, supplemented by telephone interviews and mailed questionnaires to discover the major computer models currently used in the transportation industry in the following categories: heavy duty transport systems, which consist of highway (vehicle simulation), marine (ship simulation), rail (locomotive simulation), and pipeline (pumping station simulation); and heavy duty diesel engines, which involve models that match the intake/exhaust system to the engine, fuel efficiency, emissions, combustion chamber shape, fuel injection system, heat transfer, intake/exhaust system, operating performance, and waste heat utilization devices, i.e., turbocharger, bottoming cycle.

  10. From divots to swales: Hillslope sediment transport across divers length scales

    NASA Astrophysics Data System (ADS)

    Furbish, David Jon; Haff, Peter K.

    2010-09-01

    In soil-mantled steeplands, soil motions associated with creep, ravel, rain splash, soil slips, tree throw, and rodent activity are patchy and intermittent and involve widely varying travel distances. To describe the collective effect of these motions, we formulate a nonlocal expression for the soil flux. This probabilistic formulation involves upslope and downslope convolutions of land surface geometry to characterize motions in both directions, notably accommodating the bidirectional dispersal of material on gentle slopes as well as mostly downslope dispersal on steeper slopes, and it distinguishes between the mobilization of soil material and the effect of surface slope in giving a downslope bias to the dispersal of mobilized material. The formulation separates dispersal associated with intermittent surface motions from the slower bulk behavior associated with small-scale bioturbation and similar dilational processes operating mostly within the soil column. With a uniform rate of mobilization of soil material, the nearly parabolic form of a hillslope profile at steady state resembles a diffusive behavior. With a slope-dependent rate of mobilization, the steady state hillslope profile takes on a nonparabolic form where land surface elevation varies with downslope distance x as xa with a ˜ 3/2, consistent with field observations and where the flux increases nonlinearly with increasing slope. The convolution description of the soil flux, when substituted into a suitable expression of conservation, yields a nonlinear Fokker-Planck equation and can be mapped to discrete particle models of hillslope behavior and descriptions of soil-grain transport by rain splash as a stochastic advection-dispersion process.

  11. Biogeochemical and hydrological processes controlling the transport and fate of 1,2-dibromoethane (EDB) in soil and ground water, central Florida

    USGS Publications Warehouse

    Katz, Brian G.

    1993-01-01

    Widespread contamination of ground water in central Florida by 1,2-dibromoethane (EDB) has resulted because of its heavy usage as a soil fumigant during a 20-year period, its relatively high aqueous solubility, and the low sorption capacity of the highly permeable sandy soils lacking organic matter. Two models were used to improve understanding of biogeochemical and hydrological processes that control the transport and fate of EDB in soil and ground water. First, a mass-balance model was developed to estimate the max-imum concentration of EDB in ground water resulting from known application rates of EDB. Key processes that were quantified in the model included volatilization, diffusion of EDB vapor in soils, partitioning between aqueous and gaseous phases, sorption of EDB vapor on organic carbon and soil particles, chemical and biological degradation reactions, and nonreversible binding of EDB to soils. Model calculations using an EDB half-life of 0.65 year closely reproduced the maximum observed concentrations in ground water, 37 and 0.22 micrograms per liter, at downgradient sites in two study areas in central Florida. Maximum concentrations of EDB in ground water also were estimated in a second model that incorporated an analytical solution to the three-dimensional advection-dispersion equation for instantaneous point sources of EDB entering the flow systems in the two study areas. The model used an EDB half-life of 0.65 year (obtained from the mass-balance calculations), mean ground-water flow velocities of 0.6 to 1 meter per day, coefficients of longitudinal hydro-dynamic dispersion of 0.6 to 1.0 square meter per day, and coefficients of transverse hydrodynamic dispersion of 0.1 square meter per day. Peak concentrations of EDB in ground water calculated from the analytical model agreed closely with observed peak concentrations measured from 1983 through 1987.

  12. Physics models in the toroidal transport code PROCTR

    SciTech Connect

    Howe, H.C.

    1990-08-01

    The physics models that are contained in the toroidal transport code PROCTR are described in detail. Time- and space-dependent models are included for the plasma hydrogenic-ion, helium, and impurity densities, the electron and ion temperatures, the toroidal rotation velocity, and the toroidal current profile. Time- and depth-dependent models for the trapped and mobile hydrogenic particle concentrations in the wall and a time-dependent point model for the number of particles in the limiter are also included. Time-dependent models for neutral particle transport, neutral beam deposition and thermalization, fusion heating, impurity radiation, pellet injection, and the radial electric potential are included and recalculated periodically as the time-dependent models evolve. The plasma solution is obtained either in simple flux coordinates, where the radial shift of each elliptical, toroidal flux surface is included to maintain an approximate pressure equilibrium, or in general three-dimensional torsatron coordinates represented by series of helical harmonics. The detailed coupling of the plasma, scrape-off layer, limiter, and wall models through the neutral transport model makes PROCTR especially suited for modeling of recycling and particle control in toroidal plasmas. The model may also be used in a steady-state profile analysis mode for studying energy and particle balances starting with measured plasma profiles.

  13. Modelling vapour transport in Surtseyan bombs

    NASA Astrophysics Data System (ADS)

    McGuinness, Mark J.; Greenbank, Emma; Schipper, C. Ian

    2016-05-01

    We address questions that arise if a slurry containing liquid water is enclosed in a ball of hot viscous vesicular magma ejected as a bomb in the context of a Surtseyan eruption. We derive a mathematical model for transient changes in temperature and pressure due to flashing of liquid water to vapour inside the bomb. The magnitude of the transient pressure changes that are typically generated are calculated together with their dependence on material properties. A single criterion to determine whether the bomb will fragment as a result of the pressure changes is derived. Timescales for ejection of water vapour from a bomb that remains intact are also revealed.

  14. Enhancements to the Branched Lagrangian Transport Modeling System

    USGS Publications Warehouse

    Jobson, Harvey E.

    1997-01-01

    The Branched Lagrangian Transport Model (BLTM) has received wide use within the U.S. Geological Survey over the past 10 years. This report documents the enhancements and modifications that have been made to this modeling system since it was first introduced. The programs in the modeling system are arranged into five levels?programs to generate time-series of meteorological data (EQULTMP, SOLAR), programs to process time-series data (INTRP, MRG), programs to build input files for transport model (BBLTM, BQUAL2E), the model with defined reaction kinetics (BLTM, QUAL2E), and post processor plotting programs (CTPLT, CXPLT). An example application is presented to illustrate how the modeling system can be used to simulate 10 water-quality constituents in the Chattahoochee River below Atlanta, Georgia.

  15. Flavonoid metabolites transport across a human BBB model.

    PubMed

    Faria, Ana; Meireles, Manuela; Fernandes, Iva; Santos-Buelga, Celestino; Gonzalez-Manzano, Susana; Dueñas, Montserrat; de Freitas, Victor; Mateus, Nuno; Calhau, Conceição

    2014-04-15

    This study aimed to evaluate the transmembrane transport of different flavonoids (flavan-3-ols, anthocyanins and flavonols) and some of their metabolites (methylated and conjugated with glucuronic acid) across hCMEC/D3 cells (a blood-brain barrier (BBB) model). Further metabolism of the tested compounds was assayed and their transport modulated in an attempt to elucidate the mechanisms behind this process. The transport across hCMEC/D3 cells was monitored in basolateral media at 1, 3 and 18 h by HPLC-DAD/MS. All the flavonoids and their metabolites were transported across hCMEC/D3 cells in a time-dependent manner. In general, the metabolites showed higher transport efficiency than the native flavonoid. No further biotransformation of the metabolites was found as consequence of cellular metabolism. Anthocyanins and their metabolites crossed this BBB cell model in a lipophilicity-dependent way. Quercetin transport was influenced by phosphatase modulators, suggesting a phosphorylation/dephosphorylation regulation mechanism. Overall, this work suggests that flavonoids are capable of crossing the BBB and reaching the central nervous system.

  16. Characterization of Transport Errors in Chemical Forecasts from a Global Tropospheric Chemical Transport Model

    NASA Technical Reports Server (NTRS)

    Bey, I.; Jacob, D. J.; Liu, H.; Yantosca, R. M.; Sachse, G. W.

    2004-01-01

    We propose a new methodology to characterize errors in the representation of transport processes in chemical transport models. We constrain the evaluation of a global three-dimensional chemical transport model (GEOS-CHEM) with an extended dataset of carbon monoxide (CO) concentrations obtained during the Transport and Chemical Evolution over the Pacific (TRACE-P) aircraft campaign. The TRACEP mission took place over the western Pacific, a region frequently impacted by continental outflow associated with different synoptic-scale weather systems (such as cold fronts) and deep convection, and thus provides a valuable dataset. for our analysis. Model simulations using both forecast and assimilated meteorology are examined. Background CO concentrations are computed as a function of latitude and altitude and subsequently subtracted from both the observed and the model datasets to focus on the ability of the model to simulate variability on a synoptic scale. Different sampling strategies (i.e., spatial displacement and smoothing) are applied along the flight tracks to search for systematic model biases. Statistical quantities such as correlation coefficient and centered root-mean-square difference are computed between the simulated and the observed fields and are further inter-compared using Taylor diagrams. We find no systematic bias in the model for the TRACE-P region when we consider the entire dataset (i.e., from the surface to 12 km ). This result indicates that the transport error in our model is globally unbiased, which has important implications for using the model to conduct inverse modeling studies. Using the First-Look assimilated meteorology only provides little improvement of the correlation, in comparison with the forecast meteorology. These general statements can be refined when the entire dataset is divided into different vertical domains, i.e., the lower troposphere (less than 2 km), the middle troposphere (2-6 km), and the upper troposphere (greater than

  17. Multiscale modeling for fluid transport in nanosystems.

    SciTech Connect

    Lee, Jonathan W.; Jones, Reese E.; Mandadapu, Kranthi Kiran; Templeton, Jeremy Alan; Zimmerman, Jonathan A.

    2013-09-01

    Atomistic-scale behavior drives performance in many micro- and nano-fluidic systems, such as mircrofludic mixers and electrical energy storage devices. Bringing this information into the traditionally continuum models used for engineering analysis has proved challenging. This work describes one such approach to address this issue by developing atomistic-to-continuum multi scale and multi physics methods to enable molecular dynamics (MD) representations of atoms to incorporated into continuum simulations. Coupling is achieved by imposing constraints based on fluxes of conserved quantities between the two regions described by one of these models. The impact of electric fields and surface charges are also critical, hence, methodologies to extend finite-element (FE) MD electric field solvers have been derived to account for these effects. Finally, the continuum description can have inconsistencies with the coarse-grained MD dynamics, so FE equations based on MD statistics were derived to facilitate the multi scale coupling. Examples are shown relevant to nanofluidic systems, such as pore flow, Couette flow, and electric double layer.

  18. A coupled energy transport and hydrological model for urban canopies

    NASA Astrophysics Data System (ADS)

    Wang, Z.; Bou-Zeid, E.; Smith, J. A.

    2011-12-01

    Urban land-atmosphere interaction has been attracting more research efforts in order to understand the complex physics of flow and mass and heat transport in urban surfaces and the lower urban atmosphere. In this work, we developed and implemented a new physically-based single-layer urban canopy model, coupling the surface exchange of energy and the subsurface transport of water/soil moisture. The new model incorporates sub-facet heterogeneity for each urban surface (roof, wall or ground). This better simulates the energy transport in urban canopy layers, especially over low-intensity built (suburban type) terrains that include a significant fraction of vegetated surfaces. We implemented detailed urban hydrological models for both natural terrains (bare soil and vegetation) and porous engineered materials with water-holding capacity (concrete, gravel, etc). The skill of the new scheme was tested against experimental data collected through a wireless sensor network deployed over the campus of Princeton University. The model performance was found to be robust and insensitive to changes in weather conditions or seasonal variability. Predictions of the volumetric soil water content were also in good agreement with field measurements, highlighting the model capability of capturing subsurface water transport for urban lawns. The new model was also applied to a case study assessing different strategies, i.e. white versus green roofs, in the mitigation of urban heat island effect.

  19. A transport model for computer simulation of wildfires

    SciTech Connect

    Linn, R.

    1997-12-31

    Realistic self-determining simulation of wildfires is a difficult task because of a large variety of important length scales (including scales on the size of twigs or grass and the size of large trees), imperfect data, complex fluid mechanics and heat transfer, and very complicated chemical reactions. The author uses a transport approach to produce a model that exhibits a self-determining propagation rate. The transport approach allows him to represent a large number of environments such as those with nonhomogeneous vegetation and terrain. He accounts for the microscopic details of a fire with macroscopic resolution by dividing quantities into mean and fluctuating parts similar to what is done in traditional turbulence modeling. These divided quantities include fuel, wind, gas concentrations, and temperature. Reaction rates are limited by the mixing process and not the chemical kinetics. The author has developed a model that includes the transport of multiple gas species, such as oxygen and volatile hydrocarbons, and tracks the depletion of various fuels and other stationary solids and liquids. From this model he develops a simplified local burning model with which he performs a number of simulations that demonstrate that he is able to capture the important physics with the transport approach. With this simplified model he is able to pick up the essence of wildfire propagation, including such features as acceleration when transitioning to upsloping terrain, deceleration of fire fronts when they reach downslopes, and crowning in the presence of high winds.

  20. Modeling transport in the kidney: investigating function and dysfunction

    PubMed Central

    2010-01-01

    Mathematical models of water and solute transport in the kidney have significantly expanded our understanding of renal function in both health and disease. This review describes recent theoretical developments and emphasizes the relevance of model findings to major unresolved questions and controversies. These include the fundamental processes by which urine is concentrated in the inner medulla, the ultrastructural basis of proteinuria, irregular flow oscillation patterns in spontaneously hypertensive rats, and the mechanisms underlying the hypotensive effects of thiazides. Macroscopic models of water, NaCl, and urea transport in populations of nephrons have served to test, confirm, or refute a number of hypotheses related to the urine concentrating mechanism. Other macroscopic models focus on the mechanisms, role, and irregularities of renal hemodynamic control and on the regulation of renal oxygenation. At the mesoscale, models of glomerular filtration have yielded significant insight into the ultrastructural basis underlying a number of disorders. At the cellular scale, models of epithelial solute transport and pericyte Ca2+ signaling are being used to elucidate transport pathways and the effects of hormones and drugs. Areas where further theoretical progress is conditional on experimental advances are also identified. PMID:19889951

  1. Modeling particle transport in downward and upward flows

    NASA Astrophysics Data System (ADS)

    Basha, H. A.; Culligan, P. J.

    2010-07-01

    Experimental data obtained for particle transport in downward and upward flows in smooth and rough porous media are analyzed at various flow rates. The data analysis and interpretation are aided through an analytical model with linear kinetics that assumes two sites for particle deposition within a medium, namely, reversible and irreversible, together with a dual mode of irreversible deposition. The bimodal particle transport model is obtained using the Green's function method and is capable of fitting, with reasonable accuracy, the observed transport and deposition behavior of particles. Approximations for advection-dominated flows are also obtained that could represent a simplified modeling tool. Expressions of the temporal moments are developed and algebraic equations are derived that express the model parameters in terms of the moments of the measured particle concentration distributions. The transport models helped define the relationship of the modeled parameters to flow velocity and media roughness. The fitting results show that the parameters for rough and smooth media vary in a systematic way with the pore fluid velocity. The results also reveal that flow direction has a significant influence on the mode and magnitude of irreversible particle deposition for the conditions investigated. For the same seepage velocity, the rate of particle deposition is greater for upward flows than for downward flows. Moreover, roughness effects increase the irreversible particle deposition in downward flows but have little effect in upward flows.

  2. 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

  3. Continuous Modeling of Calcium Transport Through Biological Membranes

    NASA Astrophysics Data System (ADS)

    Jasielec, J. J.; Filipek, R.; Szyszkiewicz, K.; Sokalski, T.; Lewenstam, A.

    2016-08-01

    In this work an approach to the modeling of the biological membranes where a membrane is treated as a continuous medium is presented. The Nernst-Planck-Poisson model including Poisson equation for electric potential is used to describe transport of ions in the mitochondrial membrane—the interface which joins mitochondrial matrix with cellular cytosis. The transport of calcium ions is considered. Concentration of calcium inside the mitochondrion is not known accurately because different analytical methods give dramatically different results. We explain mathematically these differences assuming the complexing reaction inside mitochondrion and the existence of the calcium set-point (concentration of calcium in cytosis below which calcium stops entering the mitochondrion).

  4. Influence of Transport on Two-Dimensional Model Simulation. Tracer Sensitivity to 2-D Model Transport. 1; Long Lived Tracers

    NASA Technical Reports Server (NTRS)

    Fleming, Eric L.; Jackman, Charles H.; Considine, David B.; Stolarski, Richard S.

    1999-01-01

    In this study, we examine the sensitivity of long lived tracers to changes in the base transport components in our 2-D model. Changes to the strength of the residual circulation in the upper troposphere and stratosphere and changes to the lower stratospheric K(sub zz) had similar effects in that increasing the transport rates decreased the overall stratospheric mean age, and increased the rate of removal of material from the stratosphere. Increasing the stratospheric K(sub yy) increased the mean age due to the greater recycling of air parcels through the middle atmosphere, via the residual circulation, before returning to the troposphere. However, increasing K(sub yy) along with self-consistent increases in the corresponding planetary wave drive, which leads to a stronger residual circulation, more than compensates for the K(sub yy)-effect, and produces significantly younger ages throughout the stratosphere. Simulations with very small tropical stratospheric K(sub yy) decreased the globally averaged age of air by as much as 25% in the middle and upper stratosphere, and resulted in substantially weaker vertical age gradients above 20 km in the extratropics. We found only very small stratospheric tracer sensitivity to the magnitude of the horizontal mixing across the tropopause, and to the strength of the mesospheric gravity wave drag and diffusion used in the model. We also investigated the transport influence on chemically active tracers and found a strong age-tracer correlation, both in concentration and calculated lifetimes. The base model transport gives the most favorable overall comparison with a variety of inert tracer observations, and provides a significant improvement over our previous 1995 model transport. Moderate changes to the base transport were found to provide modest agreement with some of the measurements. Transport scenarios with residence times ranging from moderately shorter to slightly longer relative to the base case simulated N2O lifetimes

  5. 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.

  6. The Global Modeling Initiative Assessment Model: Model Description, Integration and Testing of the Transport Shell

    SciTech Connect

    Rotman, D.A.; Tannahill, J.R.; Kinnison, D.E.; Connell, P.S.; Bergmann, D.; Proctor, D.; Rodriquez, J.M.; Lin, S.J.; Rood, R.B.; Prather, M.J.; Rasch, P.J.; Considine, D.B.; Ramaroson, R.; Kawa, S.R.

    2000-04-25

    We describe the three dimensional global stratospheric chemistry model developed under the NASA Global Modeling Initiative (GMI) to assess the possible environmental consequences from the emissions of a fleet of proposed high speed civil transport aircraft. This model was developed through a unique collaboration of the members of the GMI team. Team members provided computational modules representing various physical and chemical processes, and analysis of simulation results through extensive comparison to observation. The team members' modules were integrated within a computational framework that allowed transportability and simulations on massively parallel computers. A unique aspect of this model framework is the ability to interchange and intercompare different submodules to assess the sensitivity of numerical algorithms and model assumptions to simulation results. In this paper, we discuss the important attributes of the GMI effort, describe the GMI model computational framework and the numerical modules representing physical and chemical processes. As an application of the concept, we illustrate an analysis of the impact of advection algorithms on the dispersion of a NO{sub y}-like source in the stratosphere which mimics that of a fleet of commercial supersonic transports (High-Speed Civil Transport (HSCT)) flying between 17 and 20 kilometers.

  7. Colloid Transport in Saturated Porous Media: Elimination of Attachment Efficiency in a New Colloid Transport Model

    SciTech Connect

    Landkamer, Lee L.; Harvey, Ronald W.; Scheibe, Timothy D.; Ryan, Joseph N.

    2013-05-11

    A new colloid transport model is introduced that is conceptually simple but captures the essential features of complicated attachment and detachment behavior of colloids when conditions of secondary minimum attachment exist. This model eliminates the empirical concept of collision efficiency; the attachment rate is computed directly from colloid filtration theory. Also, a new paradigm for colloid detachment based on colloid population heterogeneity is introduced. Assuming the dispersion coefficient can be estimated from tracer behavior, this model has only two fitting parameters: (1) the fraction of colloids that attach irreversibly and (2) the rate at which reversibly attached colloids leave the surface. These two parameters were correlated to physical parameters that control colloid transport such as the depth of the secondary minimum and pore water velocity. Given this correlation, the model serves as a heuristic tool for exploring the influence of physical parameters such as surface potential and fluid velocity on colloid transport. This model can be extended to heterogeneous systems characterized by both primary and secondary minimum deposition by simply increasing the fraction of colloids that attach irreversibly.

  8. Transport of pollutants; Summary review of physical dispersion models

    SciTech Connect

    Yadigaroglu, G. ); Munera, H.A. )

    1987-05-01

    The physical processes taking place during the dispersion of releases of pollutants into the atmosphere and the hydrosphere (surface as well as groundwaters) can be mathematically modeled. The analytical methods available for tracking pollutants in the atmosphere include local and mesoscale models (mostly based on Gaussian-plume dispersion), as well as regional and global models, where either more sophisticated numerical techniques or box modeling is used. Various removal processes such as physicochemical transformations, wet and dry deposition, resuspension, and plume rise affect aerial dispersion. The mechanisms of transport in surface waters include mass transport by the waters themselves, dispersion, sedimentation, boundary exchange processes, and various forms of depletion. The models vary according to the type of surface waters considered: rivers, estuaries and tidal rivers, small lakes, open-coast water bodies, etc.

  9. Modeling the transport of volatile organics in variably saturated media

    SciTech Connect

    Sleep, B.E.; Sykes, J.F. )

    1989-01-01

    The understanding of the processes of dissolution, volatilization, and gas-liquid partitioning in porous media is very limited. The few models which attempt to characterize the transport of volatile organics such as petroleum products and halogenated hydrocarbon solvents in variably saturated media all assume that mass transfer processes are at equilibrium. In addition, gas phase advection is neglected by assuming that gas phase pressures are uniformly atmospheric and that density gradients are negligible. In this study a model was developed to solve for water phase flow and transport and density dependent gas phase flow and transport. Simple expressions for dissolution, volatilization, and gas-liquid partitioning, employing the concept of an overall mass transfer coefficient, were incorporated into the model. The transport of trichloroethylene in a variably saturated vertical cross section, under a variety of conditions, was simulated. Results of the simulations appeared qualitatively correct. The importance of gas phase processes in increasing subsurface contamination from volatile organics, and in dissipating residual amounts of these substances, was demonstrated. The lack of similar analytical and/or numerical models, or suitable experimental studies, excluded the possibility of validating, or verifying, the model.

  10. Analytical model of reactive transport processes with spatially variable coefficients.

    PubMed

    Simpson, Matthew J; Morrow, Liam C

    2015-05-01

    Analytical solutions of partial differential equation (PDE) models describing reactive transport phenomena in saturated porous media are often used as screening tools to provide insight into contaminant fate and transport processes. While many practical modelling scenarios involve spatially variable coefficients, such as spatially variable flow velocity, v(x), or spatially variable decay rate, k(x), most analytical models deal with constant coefficients. Here we present a framework for constructing exact solutions of PDE models of reactive transport. Our approach is relevant for advection-dominant problems, and is based on a regular perturbation technique. We present a description of the solution technique for a range of one-dimensional scenarios involving constant and variable coefficients, and we show that the solutions compare well with numerical approximations. Our general approach applies to a range of initial conditions and various forms of v(x) and k(x). Instead of simply documenting specific solutions for particular cases, we present a symbolic worksheet, as supplementary material, which enables the solution to be evaluated for different choices of the initial condition, v(x) and k(x). We also discuss how the technique generalizes to apply to models of coupled multispecies reactive transport as well as higher dimensional problems.

  11. Evaluation of Transport in the Lower Tropical Stratosphere in a Global Chemistry and Transport Model

    NASA Technical Reports Server (NTRS)

    Douglass, Anne R.; Schoeberl, Mark R.; Rood, Richard B.; Pawson, Steven; Bhartia, P. K. (Technical Monitor)

    2002-01-01

    Off-line models of the evolution of stratospheric constituents use meteorological information from a general circulation model (GCM) or from a data assimilation system (DAS). Here we focus on transport in the tropics and between the tropics and middle latitudes. Constituent fields from two simulations are compared with each other and with observations. One simulation uses winds from a GCM and the second uses winds from a DAS that has the same GCM at its core. Comparisons of results from the two simulations with observations from satellite, aircraft, and sondes are used to judge the realism of the tropical transport. Faithful comparisons between simulated fields and observations for O3, CH4, and the age-of-air are found for the simulation using the GCM fields. The same comparisons for the simulation using DAS fields show rapid upward tropical transport and excessive mixing between the tropics and middle latitudes. The unrealistic transport found in the DAS fields may be due to the failure of the GCM used in the assimilation system to represent the quasi-biennial oscillation. The assimilation system accounts for differences between the observations and the GCM by requiring implicit forcing to produce consistency between the GCM and observations. These comparisons suggest that the physical consistency of the GCM fields is more important to transport characteristics in the lower tropical stratosphere than the elimination bias with respect to meteorological observations that is accomplished by the DAS. The comparisons presented here show that GCM fields are more appropriate for long-term calculations to assess the impact of changes in stratospheric composition because the balance between photochemical and transport terms is likely to be represented correctly.

  12. Cerebrospinal and interstitial fluid transport via the glymphatic pathway modeled by optimal mass transport.

    PubMed

    Ratner, Vadim; Gao, Yi; Lee, Hedok; Elkin, Rena; Nedergaard, Maiken; Benveniste, Helene; Tannenbaum, Allen

    2017-03-18

    The glymphatic pathway is a system which facilitates continuous cerebrospinal fluid (CSF) and interstitial fluid (ISF) exchange and plays a key role in removing waste products from the rodent brain. Dysfunction of the glymphatic pathway may be implicated in the pathophysiology of Alzheimer's disease. Intriguingly, the glymphatic system is most active during deep wave sleep general anesthesia. By using paramagnetic tracers administered into CSF of rodents, we previously showed the utility of MRI in characterizing a macroscopic whole brain view of glymphatic transport but we have yet to define and visualize the specific flow patterns. Here we have applied an alternative mathematical analysis approach to a dynamic time series of MRI images acquired every 4min over ∼3h in anesthetized rats, following administration of a small molecular weight paramagnetic tracer into the CSF reservoir of the cisterna magna. We use Optimal Mass Transport (OMT) to model the glymphatic flow vector field, and then analyze the flow to find the network of CSF-ISF flow channels. We use 3D visualization computational tools to visualize the OMT defined network of CSF-ISF flow channels in relation to anatomical and vascular key landmarks from the live rodent brain. The resulting OMT model of the glymphatic transport network agrees largely with the current understanding of the glymphatic transport patterns defined by dynamic contrast-enhanced MRI revealing key CSF transport pathways along the ventral surface of the brain with a trajectory towards the pineal gland, cerebellum, hypothalamus and olfactory bulb. In addition, the OMT analysis also revealed some interesting previously unnoticed behaviors regarding CSF transport involving parenchymal streamlines moving from ventral reservoirs towards the surface of the brain, olfactory bulb and large central veins.

  13. Integration of computational modeling with membrane transport studies reveals new insights into amino acid exchange transport mechanisms.

    PubMed

    Widdows, Kate L; Panitchob, Nuttanont; Crocker, Ian P; Please, Colin P; Hanson, Mark A; Sibley, Colin P; Johnstone, Edward D; Sengers, Bram G; Lewis, Rohan M; Glazier, Jocelyn D

    2015-06-01

    Uptake of system L amino acid substrates into isolated placental plasma membrane vesicles in the absence of opposing side amino acid (zero-trans uptake) is incompatible with the concept of obligatory exchange, where influx of amino acid is coupled to efflux. We therefore hypothesized that system L amino acid exchange transporters are not fully obligatory and/or that amino acids are initially present inside the vesicles. To address this, we combined computational modeling with vesicle transport assays and transporter localization studies to investigate the mechanisms mediating [(14)C]L-serine (a system L substrate) transport into human placental microvillous plasma membrane (MVM) vesicles. The carrier model provided a quantitative framework to test the 2 hypotheses that l-serine transport occurs by either obligate exchange or nonobligate exchange coupled with facilitated transport (mixed transport model). The computational model could only account for experimental [(14)C]L-serine uptake data when the transporter was not exclusively in exchange mode, best described by the mixed transport model. MVM vesicle isolates contained endogenous amino acids allowing for potential contribution to zero-trans uptake. Both L-type amino acid transporter (LAT)1 and LAT2 subtypes of system L were distributed to MVM, with L-serine transport attributed to LAT2. These findings suggest that exchange transporters do not function exclusively as obligate exchangers.

  14. Forest Canopy Processes in a Regional Chemical Transport Model

    NASA Astrophysics Data System (ADS)

    Makar, Paul; Staebler, Ralf; Akingunola, Ayodeji; Zhang, Junhua; McLinden, Chris; Kharol, Shailesh; Moran, Michael; Robichaud, Alain; Zhang, Leiming; Stroud, Craig; Pabla, Balbir; Cheung, Philip

    2016-04-01

    Forest canopies have typically been absent or highly parameterized in regional chemical transport models. Some forest-related processes are often considered - for example, biogenic emissions from the forests are included as a flux lower boundary condition on vertical diffusion, as is deposition to vegetation. However, real forest canopies comprise a much more complicated set of processes, at scales below the "transport model-resolved scale" of vertical levels usually employed in regional transport models. Advective and diffusive transport within the forest canopy typically scale with the height of the canopy, and the former process tends to dominate over the latter. Emissions of biogenic hydrocarbons arise from the foliage, which may be located tens of metres above the surface, while emissions of biogenic nitric oxide from decaying plant matter are located at the surface - in contrast to the surface flux boundary condition usually employed in chemical transport models. Deposition, similarly, is usually parameterized as a flux boundary condition, but may be differentiated between fluxes to vegetation and fluxes to the surface when the canopy scale is considered. The chemical environment also changes within forest canopies: shading, temperature, and relativity humidity changes with height within the canopy may influence chemical reaction rates. These processes have been observed in a host of measurement studies, and have been simulated using site-specific one-dimensional forest canopy models. Their influence on regional scale chemistry has been unknown, until now. In this work, we describe the results of the first attempt to include complex canopy processes within a regional chemical transport model (GEM-MACH). The original model core was subdivided into "canopy" and "non-canopy" subdomains. In the former, three additional near-surface layers based on spatially and seasonally varying satellite-derived canopy height and leaf area index were added to the original model

  15. Kinetics of microbial degradation of deicing chemicals in percolated porous media - the modeling perspective

    NASA Astrophysics Data System (ADS)

    Wehrer, Markus; Lissner, Heidi; Totsche, Kai

    2013-04-01

    A quantitative knowledge of the fate of deicing chemicals in the subsurface can be provided by analysis of laboratory and field experiments with numerical simulation models. In the present study, experimental data of microbial degradation of the deicing chemical propylene glycol (PG) under flow conditions in soil columns and field lysimeters were simulated to analyze the process conditions of degradation and to obtain the according parameters. Results from the column experiment were evaluated applying different scenarios of an advection-dispersion model using HYDRUS-1D. To reconstruct the data, different competing degradation models were included, i.e., zero order, first order and inclusion of a growing and decaying biomass. The general breakthrough behavior of propylene glycol in soil columns can be simulated well using a coupled model of solute transport and degradation with growth and decay of biomass. The susceptibility of the model to non-unique solutions was investigated using systematical forward and inverse simulations. We found that the model tends to equifinal solutions under certain conditions. Complex experimental boundary conditions can help to avoid this. Under field conditions, the situation is far more complex than in the laboratory. Studying the fate of PG with undisturbed lysimeters we found that aerobic and anaerobic degradation occurs simultaneously. We attribute this to the physical structure and the aggregated nature of the undisturbed soil material . This results in the presence of spatially disjoint oxidative and reductive regions of microbial activity and requires, but is not fully reflected by a dual porosity model. Currently, the numerical simulation of this system is in progress, considering several flow and transport models. A stochastic global search algorithm (DREAM-ZS) is used in conjuction with HYDRUS-1D to avoid local minima in the inverse simulations. The study shows the current limitations and potentials of modeling degradation

  16. Recent Updates of A Multi-Phase Transport (AMPT) Model

    NASA Astrophysics Data System (ADS)

    Lin, Zi-Wei

    2008-10-01

    We will present recent updates to the AMPT model, a Monte Carlo transport model for high energy heavy ion collisions, since its first public release in 2004 and the corresponding detailed descriptions in Phys. Rev. C 72, 064901 (2005). The updates often result from user requests. Some of these updates expand the physics processes or descriptions in the model, while some updates improve the usability of the model such as providing the initial parton distributions or help avoid crashes on some operating systems. We will also explain how the AMPT model is being maintained and updated.

  17. Applicability of the band transport (Kukhtarev) model to photorefractive polymers

    NASA Astrophysics Data System (ADS)

    Ducharme, Stephen

    1995-08-01

    The band transport model of space-charge production has proved very successful in describing photorefractive phenomena in a wide range of inorganic crystals, ranging from high-mobility semiconductors like GaAs, to highly insulating ferroelectrics like BaTiO3. This success is primarily due to the applicability of a generic picture of charge transport in extrinsic crystalline semiconductors, a picture that becomes cloudy in noncrystalline systems like the new photorefractive polymers. Photorefractive polymers exhibit the classic photorefractive behaviors such as photoconduction, electro-optic response, hologram formation and storage, and two-beam energy coupling, all without benefit of a crystalline lattice or well defined conduction band. In this report, I will outline how the band transport model can be adapted to describe photorefraction in noncrystalline materials by the dual expediencies of renaming certain embarrassing 'constants' and admitting that they are strongly dependent on the total electric field.

  18. Dissipative particle dynamics model for colloid transport in porous media

    SciTech Connect

    Pan, W.; Tartakovsky, A. M.

    2013-08-01

    We present that the transport of colloidal particles in porous media can be effectively modeled with a new formulation of dissipative particle dynamics, which augments standard DPD with non-central dissipative shear forces between particles while preserving angular momentum. Our previous studies have demonstrated that the new formulation is able to capture accurately the drag forces as well as the drag torques on colloidal particles that result from the hydrodynamic retardation effect. In the present work, we use the new formulation to study the contact efficiency in colloid filtration in saturated porous media. Note that the present model include all transport mechanisms simultaneously, including gravitational sedimentation, interception and Brownian diffusion. Our results of contact efficiency show a good agreement with the predictions of the correlation equation proposed by Tufenkji and EliMelech, which also incorporate all transport mechanisms simultaneously without the additivity assumption.

  19. A new turbulence-based model for sand transport

    NASA Astrophysics Data System (ADS)

    Mayaud, Jerome; Wiggs, Giles; Bailey, Richard

    2016-04-01

    Knowledge of the changing rate of sediment flux in space and time is essential for quantifying surface erosion and deposition in desert landscapes. While many aeolian studies have relied on time-averaged parameters such as wind velocity (U) and wind shear velocity (u*) to determine sediment flux, there is increasing evidence that high-frequency turbulence is an important driving force behind the entrainment and transport of sand. However, turbulence has yet to be incorporated into a functional sand transport model that can be used for predictive purposes. In this study we present a new transport model (the 'turbulence model') that accounts for high-frequency variations in the horizontal (u) and vertical (w) components of wind flow. The turbulence model is fitted to wind velocity and sediment transport data from a field experiment undertaken in Namibia's Skeleton Coast National Park, and its performance at three temporal resolutions (10 Hz, 1 Hz, 1 min) is compared to two existing models that rely on time-averaged wind velocity data (Radok, 1977; Dong et al., 2003). The validity of the three models is analysed under a variety of saltation conditions, using a 2-hour (1 Hz measurement resolution) dataset from the Skeleton Coast and a 5-hour (1 min measurement resolution) dataset from the southwestern Kalahari Desert. The turbulence model is shown to outperform the Radok and Dong models when predicting total saltation count over the three experimental periods. For all temporal resolutions presented in this study (10 Hz-10 min), the turbulence model predicted total saltation count to within at least 0.34%, whereas the Radok and Dong models over- or underestimated total count by up to 5.50% and 20.53% respectively. The strong performance of the turbulence model can be attributed to a lag in mass flux response built into its formulation, which can be adapted depending on the temporal resolution of investigation. This accounts for the inherent lag within the physical

  20. Statistical analysis and mathematical modeling of a tracer test on the Santa Clara River, Ventura County, California

    USGS Publications Warehouse

    Paybins, Katherine S.; Nishikawa, Tracy; Izbicki, John A.; Reichard, Eric G.

    1998-01-01

    To better understand flow processes, solute-transport processes, and ground-water/surface-water interactions on the Santa Clara River in Ventura County, California, a 24-hour fluorescent-dye tracer study was performed under steady-state flow conditions on a 28-mile reach of the river. The study reach includes perennial (uppermost and lowermost) subreaches and ephemeral subreaches of the lower Piru Creek and the middle Santa Clara River. Dye was injected at a site on Piru Creek, and fluorescence of river water was measured continuously at four sites and intermittently at two sites. Discharge measurements were also made at the six sites. The time of travel of the dye, peak dye concentration, and time-variance of time-concentration curves were obtained at each site. The long tails of the time-concentration curves are indicative of sources/sinks within the river, such as riffles and pools, or transient bank storage. A statistical analysis of the data indicates that, in general, the transport characteristics follow Fickian theory. These data and previously collected discharge data were used to calibrate a one-dimensional flow model (DAFLOW) and a solute-transport model (BLTM). DAFLOW solves a simplified form of the diffusion-wave equation and uses empirical relations between flow rate and cross-sectional area, and flow rate and channel width. BLTM uses the velocity data from DAFLOW and solves the advection-dispersion transport equation, including first-order decay. The simulations of dye transport indicated that (1) ground-water recharge explains the loss of dye mass in the middle, ephemeral, subreaches, and (2) ground-water recharge does not explain the loss of dye mass in the uppermost and lowermost, perennial, subreaches. This loss of mass was simulated using a linear decay term. The loss of mass in the perennial subreaches may be caused by a combination of photodecay or adsorption/desorption.

  1. Development of numerical Grids for UZ Flow and Transport Modeling

    SciTech Connect

    P. Dobson

    2004-08-31

    This report describes the methods used to develop numerical grids of the unsaturated hydrogeologic system beneath Yucca Mountain, Nevada. Numerical grid generation is an integral part of the development of the unsaturated zone (UZ) flow and transport model, a complex, three-dimensional (3-D) model of Yucca Mountain. This revision contains changes made to improve the clarity of the description of grid generation. The numerical grids, developed using current geologic, hydrogeologic, and mineralogic data, provide the necessary framework to: (1) develop calibrated hydrogeologic property sets and flow fields, (2) test conceptual hypotheses of flow and transport, and (3) predict flow and transport behavior under a variety of climatic and thermal-loading conditions. The technical scope, content, and management for the current revision of this report are described in the planning document ''Technical Work Plan for: Unsaturated Zone Flow Analysis and Model Report Integration'' (BSC 2004 [DIRS 169654], Section 2). Grids generated and documented in this report supersede those documented in Revision 00 of this report, ''Development of Numerical Grids for UZ Flow and Transport Modeling'' (BSC 2001 [DIRS 159356]). The grids presented in this report are the same as those developed in Revision 01 (BSC 2003 [DIRS 160109]); however, the documentation of the development of the grids in Revision 02 has been updated to address technical inconsistencies and achieve greater transparency, readability, and traceability. The constraints, assumptions, and limitations associated with this report are discussed in the appropriate sections that follow.

  2. Feedback models for polarized auxin transport: an emerging trend.

    PubMed

    Wabnik, Krzysztof; Govaerts, Willy; Friml, Jiří; Kleine-Vehn, Jürgen

    2011-08-01

    The phytohormone auxin is vital to plant growth and development. A unique property of auxin among all other plant hormones is its cell-to-cell polar transport that requires activity of polarly localized PIN-FORMED (PIN) auxin efflux transporters. Despite the substantial molecular insight into the cellular PIN polarization, the mechanistic understanding for developmentally and environmentally regulated PIN polarization is scarce. The long-standing belief that auxin modulates its own transport by means of a positive feedback mechanism has inspired both experimentalists and theoreticians for more than two decades. Recently, theoretical models for auxin-dependent patterning in plants include the feedback between auxin transport and the PIN protein localization. These computer models aid to assess the complexity of plant development by testing and predicting plausible scenarios for various developmental processes that occur in planta. Although the majority of these models rely on purely heuristic principles, the most recent mechanistic models tentatively integrate biologically testable components into known cellular processes that underlie the PIN polarity regulation. The existing and emerging computational approaches to describe PIN polarization are presented and discussed in the light of recent experimental data on the PIN polar targeting.

  3. HYDRODYNAMIC AND TRANSPORT MODELING STUDY IN A HIGHLY STRATIFIED ESTUARY

    EPA Science Inventory

    This paper presents the preliminary results of hydrodynamic and salinity predictions and the implications to an ongoing contaminated sediment transport and fate modeling effort in the Lower Duwamish Waterway (LDW), Seattle, Washington. The LDW is highly strati-fied when freshwate...

  4. VIRTUS: A MODEL OF VIRUS TRANSPORT IN UNSATURATED SOILS

    EPA Science Inventory

    As a result of the recently proposed mandatory groundwater disinfection requirements to inactivate viruses in potable water supplies, there has been increasing interest in virus fate and transport in the subsurface. Several models have been developed to predict the fate of viruse...

  5. Modeling plasmalemma ion transport of the aquatic plant Egeria densa.

    PubMed

    Buschmann, P; Sack, H; Köhler, A E; Dahse, I

    1996-11-01

    Fresh-water plants generate extraordinarily high electric potential differences at the plasma membrane. For a deeper understanding of the underlying transport processes a mathematical model of the electrogenic plasmalemma ion transport was developed based on experimental data mainly obtained from Egeria densa. The model uses a general nonlinear network approach and assumes coupling of the transporters via membrane potential. A proton pump, an outward-rectifying K+ channel, an inward-rectifying K+ channel, a Cl- channel and a (2H-Cl)+ symporter are considered to be elements of the system. The model takes into consideration the effects of light, external pH and ionic content of the bath medium on ion transport. As a result it does not only satisfactorily describe the membrane potential as a function of these external physiological factors but also succeeds in simulating the effects of specific inhibitors as well as I-V-curves obtained with the patch-clamp technique in the whole cell mode. The quality of the model was checked by stability and sensitivity analyses.

  6. REGIONAL MODELING OF THE ATMOSPHERIC TRANSPORT AND DEPOSITION OF ATRAZINE

    EPA Science Inventory

    A version of the Community Multiscale Air Quality (CMAQ) model has been developed by the U.S. EPA that is capable of addressing the atmospheric fate, transport and deposition of some common trace toxics. An initial, 36-km rectangular grid-cell application for atrazine has been...

  7. INTERNET COURSE ON MODELING SUBSURFACE TRANSPORT OF PETROLEUM HYDROCARBONS

    EPA Science Inventory

    Assessment of leaks from underground storage tanks relies on knowledge of contaminant fate and transport, hydrology and in some cases modeling. EPA is developing an interactive, on-line training course to provide states with a low-cost training opportunity for these areas. Two ...

  8. Pupils' Response to a Model for Water Transport.

    ERIC Educational Resources Information Center

    Johnstone, A. H.; Mahmoud, N. A.

    1981-01-01

    Described is a model, based on the physical sciences, designed to teach secondary students about water transport through the use of an animated film. Pupils (N=440) taught by this method developed a self-consistent, although reduced, picture and understanding of osmosis. (Author/DC)

  9. THREE-DIMENSIONAL NAPL FATE AND TRANSPORT MODEL

    EPA Science Inventory

    We have added several new and significant capabilities to UTCHEM to make it into a general-purpose NAPL simulator. The simulator is now capable of modeling transient and steady-state three-dimensional flow and mass transport in the groundwater (saturated) and vadose (unsaturated...

  10. Modeling Fate and Transport of Manure-borne Pathogens

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Manure contains pathogenic microorganisms that can cause serious illness and death in humans. The objective of this work is to review the status and challenges in modeling fate and water transport of manure-borne pathogens (MBP) and organisms-indicators of fecal contamination. Approaches are outline...

  11. Turbulent impurity transport modeling for Alcator C-Mod

    NASA Astrophysics Data System (ADS)

    Fu, X. R.; Horton, W.; Bespamyatnov, I. O.; Rowan, W. L.; Benkadda, S.; Fiore, C. L.; Futatani, S.; Liao, K. T.; Liao

    2013-10-01

    Turbulent particle transport is investigated with a quasilinear theory that is motivated by the boron impurity transport experiments in the Alcator C-Mod. Eigenvalue problems for sets of reduced fluid equations for multi-component plasmas are solved for the self-consistent fluctuating field vectors composed of the electric potential φ, the main ion density δni , the impurity density δnz and the ion temperature fluctuation δTi . For Alcator C-Mod parameters, we investigate two drift wave models: (1) the density-gradient-driven impurity drift wave and (2) the ion-temperature-gradient-driven ion temperature gradient (ITG) mode. Analytic and numerical results for particle transport coefficients are derived and compared with the transport data and the neoclassical theory. We explore the ability of the model to explain impurity density profiles in three confinement regimes: H-mode, I-mode and internal transport barrier (ITB) regime in C-Mod. Related experiments reported on the Large Helical Device are briefly discussed.

  12. Modeling subsurface contaminant reactions and transport at the watershed scale

    SciTech Connect

    Gwo, J.P.; Jardine, P.M.; D`Azevedo, E.F.; Wilson, G.V.

    1997-12-01

    The objectives of this research are: (1) to numerically examine the multiscale effects of physical and chemical mass transfer processes on watershed scale, variably saturated subsurface contaminant transport, and (2) to conduct numerical simulations on watershed scale reactive solute transport and evaluate their implications to uncertainty characterization and cost benefit analysis. Concurrent physical and chemical nonequilibrium caused by inter aggregate gradients of pressure head and solute concentration and intra-aggregate geochemical and microbiological processes, respectively, may arise at various scales and flowpaths. To this date, experimental investigations of these complex processes at watershed scale remain a challenge and numerical studies are often needed for guidance of water resources management and decision making. This research integrates the knowledge bases developed during previous experimental and numerical investigations at a proposed waste disposal site at the Oak Ridge National Laboratory to study the concurrent effects of physical and chemical nonequilibrium. Comparison of numerical results with field data indicates that: (1) multiregion, preferential flow and solute transport exist under partially saturated condition and can be confirmed theoretically, and that (2) mass transfer between pore regions is an important process influencing contaminant movement in the subsurface. Simulations of watershed scale, multi species reactive solute transport suggest that dominance of geochemistry and hydrodynamics may occur simultaneously at different locales and influence the movement of one species relative to another. Execution times on the simulations of the reactive solute transport model also indicate that the model is ready to assist the selection of important parameters for site characterization.

  13. Transport Processes from Mechanics: Minimal and Simplest Models

    NASA Astrophysics Data System (ADS)

    Bunimovich, Leonid A.; Grigo, Alexander

    2017-02-01

    We review the current state of a fundamental problem of rigorous derivation of transport processes in classical statistical mechanics from classical mechanics. Such derivations for diffusion and momentum transport (viscosities) were obtained for minimal models of these processes involving one and two particles respectively. However, a minimal model which demonstrates heat conductivity contains three particles. Its rigorous analysis is currently out of reach for existing mathematical techniques. The gas of localized balls is widely accepted as a basis for a simplest model for derivation of Fourier's law. We suggest a modification of the localized balls gas and argue that this gas of localized activated balls is a good candidate to rigorously prove Fourier's law. In particular, hyperbolicity is derived for a reduced version of this model.

  14. Transport Processes from Mechanics: Minimal and Simplest Models

    NASA Astrophysics Data System (ADS)

    Bunimovich, Leonid A.; Grigo, Alexander

    2016-12-01

    We review the current state of a fundamental problem of rigorous derivation of transport processes in classical statistical mechanics from classical mechanics. Such derivations for diffusion and momentum transport (viscosities) were obtained for minimal models of these processes involving one and two particles respectively. However, a minimal model which demonstrates heat conductivity contains three particles. Its rigorous analysis is currently out of reach for existing mathematical techniques. The gas of localized balls is widely accepted as a basis for a simplest model for derivation of Fourier's law. We suggest a modification of the localized balls gas and argue that this gas of localized activated balls is a good candidate to rigorously prove Fourier's law. In particular, hyperbolicity is derived for a reduced version of this model.

  15. A Preprocessor for Modeling Nonpoint Sources in Fractured Media using MODFLOW and MT3D

    NASA Astrophysics Data System (ADS)

    Mun, Y.; Uchrin, C. G.

    2002-05-01

    There are a multitude of fractures in the geological structure of fractured media which act as conduits for subsurface fluid flow. The hydraulic properties of this flow are very heterogeneous even within a single unit and this heterogeneity is very localized. As a result, modeling flow in fractured media is difficult due to this heterogeneity. There are two major approaches to simulate the flow and transport of fluid flow in fractured media: the discrete fracture approach and the continuum approach. Precise characteristics such as geometry are required to use the discrete fracture approach. It, however, is difficult to determine the fluid flow through the fractures because of inaccessibility. In the continuum approach, although head distributions can match to well data, chemical concentration distributions are hard to match well sample concentration observations, because some aquifers are dominated by advective transport and others are likely to serve as reservoirs for immobile solutes. The MODFLOW preprocessor described in this paper has been developed and applied to the Cranberry Lake system in Northwestern New Jersey. Cranberry Lake has exhibited eutrophic characteristics for some time by nonpoint sources including surface water runoff, leaching from local septic systems and direct deposition. It has been estimated that 70% of the nutrient loading to the lake flows through fractured media from septic systems. The preprocessor presented in this paper utilizes percolation theory, which is concerned with the existence of ­ropen paths­_. The percolation threshold of a body-centered cubic lattice (3D), a square lattice (2D) and several other percolation numbers are applied to make the model system represent the fractured media. The distribution of hydraulic head within groundwater is simulated by MODFLOW and the advection-dispersion equation of nitrate transport is solved by MT3D. This study also simulates boron transport as an indicator.

  16. Global transport of Asian dust revealed by NASA/CALIPSO and a global aerosol transport model

    NASA Astrophysics Data System (ADS)

    Eguchi, K.; Yumimoto, K.; Uno, I.; Takemura, T.

    2009-12-01

    Trans-Pacific transport of mineral dust and air pollutants originating from Asia to North America is well known. Eguchi et al. (2009, ACP) pointed out that the Taklimakan Desert supplies mineral dust for upper troposphere and can play an important role in intercontinental-scale dust transport. Asian dust is also detected from ice cores on Greenland and French Alps. The effects of Asian dust on cloud systems and the associated radiative forcing can extend over the Northern Hemisphere. In this study, we report the detailed structure of Asian dust during the global transport using integrated analysis of observations by CALIOP on-boarded NASA/CALIPSO satellite and a glocal aerosol transport model. We used the CALIOP Level 1B data products (ver. 2.01), containing the total attenuated backscatter coefficients at 532/1064 nm and the volume depolarization ratio at 532 nm. Dust extinction coefficients are then derived from the Fernald’s inversion method by setting the lidar ratio to S1=50 sr. As for a global aerosol transport model, we used the Spectral Radiation Transport Model for the Aerosol Species (SPRINTARS; Takemura et al., 2005, JGR). We performed a sensitivity experiment that aims at an analysis specified for a single dust event originating from the Taklimakan. The simulation was performed over May 2007. A sever dust storm occurred on 8-9 May 2007 in Taklimakan Desert. Dust cloud emitted during this dust storm is uplifted to altitude of 8-10 km and starts the travel of full circuit around the globe. It has a meridional width of 100-200 km. About one tenth of the original uplifted dust mass (8.1 Gg) is encircling the globe taking about 2 weeks. Because of its high transport height, the dust cloud almost unaffected by wet removal so that the decay of its concentration level is small. Over the western North Pacific of 2nd circuit, the dust cloud pulls down to the lower troposphere by anticyclonic down draft, and finally it settles on North Pacific because of wet

  17. Development of the Transport Class Model (TCM) Aircraft Simulation From a Sub-Scale Generic Transport Model (GTM) Simulation

    NASA Technical Reports Server (NTRS)

    Hueschen, Richard M.

    2011-01-01

    A six degree-of-freedom, flat-earth dynamics, non-linear, and non-proprietary aircraft simulation was developed that is representative of a generic mid-sized twin-jet transport aircraft. The simulation was developed from a non-proprietary, publicly available, subscale twin-jet transport aircraft simulation using scaling relationships and a modified aerodynamic database. The simulation has an extended aerodynamics database with aero data outside the normal transport-operating envelope (large angle-of-attack and sideslip values). The simulation has representative transport aircraft surface actuator models with variable rate-limits and generally fixed position limits. The simulation contains a generic 40,000 lb sea level thrust engine model. The engine model is a first order dynamic model with a variable time constant that changes according to simulation conditions. The simulation provides a means for interfacing a flight control system to use the simulation sensor variables and to command the surface actuators and throttle position of the engine model.

  18. Mission modeling for the Manned Transportation System study

    NASA Astrophysics Data System (ADS)

    Gaunce, Michael T.; Emmet, Brian R.

    1992-03-01

    To determine the requirements and potential options for the next Manned Transportation System, a 'needs' analysis was performed. The analysis identified the number, mass, type, and destination of manned and unmanned payloads to space. The needs model is based on the NASA Mixed Fleet Manifest and a version of the FY90 Civil Needs Data Base with Space Station Restructure modifications and a 'strawman' DOD mission model.

  19. 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.

  20. Community Sediment Transport Modeling, National Ocean Partnership Program

    DTIC Science & Technology

    2009-12-01

    processes, the model includes the influence of flocculation, hindered settling, rheology, and turbulence -suppression by stratification. Figure 8 indicates...been accomplished. The extensive upwelling event occurred in March 2002 is better reproduced with evident appearance of submesoscale spiral eddies all...To) 6/16/2006-9/30/2009 4. TITLE AND SUBTITLE Community Sediment Transport Model 5a. CONTRACT NUMBERS 5b. GRANT NUMBER N00014-06-1-0945 5c

  1. Validation of transport models using additive flux minimization technique

    NASA Astrophysics Data System (ADS)

    Pankin, A. Y.; Kruger, S. E.; Groebner, R. J.; Hakim, A.; Kritz, A. H.; Rafiq, T.

    2013-10-01

    A new additive flux minimization technique is proposed for carrying out the verification and validation (V&V) of anomalous transport models. In this approach, the plasma profiles are computed in time dependent predictive simulations in which an additional effective diffusivity is varied. The goal is to obtain an optimal match between the computed and experimental profile. This new technique has several advantages over traditional V&V methods for transport models in tokamaks and takes advantage of uncertainty quantification methods developed by the applied math community. As a demonstration of its efficiency, the technique is applied to the hypothesis that the paleoclassical density transport dominates in the plasma edge region in DIII-D tokamak discharges. A simplified version of the paleoclassical model that utilizes the Spitzer resistivity for the parallel neoclassical resistivity and neglects the trapped particle effects is tested in this paper. It is shown that a contribution to density transport, in addition to the paleoclassical density transport, is needed in order to describe the experimental profiles. It is found that more additional diffusivity is needed at the top of the H-mode pedestal, and almost no additional diffusivity is needed at the pedestal bottom. The implementation of this V&V technique uses the FACETS::Core transport solver and the DAKOTA toolkit for design optimization and uncertainty quantification. The FACETS::Core solver is used for advancing the plasma density profiles. The DAKOTA toolkit is used for the optimization of plasma profiles and the computation of the additional diffusivity that is required for the predicted density profile to match the experimental profile.

  2. Modelling transport and deposition of caesium and iodine from the Chernobyl accident using the DREAM model

    NASA Astrophysics Data System (ADS)

    Brandt, J.; Christensen, J. H.; Frohn, L. M.

    2002-06-01

    A tracer model, DREAM (the Danish Rimpuff and Eulerian Accidental release Model), has been developed for modelling transport, dispersion and deposition (wet and dry) of radioactive material from accidental releases, as the Chernobyl accident. The model is a combination of a Lagrangian model, that includes the near source dispersion, and an Eulerian model describing the long-range transport. The performance of the transport model has previously been tested within the European Tracer Experiment, ETEX, which included transport and dispersion of an inert, non-depositing tracer from a controlled release. The focus of this paper is the model performance with respect to the deposition of 137Cs, 134Cs and 131I from the Chernobyl accident, using different relatively simple and comprehensive parameterizations. The performance, compared to measurements, of different combinations of parameterizations of wet and dry deposition schemes has been evaluated, using different statistical tests.

  3. Sediment and radionuclide transport in rivers: radionuclide transport modeling for Cattaraugus and Buttermilk Creeks, New York

    SciTech Connect

    Onishi, Y.; Yabusaki, S.B.; Kincaid, C.T.; Skaggs, R.L.; Walters, W.H.

    1982-12-01

    SERATRA, a transient, two-dimensional (laterally-averaged) computer model of sediment-contaminant transport in rivers, satisfactorily resolved the distribution of sediment and radionuclide concentrations in the Cattaraugus Creek stream system in New York. By modeling the physical processes of advection, diffusion, erosion, deposition, and bed armoring, SERATRA routed three sediment size fractions, including cohesive soils, to simulate three dynamic flow events. In conjunction with the sediment transport, SERATRA computed radionuclide levels in dissolved, suspended sediment, and bed sediment forms for four radionuclides (/sup 137/Cs, /sup 90/Sr, /sup 239/ /sup 240/Pu, and /sup 3/H). By accounting for time-dependent sediment-radionuclide interaction in the water column and bed, SERATA is a physically explicit model of radionuclide fate and migration. Sediment and radionuclide concentrations calculated by SERATA in the Cattaraugus Creek stream system are in reasonable agreement with measured values. SERATRA is in the field performance phase of an extensive testing program designed to establish the utility of the model as a site assessment tool. The model handles not only radionuclides but other contaminants such as pesticides, heavy metals and other toxic chemicals. Now that the model has been applied to four field sites, including the latest study of the Cattaraugus Creek stream system, it is recommended that a final model be validated through comparison of predicted results with field data from a carefully controlled tracer test at a field site. It is also recommended that a detailed laboratory flume be tested to study cohesive sediment transport, deposition, and erosion characteristics. The lack of current understanding of these characteristics is one of the weakest areas hindering the accurate assessment of the migration of radionuclides sorbed by fine sediments of silt and clay.

  4. Modeling transport kinetics in clinoptilolite-phosphate rock systems

    NASA Technical Reports Server (NTRS)

    Allen, E. R.; Ming, D. W.; Hossner, L. R.; Henninger, D. L.

    1995-01-01

    Nutrient release in clinoptilolite-phosphate rock (Cp-PR) systems occurs through dissolution and cation-exchange reactions. Investigating the kinetics of these reactions expands our understanding of nutrient release processes. Research was conducted to model transport kinetics of nutrient release in Cp-PR systems. The objectives were to identify empirical models that best describe NH4, K, and P release and define diffusion-controlling processes. Materials included a Texas clinoptilolite (Cp) and North Carolina phosphate rock (PR). A continuous-flow thin-disk technique was used. Models evaluated included zero order, first order, second order, parabolic diffusion, simplified Elovich, Elovich, and power function. The power-function, Elovich, and parabolic-diffusion models adequately described NH4, K, and P release. The power-function model was preferred because of its simplicity. Models indicated nutrient release was diffusion controlled. Primary transport processes controlling nutrient release for the time span observed were probably the result of a combination of several interacting transport mechanisms.

  5. Transport of Solar Wind Fluctuations: A Two-Component Model

    NASA Technical Reports Server (NTRS)

    Oughton, S.; Matthaeus, W. H.; Smith, C. W.; Breech, B.; Isenberg, P. A.

    2011-01-01

    We present a new model for the transport of solar wind fluctuations which treats them as two interacting incompressible components: quasi-two-dimensional turbulence and a wave-like piece. Quantities solved for include the energy, cross helicity, and characteristic transverse length scale of each component, plus the proton temperature. The development of the model is outlined and numerical solutions are compared with spacecraft observations. Compared to previous single-component models, this new model incorporates a more physically realistic treatment of fluctuations induced by pickup ions and yields improved agreement with observed values of the correlation length, while maintaining good observational accord with the energy, cross helicity, and temperature.

  6. Towards a transport model for epistemic UQ in RANS closures

    NASA Astrophysics Data System (ADS)

    Edeling, Wouter; Iaccarino, Gianluca

    2016-11-01

    Due to their computational efficiency, Reynold-Averaged Navier-Stokes (RANS) turbulence models remain a vital tool for modeling turbulent flows. However, it is well known that RANS predictions are locally corrupted by epistemic model-form uncertainty. Whereas some Uncertainty Quantification (UQ) approaches attempt to quantify this uncertainty by considering the model coefficients as random variables, we directly perturb the Reynold-stress tensor at locations in the flow domain where the modeling assumptions are likely to be invalid. Inferring the perturbations on a point-by-point basis would lead to a high-dimensional problem. To reduce the dimensionality, we propose separate model equations based on the transport of linear invariants of the anisotropy tensor. This provides us with a low-dimensional UQ framework where the invariant transport model decides on the magnitude and direction of the perturbations. Where the perturbations are small, the RANS result is recovered. Using traditional turbulence modeling practices we derive weak realizability constraints, and we will rely on Bayesian inference to calibrate the model on high-fidelity data. We will demonstrate our framework on a number of canonical flow problems where RANS models are prone to failure.

  7. Stability properties of elementary dynamic models of membrane transport.

    PubMed

    Hernández, Julio A

    2003-01-01

    Living cells are characterized by their capacity to maintain a stable steady state. For instance, cells are able to conserve their volume, internal ionic composition and electrical potential difference across the plasma membrane within values compatible with the overall cell functions. The dynamics of these cellular variables is described by complex integrated models of membrane transport. Some clues for the understanding of the processes involved in global cellular homeostasis may be obtained by the study of the local stability properties of some partial cellular processes. As an example of this approach, I perform, in this study, the neighborhood stability analysis of some elementary integrated models of membrane transport. In essence, the models describe the rate of change of the intracellular concentration of a ligand subject to active and passive transport across the plasma membrane of an ideal cell. The ligand can be ionic or nonionic, and it can affect the cell volume or the plasma membrane potential. The fundamental finding of this study is that, within the physiological range, the steady states are asymptotically stable. This basic property is a necessary consequence of the general forms of the expressions employed to describe the active and passive fluxes of the transported ligand.

  8. Coupled transport/hyperelastic model for nastic materials

    NASA Astrophysics Data System (ADS)

    Homison, Chris; Weiland, Lisa M.

    2006-03-01

    Nastic materials are high energy density active materials that mimic processes used in the plant kingdom to produce large deformations through the conversion of chemical energy. These materials utilize the controlled transport of charge and fluid across a selectively-permeable membrane to achieve bulk deformation in a process referred to in the plant kingdom as nastic movements. The nastic material being developed consists of synthetic membranes containing biological ion pumps, ion channels, and ion exchangers surrounding fluid-filled cavities embedded within a polymer matrix. In this paper the formulation of a biological transport model and its coupling with a hyperelastic finite element model of the polymer matrix is discussed. The transport model includes contributions from ion pumps, ion exchangers, and solvent flux. This work will form the basis for a feedback loop in material synthesis efforts. The goal of these studies is to determine the relative importance of the various parameters associated with both the polymer matrix and the biological transport components.

  9. MHD Modeling of the Transition Region Using Realistic Transport Coefficients

    NASA Astrophysics Data System (ADS)

    Goodman, Michael L.

    1997-05-01

    Most of the transition region (TR) consists of a collision dominated plasma. The dissipation and transport of energy in such a plasma is accurately described by the well known classical transport coefficients which include the electrical and thermal conductivity, viscosity, and thermo- electric tensors. These tensors are anisotropic and are functions of local values of temperature, density, and magnetic field. They may be used in an MHD model to obtain a self consistent, physically realistic description of the TR. The physics of kinetic processes is included in the MHD model through the transport coefficients. As a first step in studying heating and cooling processes in the TR in a realistic, quantitative manner, a 1.5 dimensional, steady state MHD model with a specified temperature profile is considered. The momentum equation includes the inertial, pressure gradient, Lorentz, and gravitational forces. The Ohm's law includes the exact expressions for the electrical conductivity and thermo- electric tensors. The electrical conductivity relates the generalized electric field to the conduction current density while the thermo-electric tensor relates the temperature gradient to the thermo-electric current density. The total current density is the sum of the two. It is found that the thermo-electric current density can be as large as the conduction current density, indicating that thermo-electric effects are probably important in modeling the dynamics of energy dissipation, such as wave dissipation, in the TR. Although the temperature gradient is in the vertical direction, the thermo-electric current density is in the horizontal direction, indicating the importance of the effects of anisotropic transport. The transport coefficients are valid for all magnetic field strengths, and so may be used to study the physics of weakly as well as strongly magnetized regions of the TR. Numerical examples are presented.

  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. Model of colloidal transportation of radionuclides by groundwater

    NASA Astrophysics Data System (ADS)

    Malkovsky, V. I.; Yudintsev, S. V.

    2016-09-01

    The transportation of colloidal radionuclides by groundwater was subject to theoretical analysis. The far field of radioactive contamination of the underground environment (liquid waste pumping sites or storage of solidified waste) is dominated by pseudocolloids, i.e., colloidal particles of natural origin contaminated with radionuclides upon contact of groundwater with radioactive materials. Properties of real pseudocolloids were analyzed at sites of radioactive contamination of the underground environment. Based on a probabilistic approach, we developed a mathematical model of pseudocolloid transportation by groundwater, taking into account the difference in size of colloidal particles and the occurrence of nonradioactive natural particles with a similar composition in the groundwater. It is proved that nonuniform dimensions of the particles considerably affect the water transportation rate.

  12. Modeling of natural organic matter transport processes in groundwater.

    PubMed Central

    Yeh, T C; Mas-Pla, J; McCarthy, J F; Williams, T M

    1995-01-01

    A forced-gradient tracer test was conducted at the Georgetown site to study the transport of natural organic matter (NOM) in groundwater. In particular, the goal of this experiment was to investigate the interactions between NOM and the aquifer matrix. A detailed three-dimensional characterization of the hydrologic conductivity heterogeneity of the site was obtained using slug tests. The transport of a conservative tracer (chloride) was successfully reproduced using these conductivity data. Despite the good simulation of the flow field, NOM breakthrough curves could not be reproduced using a two-site sorption model with spatially constant parameters. Preliminary results suggest that different mechanisms for the adsorption/desorption processes, as well as their spatial variability, may significantly affect the transport and fate of NOM. PMID:7621798

  13. Simulating and Modeling Transport Through Atomically Thin Membranes

    NASA Astrophysics Data System (ADS)

    Ostrowski, Joseph; Eaves, Joel

    2014-03-01

    The world is running out of clean portable water. The efficacy of water desalination technologies using porous materials is a balance between membrane selectivity and solute throughput. These properties are just starting to be understood on the nanoscale, but in the limit of atomically thin membranes it is unclear whether one can apply typical continuous time random walk models. Depending on the size of the pore and thickness of the membrane, mass transport can range from single stochastic passage events to continuous flow describable by the usual hydrodynamic equations. We present a study of mass transport through membranes of various pore geometries using reverse nonequilibrium simulations, and analyze transport rates using stochastic master equations.

  14. Model documentation report: Transportation sector model of the National Energy Modeling System

    SciTech Connect

    Not Available

    1994-03-01

    This report documents the objectives, analytical approach and development of the National Energy Modeling System (NEMS) Transportation Model (TRAN). The report catalogues and describes the model assumptions, computational methodology, parameter estimation techniques, model source code, and forecast results generated by the model. This document serves three purposes. First, it is a reference document providing a detailed description of TRAN for model analysts, users, and the public. Second, this report meets the legal requirements of the Energy Information Administration (EIA) to provide adequate documentation in support of its statistical and forecast reports (Public Law 93-275, 57(b)(1)). Third, it permits continuity in model development by providing documentation from which energy analysts can undertake model enhancements, data updates, and parameter refinements.

  15. Interactive 4D Visualization of Sediment Transport Models

    NASA Astrophysics Data System (ADS)

    Butkiewicz, T.; Englert, C. M.

    2013-12-01

    Coastal sediment transport models simulate the effects that waves, currents, and tides have on near-shore bathymetry and features such as beaches and barrier islands. Understanding these dynamic processes is integral to the study of coastline stability, beach erosion, and environmental contamination. Furthermore, analyzing the results of these simulations is a critical task in the design, placement, and engineering of coastal structures such as seawalls, jetties, support pilings for wind turbines, etc. Despite the importance of these models, there is a lack of available visualization software that allows users to explore and perform analysis on these datasets in an intuitive and effective manner. Existing visualization interfaces for these datasets often present only one variable at a time, using two dimensional plan or cross-sectional views. These visual restrictions limit the ability to observe the contents in the proper overall context, both in spatial and multi-dimensional terms. To improve upon these limitations, we use 3D rendering and particle system based illustration techniques to show water column/flow data across all depths simultaneously. We can also encode multiple variables across different perceptual channels (color, texture, motion, etc.) to enrich surfaces with multi-dimensional information. Interactive tools are provided, which can be used to explore the dataset and find regions-of-interest for further investigation. Our visualization package provides an intuitive 4D (3D, time-varying) visualization of sediment transport model output. In addition, we are also integrating real world observations with the simulated data to support analysis of the impact from major sediment transport events. In particular, we have been focusing on the effects of Superstorm Sandy on the Redbird Artificial Reef Site, offshore of Delaware Bay. Based on our pre- and post-storm high-resolution sonar surveys, there has significant scour and bedform migration around the

  16. Stochastic approach to municipal solid waste landfill life based on the contaminant transit time modeling using the Monte Carlo (MC) simulation.

    PubMed

    Bieda, Bogusław

    2013-01-01

    The paper is concerned with application and benefits of MC simulation proposed for estimating the life of a modern municipal solid waste (MSW) landfill. The software Crystal Ball® (CB), simulation program that helps analyze the uncertainties associated with Microsoft® Excel models by MC simulation, was proposed to calculate the transit time contaminants in porous media. The transport of contaminants in soil is represented by the one-dimensional (1D) form of the advection-dispersion equation (ADE). The computer program CONTRANS written in MATLAB language is foundation to simulate and estimate the thickness of landfill compacted clay liner. In order to simplify the task of determining the uncertainty of parameters by the MC simulation, the parameters corresponding to the expression Z2 taken from this program were used for the study. The tested parameters are: hydraulic gradient (HG), hydraulic conductivity (HC), porosity (POROS), linear thickness (TH) and diffusion coefficient (EDC). The principal output report provided by CB and presented in the study consists of the frequency chart, percentiles summary and statistics summary. Additional CB options provide a sensitivity analysis with tornado diagrams. The data that was used include available published figures as well as data concerning the Mittal Steel Poland (MSP) S.A. in Kraków, Poland. This paper discusses the results and show that the presented approach is applicable for any MSW landfill compacted clay liner thickness design.

  17. Optimal Filtering in Mass Transport Modeling From Satellite Gravimetry Data

    NASA Astrophysics Data System (ADS)

    Ditmar, P.; Hashemi Farahani, H.; Klees, R.

    2011-12-01

    Monitoring natural mass transport in the Earth's system, which has marked a new era in Earth observation, is largely based on the data collected by the GRACE satellite mission. Unfortunately, this mission is not free from certain limitations, two of which are especially critical. Firstly, its sensitivity is strongly anisotropic: it senses the north-south component of the mass re-distribution gradient much better than the east-west component. Secondly, it suffers from a trade-off between temporal and spatial resolution: a high (e.g., daily) temporal resolution is only possible if the spatial resolution is sacrificed. To make things even worse, the GRACE satellites enter occasionally a phase when their orbit is characterized by a short repeat period, which makes it impossible to reach a high spatial resolution at all. A way to mitigate limitations of GRACE measurements is to design optimal data processing procedures, so that all available information is fully exploited when modeling mass transport. This implies, in particular, that an unconstrained model directly derived from satellite gravimetry data needs to be optimally filtered. In principle, this can be realized with a Wiener filter, which is built on the basis of covariance matrices of noise and signal. In practice, however, a compilation of both matrices (and, therefore, of the filter itself) is not a trivial task. To build the covariance matrix of noise in a mass transport model, it is necessary to start from a realistic model of noise in the level-1B data. Furthermore, a routine satellite gravimetry data processing includes, in particular, the subtraction of nuisance signals (for instance, associated with atmosphere and ocean), for which appropriate background models are used. Such models are not error-free, which has to be taken into account when the noise covariance matrix is constructed. In addition, both signal and noise covariance matrices depend on the type of mass transport processes under

  18. Multiscale Models for Reactive Transport in Porous Media

    NASA Astrophysics Data System (ADS)

    Tartakovsky, A. M.

    2012-12-01

    Under certain conditions, Darcy-scale reactive transport equations cannot provide sufficiently accurate predictions of multiphase flow and reactive transport. Pore-scale models are based on fundamental conservation laws and, in general, are more accurate than the Darcy-scale models. But, for domains of practical importance, number of unknowns in the pore-sale models may be on the order of billions or trillions and a direct solution of the pore-scale equations is often unfeasible even on modern super-computes. Several novel multiscale methods including a Langevin approach and a dimension reduction method based on a computational closure will be presented. The purpose of these methods is to provide an accurate description of the system averages while retaining critical pore-scale information. The advantages, range of applicability and limitations of the mentioned above multiscale methods will be discussed.

  19. Modeling of turbulent transport as a volume process

    NASA Technical Reports Server (NTRS)

    Jennings, Mark J.; Morel, Thomas

    1987-01-01

    An alternative type of modeling was proposed for the turbulent transport terms in Reynolds-averaged equations. One particular implementation of the model was considered, based on the two-point velocity correlations. The model was found to reproduce the trends but not the magnitude of the nonisotropic behavior of the turbulent transport. Some interesting insights were developed concerning the shape of the contracted two-point correlation volume. This volume is strongly deformed by mean shear from the spherical shape found in unstrained flows. Of particular interest is the finding that the shape is sharply waisted, indicating preferential lines of communication, which should have a direct effect on turbulent transfer and on other processes.

  20. Users manual for a one-dimensional Lagrangian transport model

    USGS Publications Warehouse

    Schoellhamer, D.H.; Jobson, H.E.

    1986-01-01

    A Users Manual for the Lagrangian Transport Model (LTM) is presented. The LTM uses Lagrangian calculations that are based on a reference frame moving with the river flow. The Lagrangian reference frame eliminates the need to numerically solve the convective term of the convection-diffusion equation and provides significant numerical advantages over the more commonly used Eulerian reference frame. When properly applied, the LTM can simulate riverine transport and decay processes within the accuracy required by most water quality studies. The LTM is applicable to steady or unsteady one-dimensional unidirectional flows in fixed channels with tributary and lateral inflows. Application of the LTM is relatively simple and optional capabilities improve the model 's convenience. Appendices give file formats and three example LTM applications that include the incorporation of the QUAL II water quality model 's reaction kinetics into the LTM. (Author 's abstract)

  1. Transport in tight-binding bond percolation models.

    PubMed

    Schmidtke, Daniel; Khodja, Abdellah; Gemmer, Jochen

    2014-09-01

    Most of the investigations to date on tight-binding, quantum percolation models focused on the quantum percolation threshold, i.e., the analog to the Anderson transition. It appears to occur if roughly 30% of the hopping terms are actually present. Thus, models in the delocalized regime may still be substantially disordered, hence analyzing their transport properties is a nontrivial task which we pursue in the paper at hand. Using a method based on quantum typicality to numerically perform linear response theory we find that conductivity and mean free paths are in good accord with results from very simple heuristic considerations. Furthermore we find that depending on the percentage of actually present hopping terms, the transport properties may or may not be described by a Drude model. An investigation of the Einstein relation is also presented.

  2. Modeling acid transport in chemically amplified resist films

    NASA Astrophysics Data System (ADS)

    Patil, Abhijit A.; Doxastakis, Manolis; Stein, Gila E.

    2014-03-01

    The acid-catalyzed deprotection of glassy poly(4-hydroxystyrene-co-tert butyl acrylate) films was studied with infrared absorbance spectroscopy and stochastic simulations. Experimental data were interpreted with a simple description of subdiffusive acid transport coupled to second-order acid loss. This model predicts key attributes of observed deprotection rates, such as fast reaction at short times, slow reaction at long times, and a non-linear dependence on acid loading. The degree of anomalous character is reduced by increasing the post-exposure bake temperature or adding plasticizing agents to the polymer resin. These findings indicate that the acid mobility and overall deprotection kinetics are coupled to glassy matrix dynamics. Furthermore, the acid diffusion lengths were calculated from the anomalous transport model and compared with nanopattern line widths. The consistent scaling between experiments and simulations suggests that the anomalous diffusion model could be further developed into a predictive lithography tool.

  3. ERUPTION TO DOSE: COUPLING A TEPHRA DISPERSAL MODEL WITHIN A PERFORMANCE ASSESSMENT FRAMEWORK

    SciTech Connect

    G. N. Keating, J. Pelletier

    2005-08-26

    The tephra dispersal model used by the Yucca Mountain Project (YMP) to evaluate the potential consequences of a volcanic eruption through the waste repository must incorporate simplifications in order to function within a large Monte-Carlo style performance assessment framework. That is, the explicit physics of the conduit, vent, and eruption column processes are abstracted to a 2-D, steady-state advection-dispersion model (ASHPLUME) that can be run quickly over thousands of realizations of the overall system model. Given the continuous development of tephra dispersal modeling techniques in the last few years, we evaluated the adequacy of this simplified model for its intended purpose within the YMP total system performance assessment (TSPA) model. We evaluated uncertainties inherent in model simplifications including (1) instantaneous, steady-state vs. unsteady eruption, which affects column height, (2) constant wind conditions, and (3) power-law distribution of the tephra blanket; comparisons were made to other models and published ash distributions. Spatial statistics are useful for evaluating differences in these model output vs. results using more complex wind, column height, and tephra deposition patterns. However, in order to assess the adequacy of the model for its intended use in TSPA, we evaluated the propagation of these uncertainties through FAR, the YMP ash redistribution model, which utilizes ASHPLUME tephra deposition results to calculate the concentration of nuclear waste-contaminated tephra at a dose-receptor population as a result of sedimentary transport and mixing processes on the landscape. Questions we sought to answer include: (1) what conditions of unsteadiness, wind variability, or departure from simplified tephra distribution result in significant effects on waste concentration (related to dose calculated for the receptor population)? (2) What criteria can be established for the adequacy of a tephra dispersal model within the TSPA

  4. Spatially explicit multimedia fate models for pollutants in Europe: state of the art and perspectives.

    PubMed

    Pistocchi, A; Sarigiannis, D A; Vizcaino, P

    2010-08-15

    A review by Hollander et al. (in preparation), discusses the relative potentials, advantages and shortcomings of spatial and non spatial models of chemical fate, highlighting that spatially explicit models may be needed for specific purposes. The present paper reviews the state of the art in spatially explicit chemical fate and transport modeling in Europe. We summarize the three main approaches currently adopted in spatially explicit modeling, namely (1) multiple box models, (2) numerical solutions of simultaneous advection-dispersion equations (ADE) in air, soil and water, and (3) the development of meta-models. As all three approaches experience limitations, we describe in further detail geographic information system (GIS)-based modeling as an alternative approach allowing a simple, yet spatially explicit description of chemical fate. We review the input data needed, and the options available for their retrieval at the European scale. We also discuss the importance of, and limitations in model evaluation. We observe that the high uncertainty in chemical emissions and physico-chemical behavior in the environment make realistic simulations difficult to obtain. Therefore we envisage a shift in model use from process simulation to hypothesis testing, in which explaining the discrepancies between observed and computed chemical concentrations in the environment takes importance over prediction per se. This shift may take advantage of using simple models in GIS with residual uses of complex models for detailed studies. It also calls for tighter joint interpretation of models and spatially distributed monitoring datasets, and more refined spatial representation of environmental drivers such as landscape and climate variables, and better emission estimates. In summary, we conclude that the problem is not "how to compute" (i.e. emphasis on numerical methods, spatial/temporal discretization, quantitative uncertainty and sensitivity analysis...) but "what to compute" (i

  5. TRANSPORT

    EPA Science Inventory

    Presentation outline: transport principles, effective solubility; gasoline composition; and field examples (plume diving).
    Presentation conclusions: MTBE transport follows from - phyiscal and chemical properties and hydrology. Field examples show: MTBE plumes > benzene plu...

  6. Modeling of the Nitric Oxide Transport in the Human Lungs

    PubMed Central

    Karamaoun, Cyril; Van Muylem, Alain; Haut, Benoît

    2016-01-01

    In the human lungs, nitric oxide (NO) acts as a bronchodilatator, by relaxing the bronchial smooth muscles and is closely linked to the inflammatory status of the lungs, owing to its antimicrobial activity. Furthermore, the molar fraction of NO in the exhaled air has been shown to be higher for asthmatic patients than for healthy patients. Multiple models have been developed in order to characterize the NO dynamics in the lungs, owing to their complex structure. Indeed, direct measurements in the lungs are difficult and, therefore, these models are valuable tools to interpret experimental data. In this work, a new model of the NO transport in the human lungs is proposed. It belongs to the family of the morphological models and is based on the morphometric model of Weibel (1963). When compared to models published previously, its main new features are the layered representation of the wall of the airways and the possibility to simulate the influence of bronchoconstriction (BC) and of the presence of mucus on the NO transport in lungs. The model is based on a geometrical description of the lungs, at rest and during a respiratory cycle, coupled with transport equations, written in the layers composing an airway wall and in the lumen of the airways. First, it is checked that the model is able to reproduce experimental information available in the literature. Second, the model is used to discuss some features of the NO transport in healthy and unhealthy lungs. The simulation results are analyzed, especially when BC has occurred in the lungs. For instance, it is shown that BC can have a significant influence on the NO transport in the tissues composing an airway wall. It is also shown that the relation between BC and the molar fraction of NO in the exhaled air is complex. Indeed, BC might lead to an increase or to a decrease of this molar fraction, depending on the extent of the BC and on the possible presence of mucus. This should be confirmed experimentally and might

  7. Modeling Phosphorus Transport and Cycling in the Greater Everglades Ecosystem

    NASA Astrophysics Data System (ADS)

    James, A. I.; Grace, K. A.; Jawitz, J. W.; Muller, S.; Munoz-Carpena, R.; Flaig, E. G.

    2005-12-01

    A solute transport model was used to predict phosphorus mobility in the northern Everglades. Over the past several decades, agricultural drainage waters discharged into the northern Everglades, have been enriched in phosphorus (P) relative to the historic rainfall-driven inputs. While methods of reducing total P concentrations in the discharge water have been actively pursued through implementation of agricultural Best Management Practices (BMPs), a major parallel effort has focused on the construction of a network of constructed wetlands for P removal before these waters enter the Everglades. This study describes the development of a water quality model for P transport and cycling and its application to a large constructed wetland: Stormwater Treatment Area 1 West (STA 1W), located southeast of Lake Okeechobee on the eastern perimeter of the Everglades Agricultural Area (EAA). In STA 1W agricultural nutrients such as phosphorus (P) are removed from EAA runoff before entering the adjacent Water Conservation Areas (WCAs) and the Everglades. STA 1W is divided by levees into 4 cells, which are flooded for most of the year; thus the dominant mechanism for flow and transport is overland flow. P is removed either through deposition into sediments or is taken up by plants; in either case the soils end up being significantly enriched in P. The model has been applied and calibrated to several years of water quality data from Cell 4 within STA 1W. Most existing P models have been applied to agricultural/upland systems, with only a few relevant to treatment wetlands such as STA 1W. To ensure sufficient flexibility in selecting appropriate system components and reactions, the model has been designed to incorporate a wide range of user-selectable mechanisms for P uptake and release parameters between soils and inflowing water. The model can track a large number of mobile and nonmobile components and utilizes a Godunov-style operator-splitting technique for the transported

  8. Revisiting the Cape Cod Bacteria Injection Experiment Using a Stochastic Modeling Approach

    SciTech Connect

    Maxwell, R M; Welty, C; Harvey, R W

    2006-11-22

    Bromide and resting-cell bacteria tracer tests carried out in a sand and gravel aquifer at the USGS Cape Cod site in 1987 were reinterpreted using a three-dimensional stochastic approach and Lagrangian particle tracking numerical methods. Bacteria transport was strongly coupled to colloid filtration through functional dependence of local-scale colloid transport parameters on hydraulic conductivity and seepage velocity in a stochastic advection-dispersion/attachment-detachment model. Information on geostatistical characterization of the hydraulic conductivity (K) field from a nearby plot was utilized as input that was unavailable when the original analysis was carried out. A finite difference model for groundwater flow and a particle-tracking model of conservative solute transport was calibrated to the bromide-tracer breakthrough data using the aforementioned geostatistical parameters. An optimization routine was utilized to adjust the mean and variance of the lnK field over 100 realizations such that a best fit of a simulated, average bromide breakthrough curve is achieved. Once the optimal bromide fit was accomplished (based on adjusting the lnK statistical parameters in unconditional simulations), a stochastic particle-tracking model for the bacteria was run without adjustments to the local-scale colloid transport parameters. Good predictions of the mean bacteria breakthrough data were achieved using several approaches for modeling components of the system. Simulations incorporating the recent Tufenkji and Elimelech [1] equation for estimating single collector efficiency were compared to those using the Rajagopalan and Tien [2] model. Both appeared to work equally well at predicting mean bacteria breakthrough using a constant mean bacteria diameter for this set of field conditions, with the Rajagopalan and Tien model yielding approximately a 30% lower peak concentration and less tailing than the Tufenkji and Elimelech formulation. Simulations using a distribution

  9. Volcanic ash forecast transport and dispersion (VAFTAD) model

    SciTech Connect

    Heffter, J.L.; Stunder, B.J.B.

    1993-12-01

    The National Oceanic and Atmospheric Administration (NOAA) Air Resources Laboratory (ARL) has developed a Volcanic Ash Forecast Transport And Dispersion (VAFTAD) model for emergency response use focusing on hazards to aircraft flight operations. The model is run on a workstation at ARL. Meteorological input for the model is automatically downloaded from the NOAA National Meteorological Center (NMC) twice-daily forecast model runs to ARL. Additional input for VAFTAD ragarding the volcanic eruption is supplied by the user guided by monitor prompts. The model calculates transport and dispersion of volcanic ash from an initial ash cloud that has reached its maximum height within 3 h of eruption time. The model assumes that spherical ash particles of diameters ranging from 0.3 to 30 micrometers are distributed throughout the initial cloud with a particle number distribution based on Mount St. Helens and Redoubt Volcano eruptions. Particles are advected horizontally and vertically by the winds and fall according to Stoke`s law with a slip correction. A bivariate-normal distribution is used for horizontally diffusing the cloud and determining ash concentrations. Model output gives maps with symbols representing relative concentrations in three flight layers, and throughout the entire ash cloud, for sequential 6- and 12-h time intervals. A verification program for VAFTAD has been started. Results subjectively comparing model ash cloud forecasts with satellite imagery for three separate 1992 eruptions of Mount Spurr in Alaska hav