Science.gov

Sample records for affect solute transport

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

    USGS Publications Warehouse

    Bahr, J.M.

    1990-01-01

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

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

    USGS Publications Warehouse

    Bahr, Jean M.; Rubin, Jacob

    1987-01-01

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

  3. Characterizing multiple timescales of stream and storage zone interaction that affect solute fate and transport in streams

    USGS Publications Warehouse

    Choi, J.; Harvey, J.W.; Conklin, M.H.

    2000-01-01

    The fate of contaminants in streams and rivers is affected by exchange and biogeochemical transformation in slowly moving or stagnant flow zones that interact with rapid flow in the main channel. In a typical stream, there are multiple types of slowly moving flow zones in which exchange and transformation occur, such as stagnant or recirculating surface water as well as subsurface hyporheic zones. However, most investigators use transport models with just a single storage zone in their modeling studies, which assumes that the effects of multiple storage zones can be lumped together. Our study addressed the following question: Can a single-storage zone model reliably characterize the effects of physical retention and biogeochemical reactions in multiple storage zones? We extended an existing stream transport model with a single storage zone to include a second storage zone. With the extended model we generated 500 data sets representing transport of nonreactive and reactive solutes in stream systems that have two different types of storage zones with variable hydrologic conditions. The one storage zone model was tested by optimizing the lumped storage parameters to achieve a best fit for each of the generated data sets. Multiple storage processes were categorized as possessing I, additive; II, competitive; or III, dominant storage zone characteristics. The classification was based on the goodness of fit of generated data sets, the degree of similarity in mean retention time of the two storage zones, and the relative distributions of exchange flux and storage capacity between the two storage zones. For most cases (> 90%) the one storage zone model described either the effect of the sum of multiple storage processes (category I) or the dominant storage process (category III). Failure of the one storage zone model occurred mainly for category II, that is, when one of the storage zones had a much longer mean retention time (t(s) ratio > 5.0) and when the dominance of

  4. Modeling coupled water flow, solute transport and geochemical reactions affecting heavy metal migration in a podzol soil

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Many or most subsurface pollution problems at the field scale involve such simultaneous processes as water flow, multicomponent solute transport, heat transport and biogeochemical processes and reactions. Process-based models that integrate these various processes can be valuable tools for investiga...

  5. Multi-scale interactions affecting transport, storage, and processing of solutes and sediments in stream corridors (Invited)

    NASA Astrophysics Data System (ADS)

    Harvey, J. W.; Packman, A. I.

    2010-12-01

    Surface water and groundwater flow interact with the channel geomorphology and sediments in ways that determine how material is transported, stored, and transformed in stream corridors. Solute and sediment transport affect important ecological processes such as carbon and nutrient dynamics and stream metabolism, processes that are fundamental to stream health and function. Many individual mechanisms of transport and storage of solute and sediment have been studied, including surface water exchange between the main channel and side pools, hyporheic flow through shallow and deep subsurface flow paths, and sediment transport during both baseflow and floods. A significant challenge arises from non-linear and scale-dependent transport resulting from natural, fractal fluvial topography and associated broad, multi-scale hydrologic interactions. Connections between processes and linkages across scales are not well understood, imposing significant limitations on system predictability. The whole-stream tracer experimental approach is popular because of the spatial averaging of heterogeneous processes; however the tracer results, implemented alone and analyzed using typical models, cannot usually predict transport beyond the very specific conditions of the experiment. Furthermore, the results of whole stream tracer experiments tend to be biased due to unavoidable limitations associated with sampling frequency, measurement sensitivity, and experiment duration. We recommend that whole-stream tracer additions be augmented with hydraulic and topographic measurements and also with additional tracer measurements made directly in storage zones. We present examples of measurements that encompass interactions across spatial and temporal scales and models that are transferable to a wide range of flow and geomorphic conditions. These results show how the competitive effects between the different forces driving hyporheic flow, operating at different spatial scales, creates a situation

  6. Solute transport in groundwater

    NASA Astrophysics Data System (ADS)

    Dougherty, David E.

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

  7. Transport solutions for cleaner air.

    PubMed

    Kelly, Frank J; Zhu, Tong

    2016-05-20

    In cities across the globe, road transport remains an important source of air pollutants that are linked with acute and chronic health effects. Decreasing vehicle emissions--while maintaining or increasing commuter journeys--remains a major challenge for city administrators. In London, congestion-charging and a citywide low-emission zone failed to bring nitrogen dioxide concentrations under control. In Beijing, controls on the purchase and use of cars have not decreased transport emissions to a sufficient extent. As cities continue to grow, not even zero-emission vehicles are the solution. Moving increasingly large numbers of people efficiently around a city can only be achieved by expanding mass transit systems.

  8. Transport solutions for cleaner air.

    PubMed

    Kelly, Frank J; Zhu, Tong

    2016-05-20

    In cities across the globe, road transport remains an important source of air pollutants that are linked with acute and chronic health effects. Decreasing vehicle emissions--while maintaining or increasing commuter journeys--remains a major challenge for city administrators. In London, congestion-charging and a citywide low-emission zone failed to bring nitrogen dioxide concentrations under control. In Beijing, controls on the purchase and use of cars have not decreased transport emissions to a sufficient extent. As cities continue to grow, not even zero-emission vehicles are the solution. Moving increasingly large numbers of people efficiently around a city can only be achieved by expanding mass transit systems. PMID:27199415

  9. Small agricultural impoundments affect pollutant transport

    NASA Astrophysics Data System (ADS)

    Balcerak, Ernie

    2013-03-01

    Reservoirs created by dams intercept runoff from upslope areas and thus are often sinks for fertilizers and other pollutants that would otherwise flow downstream. Most studies of solute transport through impoundments have focused on large, long-lived systems. However, small impoundments, such as those created for irrigation or livestock watering, are common in agricultural regions, and their total global surface area is comparable to that of large reservoirs. As these small systems mature, the impoundments fill with sediment, creating ecosystems with wetland-like characteristics. Because dams that create these small impoundments are more likely to be degraded, poorly maintained, or removed by their owners, it is important to understand how changes in such systems may affect pollutant transport.

  10. Coupled Fluid Energy Solute Transport

    1992-02-13

    CFEST is a Coupled Fluid, Energy, and Solute Transport code for the study of a multilayered, nonisothermal ground-water system. It can model discontinuous as well as continuous layers, time-dependent and constant source/sinks, and transient as well as steady-state flow. The finite element method is used for analyzing isothermal and nonisothermal events in a confined aquifer system. Only single-phase Darcian flow is considered. In the Cartesian coordinate system, flow in a horizontal plane, in a verticalmore » plane, or in a fully three-dimensional region can be simulated. An option also exists for the axisymmetric analysis of a vertical cross section. The code employs bilinear quadrilateral elements in all two dimensional analyses and trilinear quadrilateral solid elements in three dimensional simulations. The CFEST finite element formulation can approximate discontinuities, major breaks in slope or thickness, and fault zones in individual hydrogeologic units. The code accounts for heterogeneity in aquifer permeability and porosity and accommodates anisotropy (collinear with the Cartesian coordinates). The variation in the hydraulic properties is described on a layer-by-layer basis for the different hydrogeologic units. Initial conditions can be prescribed hydraulic head or pressure, temperature, or concentration. CFEST can be used to support site, repository, and waste package subsystem assessments. Some specific applications are regional hydrologic characterization; simulation of coupled transport of fluid, heat, and salinity in the repository region; consequence assessment due to natural disruption or human intrusion scenarios in the repository region; flow paths and travel-time estimates for transport of radionuclides; and interpretation of well and tracer tests.« less

  11. 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.

  12. Transport of compatible solutes in extremophiles.

    PubMed

    Pflüger, K; Müller, V

    2004-02-01

    Salt-tolerant as well as moderately halophilic and halophilic organisms have to maintain their turgor. One strategy is to accumulate small organic compounds, compatible solutes, by de novo synthesis or uptake. From a bioenergetic point of view, uptake is preferred over biosynthesis. The transport systems catalyzing uptake of compatible solutes are of primary or secondary nature and coupled to ATP hydrolysis or ion (H+, Na+) symport. Expression of the transporter genes as well as the activity of the transporters is regulated by salinity/osmolarity and one of the key questions is how salinity or osmolarity is sensed and the signal transmitted as far as to gene expression and transporter activation. Recent studies shed light on the nature and the activation mechanisms of solute transporters in extremophiles, and this review summarizes current knowledge on the structure, function and osmo- or salt-regulation of transporters for compatible solutes in extremophiles.

  13. Electrofuels: Versatile Transportation Energy Solutions

    SciTech Connect

    2010-07-01

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

  14. Can Solution Supersaturation Affect Protein Crystal Quality?

    NASA Technical Reports Server (NTRS)

    Gorti, Sridhar

    2013-01-01

    The formation of large protein crystals of "high quality" is considered a characteristic manifestation of microgravity. The physical processes that predict the formation of large, high quality protein crystals in the microgravity environment of space are considered rooted in the existence of a "depletion zone" in the vicinity of crystal. Namely, it is considered reasonable that crystal quality suffers in earth-grown crystals as a result of the incorporation of large aggregates, micro-crystals and/or large molecular weight "impurities", processes which are aided by density driven convective flow or mixing at the crystal-liquid interface. Sedimentation and density driven convection produce unfavorable solution conditions in the vicinity of the crystal surface, which promotes rapid crystal growth to the detriment of crystal size and quality. In this effort, we shall further present the hypothesis that the solution supersaturatoin at the crystal surface determines the growth mechanism, or mode, by which protein crystals grow. It is further hypothesized that protein crystal quality is affected by the mechanism or mode of crystal growth. Hence the formation of a depletion zone in microgravity environment is beneficial due to inhibition of impurity incorporatoin as well as preventing a kinetic roughening transition. It should be noted that for many proteins the magnitude of neither protein crystal growth rates nor solution supersaturation are predictors of a kinetic roughening transition. That is, the kinetic roughening transition supersaturation must be dtermined for each individual protein.

  15. Osmotic Transport across Cell Membranes in Nondilute Solutions: A New Nondilute Solute Transport Equation

    PubMed Central

    Elmoazzen, Heidi Y.; Elliott, Janet A.W.; McGann, Locksley E.

    2009-01-01

    The fundamental physical mechanisms of water and solute transport across cell membranes have long been studied in the field of cell membrane biophysics. Cryobiology is a discipline that requires an understanding of osmotic transport across cell membranes under nondilute solution conditions, yet many of the currently-used transport formalisms make limiting dilute solution assumptions. While dilute solution assumptions are often appropriate under physiological conditions, they are rarely appropriate in cryobiology. The first objective of this article is to review commonly-used transport equations, and the explicit and implicit assumptions made when using the two-parameter and the Kedem-Katchalsky formalisms. The second objective of this article is to describe a set of transport equations that do not make the previous dilute solution or near-equilibrium assumptions. Specifically, a new nondilute solute transport equation is presented. Such nondilute equations are applicable to many fields including cryobiology where dilute solution conditions are not often met. An illustrative example is provided. Utilizing suitable transport equations that fit for two permeability coefficients, fits were as good as with the previous three-parameter model (which includes the reflection coefficient, σ). There is less unexpected concentration dependence with the nondilute transport equations, suggesting that some of the unexpected concentration dependence of permeability is due to the use of inappropriate transport equations. PMID:19348741

  16. Analytical Solution for Reactive Solute Transport Considering Incomplete Mixing

    NASA Astrophysics Data System (ADS)

    Bellin, A.; Chiogna, G.

    2013-12-01

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

  17. Multilevel transport solution of LWR reactor cores

    SciTech Connect

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

    2008-09-01

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

  18. Linear transport models for adsorbing solutes

    NASA Astrophysics Data System (ADS)

    Roth, K.; Jury, W. A.

    1993-04-01

    A unified linear theory for the transport of adsorbing solutes through soils is presented and applied to analyze movement of napropamide through undisturbed soil columns. The transport characteristics of the soil are expressed in terms of the travel time distribution of the mobile phase which is then used to incorporate local interaction processes. This approach permits the analysis of all linear transport processes, not only the small subset for which a differential description is known. From a practical point of view, it allows the direct use of measured concentrations or fluxes of conservative solutes to characterize the mobile phase without first subjecting them to any model. For complicated flow regimes, this may vastly improve the identification of models and estimation of their parameters for the local adsorption processes.

  19. Numerical solution of the electron transport equation

    NASA Astrophysics Data System (ADS)

    Woods, Mark

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

  20. Solute Transport in Unsaturated Sphagnum Mosses

    NASA Astrophysics Data System (ADS)

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

    2009-05-01

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

  1. Probing Nanoscale Thermal Transport in Surfactant Solutions.

    PubMed

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

    2015-01-01

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

  2. Probing Nanoscale Thermal Transport in Surfactant Solutions.

    PubMed

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

    2015-11-04

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

  3. Probing Nanoscale Thermal Transport in Surfactant Solutions

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

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

  4. Probing Nanoscale Thermal Transport in Surfactant Solutions

    PubMed Central

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

    2015-01-01

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

  5. Solute transport along preferential flow paths in unsaturated fractures

    USGS Publications Warehouse

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

    2001-01-01

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

  6. Conditions and processes affecting radionuclide transport

    USGS Publications Warehouse

    Simmons, Ardyth M.; Neymark, Leonid A.

    2012-01-01

    Understanding of unsaturated-zone transport is based on laboratory and field-scale experiments. Fractures provide advective transport pathways. Sorption and matrix diffusion may contribute to retardation of radionuclides. Conversely, sorption onto mobile colloids may enhance radionuclide transport.

  7. TRANSPORT OF REACTING SOLUTES SUBJECT TO A MOVING DISSOLUTION BOUNDARY: NUMERICAL METHODS AND SOLUTIONS.

    USGS Publications Warehouse

    Willis, Catherine; Rubin, Jacob

    1987-01-01

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

  8. 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...

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

    USGS Publications Warehouse

    Singha, Kamini; Li, Li; Day-Lewis, Frederick D.; Regberg, Aaron B.

    2012-01-01

    The concept of a nonreactive or conservative tracer, commonly invoked in investigations of solute transport, requires additional study in the context of electrical geophysical monitoring. Tracers that are commonly considered conservative may undergo reactive processes, such as ion exchange, thus changing the aqueous composition of the system. As a result, the measured electrical conductivity may reflect not only solute transport but also reactive processes. We have evaluated the impacts of ion exchange reactions, rate-limited mass transfer, and surface conduction on quantifying tracer mass, mean arrival time, and temporal variance in laboratory-scale column experiments. Numerical examples showed that (1) ion exchange can lead to resistivity-estimated tracer mass, velocity, and dispersivity that may be inaccurate; (2) mass transfer leads to an overestimate in the mobile tracer mass and an underestimate in velocity when using electrical methods; and (3) surface conductance does not notably affect estimated moments when high-concentration tracers are used, although this phenomenon may be important at low concentrations or in sediments with high and/or spatially variable cation-exchange capacity. In all cases, colocated groundwater concentration measurements are of high importance for interpreting geophysical data with respect to the controlling transport processes of interest.

  10. A quasilinear model for solute transport under unsaturated flow

    SciTech Connect

    Houseworth, J.E.; Leem, J.

    2009-05-15

    We developed an analytical solution for solute transport under steady-state, two-dimensional, unsaturated flow and transport conditions for the investigation of high-level radioactive waste disposal. The two-dimensional, unsaturated flow problem is treated using the quasilinear flow method for a system with homogeneous material properties. Dispersion is modeled as isotropic and is proportional to the effective hydraulic conductivity. This leads to a quasilinear form for the transport problem in terms of a scalar potential that is analogous to the Kirchhoff potential for quasilinear flow. The solutions for both flow and transport scalar potentials take the form of Fourier series. The particular solution given here is for two sources of flow, with one source containing a dissolved solute. The solution method may easily be extended, however, for any combination of flow and solute sources under steady-state conditions. The analytical results for multidimensional solute transport problems, which previously could only be solved numerically, also offer an additional way to benchmark numerical solutions. An analytical solution for two-dimensional, steady-state solute transport under unsaturated flow conditions is presented. A specific case with two sources is solved but may be generalized to any combination of sources. The analytical results complement numerical solutions, which were previously required to solve this class of problems.

  11. Innovative Solutions to Challenges in Pupil Transportation.

    ERIC Educational Resources Information Center

    Ross, Jonathan; Burkybile, Sharon

    2000-01-01

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

  12. Rapid solute transport in the peritoneum: physiologic and clinical consequences.

    PubMed

    Cueto-Manzano, Alfonso M

    2009-02-01

    This review focuses on the physiologic and clinical consequences of rapid solute transport in the peritoneum. The concept, the current understanding of related factors, and the possible causes implicated in rapid solute transport are discussed first. Then, the consequences, with particular emphasis on mortality, are highlighted. Finally, based on recent advances and clinical studies, some strategies for the treatment of fast peritoneal transport are reviewed.

  13. Solute transport scales in an unsaturated stony soil

    NASA Astrophysics Data System (ADS)

    Coppola, Antonio; Comegna, Alessandro; Dragonetti, Giovanna; Dyck, Miles; Basile, Angelo; Lamaddalena, Nicola; Kassab, Mohamed; Comegna, Vincenzo

    2011-06-01

    Solute transport parameters are known to be scale-dependent due mainly to the increasing scale of heterogeneities with transport distance and with the lateral extent of the transport field examined. Based on a transect solute transport experiment, in this paper we studied this scale dependence by distinguishing three different scales with different homogeneity degrees of the porous medium: the observation scale, transport scale and transect scale. The main objective was to extend the approach proposed by van Wesenbeeck and Kachanoski to evaluating the role of textural heterogeneities on the transition from the observation scale to the transport scale. The approach is based on the scale dependence of transport moments estimated from solute concentrations distributions. In our study, these moments were calculated starting from time normalized resident concentrations measured by time domain reflectometry (TDR) probes at three depths in 37 soil sites 1 m apart along a transect during a steady state transport experiment. The Generalized Transfer Function (GTF) was used to describe the evolution of apparent solute spreading along the soil profile at each observation site by analyzing the propagation of the moments of the concentration distributions. Spectral analysis was used to quantify the relationship between the solid phase heterogeneities (namely, texture and stones) and the scale dependence of the solute transport parameters. Coupling the two approaches allowed us to identify two different transport scales (around 4-5 m and 20 m, respectively) mainly induced by the spatial pattern of soil textural properties. The analysis showed that the larger transport scale is mainly determined by the skeleton pattern of variability. Our analysis showed that the organization in hierarchical levels of soil variability may have major effects on the differences between solute transport behavior at transport scale and transect scale, as the transect scale parameters will include

  14. Biological solutions to transport network design.

    PubMed

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

    2007-09-22

    Transport networks are vital components of multicellular organisms, distributing nutrients and removing waste products. Animal and plant transport systems are branching trees whose architecture is linked to universal scaling laws in these organisms. In contrast, many fungi form reticulated mycelia via the branching and fusion of thread-like hyphae that continuously adapt to the environment. Fungal networks have evolved to explore and exploit a patchy environment, rather than ramify through a three-dimensional organism. However, there has been no explicit analysis of the network structures formed, their dynamic behaviour nor how either impact on their ecological function. Using the woodland saprotroph Phanerochaete velutina, we show that fungal networks can display both high transport capacity and robustness to damage. These properties are enhanced as the network grows, while the relative cost of building the network decreases. Thus, mycelia achieve the seemingly competing goals of efficient transport and robustness, with decreasing relative investment, by selective reinforcement and recycling of transport pathways. Fungal networks demonstrate that indeterminate, decentralized systems can yield highly adaptive networks. Understanding how these relatively simple organisms have found effective transport networks through a process of natural selection may inform the design of man-made networks. PMID:17623638

  15. Biological solutions to transport network design.

    PubMed

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

    2007-09-22

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

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

    NASA Technical Reports Server (NTRS)

    Schmalstig, J. G.; Cosgrove, D. J.

    1990-01-01

    As cells expand and are displaced through the elongation zone of the epicotyl of etiolated pea (Pisum sativum L. var Alaska) seedlings, there is little net dilution of the cell sap, implying a coordination between cell expansion and solute uptake from the phloem. Using [14C] sucrose as a phloem tracer (applied to the hypogeous cotyledons), the pattern of label accumulation along the stem closely matched the growth rate pattern: high accumulation in the growing zone, little accumulation in nongrowing regions. Several results suggest that a major portion of phloem contents enters elongating cells through the symplast. We propose that the coordination between phloem transport and cell expansion is accomplished via regulatory pathways affecting both plasmodesmata conductivity and cell expansion.

  17. Transport of Organic Solutes in Clay Formations

    EPA Science Inventory

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

  18. Ceramics for transportation engines - siren or solution

    SciTech Connect

    Myers, P.S.

    1989-03-01

    This paper first reviews the challenges facing transportation engines, particularly cyclic-combustion engines (CCE), which, in numbers, bear the major burden of providing both personal and commercial transportation for mankind. While challenges are not new to CCE, it is imperative that answers be found to these challenges both for the welfare of society and for the survival of CCE. As background for understanding possible answers to these challenges and the part that new materials will play in meeting these challenges, this paper will try to summarize our new and increased understanding of the basic structure of matter. This understanding is essential to comprehending the relationship between atomic and molecular structure, microscopic structure, material processing, and the properties of the resulting materials. The paper will then try to summarize the state of knowledge concerning the use of an old but new material, ceramics, in meeting the challenges faced by cyclic-combustion engines.

  19. Charge effect on solute transport across a periodic fiber array

    NASA Astrophysics Data System (ADS)

    Sugihara-Seki, Masako; Akinaga, Takeshi; O-Tani, Hideyuki

    2011-11-01

    The luminal surface of vascular endothelial cells is covered by a fiber matrix layer referred to as the glycocalyx layer, and charge carried by the glycocalyx layer has been shown to significantly modulate the permeability of the microvessel wall to charged solutes. The present study is aimed to develop a fluid mechanical and electrostatic model for the transport of charged solutes across the glycocalyx layer and to examine the charge effect on the rate of diffusional and convectional transport of the solute. The glycocalyx layer was assumed to consist of identical circular cylinders with fixed surface charge, aligned parallel to each other in a hexagonal arrangement. For a spherical solute with fixed surface charge suspended in an electrolyte solution between circular cylinders, fluid mechanical and electrostatic analyses were carried out to calculate the flow field as well as the electric field around the solute to estimate the rate of solute transport across the layer. It was found that even at rather large ion concentrations, the repulsive electrostatic interaction between the solute and cylinder of like charge could significantly reduce the transport rate of the solute.

  20. Field scale solute transport in spatially variable soils

    SciTech Connect

    Nedunuri, S.; Govindaraju, R.S.

    1994-12-31

    Spatial variability exhibited by many field soils necessitates the use of stochastic methods for prediction of average solute movement. Data from a field experiment were analyzed to characterize the random nature of the velocity and dispersion of solute (potassium bromide) in field scale vertical transport experiments. Solute concentrations were measured at over fifty spatial locations and at six depths within the soil. The analysis indicates that solute velocities at deeper soil layers exhibit a statistically homogeneous behavior. Dispersion was determined from breakthrough curves using a standard nonlinear regression model. These results will be presented, and the implications of modeling average solute behavior will be discussed.

  1. Analytic solution of a five-direction radiation transport model

    SciTech Connect

    Cramer, S.N.

    1988-01-01

    In order to test certain spatial and angular dependent Monte Carlo biasing techniques, a one-dimensional, one energy, two-media, five-direction radiation transport model has been devised for which an analytic solution exists. Although this solution is too long to be conveniently expressed in an explicit form, it can be easily evaluated on the smallest of computers. This solution is discussed in this paper. 1 ref.

  2. Benthic processes affecting contaminant transport in Upper Klamath Lake, Oregon

    USGS Publications Warehouse

    Kuwabara, James S.; Topping, Brent R.; Carter, James L.; Carlson, Rick A; Parchaso, Francis; Fend, Steven V.; Stauffer-Olsen, Natalie; Manning, Andrew J.; Land, Jennie M.

    2016-09-30

    Executive SummaryMultiple sampling trips during calendar years 2013 through 2015 were coordinated to provide measurements of interdependent benthic processes that potentially affect contaminant transport in Upper Klamath Lake (UKL), Oregon. The measurements were motivated by recognition that such internal processes (for example, solute benthic flux, bioturbation and solute efflux by benthic invertebrates, and physical groundwater-surface water interactions) were not integrated into existing management models for UKL. Up until 2013, all of the benthic-flux studies generally had been limited spatially to a number of sites in the northern part of UKL and limited temporally to 2–3 samplings per year. All of the benthic invertebrate studies also had been limited to the northern part of the lake; however, intensive temporal (weekly) studies had previously been completed independent of benthic-flux studies. Therefore, knowledge of both the spatial and temporal variability in benthic flux and benthic invertebrate distributions for the entire lake was lacking. To address these limitations, we completed a lakewide spatial study during 2013 and a coordinated temporal study with weekly sampling of benthic flux and benthic invertebrates during 2014. Field design of the spatially focused study in 2013 involved 21 sites sampled three times as the summer cyanobacterial bloom developed (that is, May 23, June 13, and July 3, 2013). Results of the 27-week, temporally focused study of one site in 2014 were summarized and partitioned into three periods (referred to herein as pre-bloom, bloom and post-bloom periods), each period involving 9 weeks of profiler deployments, water column and benthic sampling. Partitioning of the pre-bloom, bloom, and post-bloom periods were based on water-column chlorophyll concentrations and involved the following date intervals, respectively: April 15 through June 10, June 17 through August 13, and August 20 through October 16, 2014. To examine

  3. Analytical solution for phonon transport across thin films

    NASA Astrophysics Data System (ADS)

    Yilbas, Bekir S.; Al-Dweik, Ahmed Y.; Mansoor, Saad Bin

    2013-12-01

    The numerical solution of the Boltzmann equation for the thin film applications requires extensive computational power. An analytical solution to the phonon transport equation is fruitful in order to reduce the computational effort and cost. In the present study, an analytical solution for the phonon radiative transport equation in thin film is carried out. The analytical treatment of the problem reduces the two identical radiative transport equations to Fredholm integral equation of the second kind. The resulting phonon intensity data are presented in terms of the dimensionless temperature across the gray thin films of silicon and diamond. The findings are compared with their counterparts predicted from the numerical simulations. The study is extended to include the effect of the film thickness on the dimensionless temperature distribution. It is found that the analytical solution for temperature agrees well with the numerical predictions. Reducing the film thickness increases the temperature jump at the film edges, which is more pronounced for the diamond film.

  4. Solute transport with equilibrium aqueous complexation and either sorption or ion exchange: Simulation methodology and applications

    USGS Publications Warehouse

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

    1987-01-01

    Methodologies that account for specific types of chemical reactions in the simulation of solute transport can be developed so they are compatible with solution algorithms employed in existing transport codes. This enables the simulation of reactive transport in complex multidimensional flow regimes, and provides a means for existing codes to account for some of the fundamental chemical processes that occur among transported solutes. Two equilibrium-controlled reaction systems demonstrate a methodology for accommodating chemical interaction into models of solute transport. One system involves the sorption of a given chemical species, as well as two aqueous complexations in which the sorbing species is a participant. The other reaction set involves binary ion exchange coupled with aqueous complexation involving one of the exchanging species. The methodology accommodates these reaction systems through the addition of nonlinear terms to the transport equations for the sorbing species. Example simulation results show (1) the effect equilibrium chemical parameters have on the spatial distributions of concentration for complexing solutes; (2) that an interrelationship exists between mechanical dispersion and the various reaction processes; (3) that dispersive parameters of the porous media cannot be determined from reactive concentration distributions unless the reaction is accounted for or the influence of the reaction is negligible; (4) how the concentration of a chemical species may be significantly affected by its participation in an aqueous complex with a second species which also sorbs; and (5) that these coupled chemical processes influencing reactive transport can be demonstrated in two-dimensional flow regimes. ?? 1987.

  5. Molecular modeling and ligand docking for solute carrier (SLC) transporters.

    PubMed

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

    2013-01-01

    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.

  6. Solute transport mechanism during liquid phase epitaxial (LPE) growth with an applied current

    NASA Astrophysics Data System (ADS)

    Takenaka, Chisato; Kusunoki, Toshihiro; Nakajima, Kazuo

    1991-11-01

    The mechanism of the acceleration of solute transport is studied by passing an electric current through a solution during LPE. The amount of InP dissolved in the solution while a current was applied was measured. The current's magnitude and frequency were varied and the heater current's waveform was changed. It was found that the solute dissolved faster when the combination of the solution current and the heater coil current was either 50 Hz ac/50 Hz ac or dc/dc pulse. This indicates that the solute movement is affected by the Lorentz force generated by the current passing through the solution and the magnetic field produced in the heater coil. It is concluded that the accelerated dissolution of InP is attributed to the dynamic movement of solution by the Lorentz effect.

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

    SciTech Connect

    Lichtner, Peter C.

    2015-09-01

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

  8. Semianalytical solutions of radioactive or reactive transport invariably-fractured layered media: 1. Solutes

    SciTech Connect

    Moridis, George J.

    2001-10-10

    In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive solute tracers through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the non-flowing matrix account for (a) diffusion, (b) surface diffusion, (c) mass transfer between the mobile and immobile water fractions, (d) linear kinetic or equilibrium physical, chemical, or combined solute sorption or colloid filtration, and (e) radioactive decay or first-order chemical reactions. The tracer-transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of {sup 3}H, {sup 237}Np and {sup 239}Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity.

  9. Insights into non-Fickian solute transport in carbonates

    PubMed Central

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

    2013-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

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

  11. 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...

  12. Solute transport in eroded and rehabilitated prairie landforms. 1. Nonreactive solute.

    PubMed

    Papiernik, Sharon K; Koskinen, William C; Yates, Scott R

    2009-08-26

    Information regarding solute and water transport as affected by soil properties, topography, and climatic conditions is required to improve and validate transport models. This study evaluated the dissipation of bromide applied to the soil surface in the fall and spring to undisturbed (eroded) and rehabilitated landforms, in which topsoil was moved from depositional areas to the eroded upper slope. Despite large changes in soil properties, the amount and center of mass of bromide remaining in the top 1 m of soil was the same in undisturbed and rehabilitated plots. Approximately 60% of the fall-applied bromide was lost during the winter and early spring, presumably due to leaching and runoff. The center of mass of spring-applied bromide remained at depths of <30 cm. At the end of the experiment, 33% of the spring-applied bromide was detected in soil and 56% in corn plants. These results suggest that little bromide was leached out of the root zone in the spring and that plant uptake was a major route of bromide dissipation during the growing season. PMID:19653694

  13. Semianalytical solutions of radioactive or reactive solute transport in variably fractured layered media

    NASA Astrophysics Data System (ADS)

    Moridis, George J.

    2002-12-01

    In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive solute tracers through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the nonflowing matrix account for (1) diffusion, (2) surface diffusion, (3) mass transfer between mobile and immobile water fractions, (4) linear kinetic or equilibrium physical, chemical, or combined sorption or colloid filtration, and (5) radioactive decay or first-order chemical reactions. The tracer transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical and numerical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of 3H, 99Tc, 237Np, and 239Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity.

  14. Influence of surfactants on unsaturated water flow and solute transport

    NASA Astrophysics Data System (ADS)

    Karagunduz, Ahmet; Young, Michael H.; Pennell, Kurt D.

    2015-04-01

    Surfactants can reduce soil water retention by changing the surface tension of water and the contact angle between the liquid and solid phases. As a result, water flow and solute transport in unsaturated soil may be altered in the presence of surfactants. In this study, the effects of a representative nonionic surfactant, Triton X-100, on coupled water flow and nonreactive solute transport during unsaturated flow conditions were evaluated. Batch reactor experiments were conducted to measure the surfactant sorption characteristics, while unsaturated transport experiments were performed in columns packed with 40-270 mesh Ottawa sand at five initial water contents. Following the introduction of surfactant solution, the rate of water percolation through the sand increased; however, this period of rapid water drainage was followed by decreased water percolation due to the reduction in soil water content and the corresponding decrease in unsaturated hydraulic conductivity behind the surfactant front. The observed changes in water percolation occurred sequentially, and resulted in faster nonreactive solute transport than was observed in the absence of surfactant. A one-dimensional mathematical model accurately described coupled water flow, surfactant, and solute transport under most experimental conditions. Differences between model predictions and experimental data were observed in the column study performed at the lowest water content (0.115 cm3/cm3), which was attributed to surfactant adsorption at the air-water interface. These findings demonstrate the potential influence of surfactants additives on unsaturated water flow and solute transport in soils, and demonstrate a methodology to couple these processes in a predictive modeling tool.

  15. 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.

  16. Benthic processes affecting contaminant transport in Upper Klamath Lake, Oregon

    USGS Publications Warehouse

    Kuwabara, James S.; Topping, Brent R.; Carter, James L.; Carlson, Rick A; Parchaso, Francis; Fend, Steven V.; Stauffer-Olsen, Natalie; Manning, Andrew J.; Land, Jennie M.

    2016-09-30

    Executive SummaryMultiple sampling trips during calendar years 2013 through 2015 were coordinated to provide measurements of interdependent benthic processes that potentially affect contaminant transport in Upper Klamath Lake (UKL), Oregon. The measurements were motivated by recognition that such internal processes (for example, solute benthic flux, bioturbation and solute efflux by benthic invertebrates, and physical groundwater-surface water interactions) were not integrated into existing management models for UKL. Up until 2013, all of the benthic-flux studies generally had been limited spatially to a number of sites in the northern part of UKL and limited temporally to 2–3 samplings per year. All of the benthic invertebrate studies also had been limited to the northern part of the lake; however, intensive temporal (weekly) studies had previously been completed independent of benthic-flux studies. Therefore, knowledge of both the spatial and temporal variability in benthic flux and benthic invertebrate distributions for the entire lake was lacking. To address these limitations, we completed a lakewide spatial study during 2013 and a coordinated temporal study with weekly sampling of benthic flux and benthic invertebrates during 2014. Field design of the spatially focused study in 2013 involved 21 sites sampled three times as the summer cyanobacterial bloom developed (that is, May 23, June 13, and July 3, 2013). Results of the 27-week, temporally focused study of one site in 2014 were summarized and partitioned into three periods (referred to herein as pre-bloom, bloom and post-bloom periods), each period involving 9 weeks of profiler deployments, water column and benthic sampling. Partitioning of the pre-bloom, bloom, and post-bloom periods were based on water-column chlorophyll concentrations and involved the following date intervals, respectively: April 15 through June 10, June 17 through August 13, and August 20 through October 16, 2014. To examine

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

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

  18. Modeling solute/contaminant transport in heterogeneous aquifers.

    PubMed

    Kocabas, Ibrahim; Bulbul, Mahmut

    2015-03-01

    A fissured aquifer may be considered as a dense network of fissures separated by low permeability matrix blocks. A conceptual modeling of such a system consists of an infinite number of parallel fractures separated by constant width matrix slabs. While the fissures are assumed to be main flow conduits, the fluid in the porous matrix blocks are considered to be virtually immobile. The mathematical model of the transport of a solute and/or contaminant which assumes a purely convective flow in fissures and diffusion into the matrix blocks consists of two coupled differential equations. An analytical solution of this model for the case of solute entering into the system at a constant concentration has been presented by Skopp and Warrick in Soil Sci Soc Am Proc 38:545-550, 1974. Note however, Skopp and Warrick (Soil Sci Soc Am Proc 38:545-550, 1974) have not considered the additional processes of adsorption and radioactive decay. Unfortunately, their solution had computational limitations as it involved numerical integration of a quite complex expression. Therefore, one had to turn to employing numerical Laplace transform inverters to compute the solutions. This work presents simple real space analytical solutions for the contaminant transport model described above including the adsorption and radioactive decay. The real space solutions have been developed using the method of double Laplace transform and binomial series approximation. An accurate approximate solution has also been presented which converges to the exact solution only after computing three terms in the series full solution. The developed model has been used for 1) assessment of the efficiency of numerical Laplace transform algorithms and 2) investigation of the degree and scale of contamination, and 3) designing remediation schemes for the already contaminated aquifers.

  19. Effect of proteolytic enzymes on transepithelial solute transport

    SciTech Connect

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

    1986-10-01

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

  20. A Data-Driven Approach for Upscaling Solute Transport Models

    NASA Astrophysics Data System (ADS)

    Hill, D. J.

    2004-12-01

    The goal of this study is to use a machine learning tool, genetic programming (GP), a domain independent model generator, to search for an upscaled hydrologic model. The development of upscaled models of hydrologic processes has long been a concern of researchers, because computational limitations prevent the use of high-resolution models capable of resolving all of the spatial variability of model domains. In particular, researchers have struggled for decades to develop upscaled numerical models for solute transport in porous media, where the scale of variability can range from the order of a few meters in the horizontal direction but only ten to twenty centimeters in the vertical direction. A wide variety of methods have been employed to develop upscaled solute transport models, including stochastic analysis, spatial filtering, and homogenization. However, these methods all rely upon various simplifying assumptions (e.g. small conductivity variance, a grid-scale significantly larger than the largest scale of heterogeneity). Moreover, these methods usually make additional assumptions about the physics of the sub-grid processes. This study examines the use of GP to search for an upscaled model of transport of a solute pulse by horizontal flow in a perfectly stratified aquifer. GP was chosen because it creates mathematical models of input data from which information about the underlying physical processes can be extracted. This type of transport system was selected as the first application of the proposed upscaling method, because it has been extensively studied in the literature, and thus will allow for a direct comparison that will demonstrate the efficacy of the data-driven upscaling method. It has been suggested that if the upscaled model domain of this type of system is a depth averaged representation of the aquifer, the plume evolution can be modeled in a Lagrangian coordinate system as a Fickian dispersive process with a time dependent dispersion coefficient

  1. Continuous time random walk analysis of solute transport in fractured porous media

    SciTech Connect

    Cortis, Andrea; Cortis, Andrea; Birkholzer, Jens

    2008-06-01

    The objective of this work is to discuss solute transport phenomena in fractured porous media, where the macroscopic transport of contaminants in the highly permeable interconnected fractures can be strongly affected by solute exchange with the porous rock matrix. We are interested in a wide range of rock types, with matrix hydraulic conductivities varying from almost impermeable (e.g., granites) to somewhat permeable (e.g., porous sandstones). In the first case, molecular diffusion is the only transport process causing the transfer of contaminants between the fractures and the matrix blocks. In the second case, additional solute transfer occurs as a result of a combination of advective and dispersive transport mechanisms, with considerable impact on the macroscopic transport behavior. We start our study by conducting numerical tracer experiments employing a discrete (microscopic) representation of fractures and matrix. Using the discrete simulations as a surrogate for the 'correct' transport behavior, we then evaluate the accuracy of macroscopic (continuum) approaches in comparison with the discrete results. However, instead of using dual-continuum models, which are quite often used to account for this type of heterogeneity, we develop a macroscopic model based on the Continuous Time Random Walk (CTRW) framework, which characterizes the interaction between the fractured and porous rock domains by using a probability distribution function of residence times. A parametric study of how CTRW parameters evolve is presented, describing transport as a function of the hydraulic conductivity ratio between fractured and porous domains.

  2. Simulation of transportation of low enriched uranium solutions

    SciTech Connect

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

    1996-08-01

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

  3. Modeling reactive geochemical transport of concentrated aqueous solutions

    NASA Astrophysics Data System (ADS)

    Zhang, Guoxiang; Zheng, Zuoping; Wan, Jiamin

    2005-02-01

    Aqueous solutions with ionic strength larger than 1 M are usually considered concentrated aqueous solutions. These solutions can be found in some natural systems and are also industrially produced and released into accessible natural environments, and as such, they pose a big environmental problem. Concentrated aqueous solutions have unique thermodynamic and physical properties. They are usually strongly acidic or strongly alkaline, with the ionic strength possibly reaching 30 M or higher. Chemical components in such solutions are incompletely dissociated. The thermodynamic activities of both ionic and molecular species in these solutions are determined by the ionic interactions. In geological media the problem is further complicated by the interactions between the solutions and sediments and rocks. The chemical composition of concentrated aqueous solutions when migrating through the geological media may be drastically altered by these strong fluid-rock interactions. To effectively model reactive transport of concentrated aqueous solutions, we must take into account the ionic interactions. For this purpose we substantially extended an existing reactive transport code, BIO-CORE2D©, by incorporating a Pitzer ion interaction model to calculate the ionic activity. In the present paper, the model and two test cases of the model are briefly introduced. We also simulate a laboratory column experiment in which the leakage of highly alkaline waste fluid stored at Hanford (a U.S. Department of Energy site, located in Washington State) was studied. Our simulation captures the measured pH evolution and indicates that all the reactions controlling the pH evolution, including cation exchanges and mineral dissolution/precipitation, are coupled.

  4. Conservative and reactive solute transport in constructed wetlands

    USGS Publications Warehouse

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

    2004-01-01

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

  5. Scaling and predicting solute transport processes in streams

    NASA Astrophysics Data System (ADS)

    GonzáLez-Pinzón, Ricardo; Haggerty, Roy; Dentz, Marco

    2013-07-01

    We investigated scaling of conservative solute transport using temporal moment analysis of 98 tracer experiments (384 breakthrough curves) conducted in 44 streams located on five continents. The experiments span 7 orders of magnitude in discharge (10-3 to 103 m3/s), span 5 orders of magnitude in longitudinal scale (101 to 105 m), and sample different lotic environments—forested headwater streams, hyporheic zones, desert streams, major rivers, and an urban manmade channel. Our meta-analysis of these data reveals that the coefficient of skewness is constant over time (CSK =1.18±0.08, R2>0.98). In contrast, the CSK of all commonly used solute transport models decreases over time. This shows that current theory is inconsistent with experimental data and suggests that a revised theory of solute transport is needed. Our meta-analysis also shows that the variance (second normalized central moment) is correlated with the mean travel time (R2>0.86), and the third normalized central moment and the product of the first two are very strongly correlated (R2>0.96). These correlations were applied in four different streams to predict transport based on the transient storage and the aggregated dead zone models, and two probability distributions (Gumbel and log normal).

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

    NASA Astrophysics Data System (ADS)

    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.

  7. Generic transport coefficients of a confined electrolyte solution.

    PubMed

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

    2014-11-01

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

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

    USGS Publications Warehouse

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

    2006-01-01

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

  9. Generic transport coefficients of a confined electrolyte solution

    NASA Astrophysics Data System (ADS)

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

    2014-11-01

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

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

    PubMed

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

    2006-05-30

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

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

    USGS Publications Warehouse

    Robson, Stanley G.; Saulnier, George J.

    1980-01-01

    Oil-shale mining activities in Piceance basin in northwestern Colorado could adversely affect the ground- and surface-water quality in the basin. This study of the hydrology and geochemistry of the area used groundwater solute-transport-modeling techniques to investigate the possible impact of the mines on water quality. Maps of the extent and structure of the aquifer were prepared and show that a saturated thickness of 2,000 feet occurs in the northeast part of the basin. Ground-water recharge in the upland areas in the east, south, and west parts of the basin moves down into deeper zones in the aquifer and laterally to the discharge areas along Piceance and Yellow Creeks. The saline zone and the unsaturated zone provide the majority of the dissolved solids found in the ground water. Precipitation, ion-exchange, and oxidation-reduction reactions are also occurring in the aquifer. Model simulations of groundwater pumpage in tracts C-a and C-b indicate that the altered direction of groundwater movement near the pumped mines will cause an improvement in groundwater quality near the mines and a degradation of water quality downgradient from the tracts. Model simulations of mine leaching in tract C-a and C-b indicate that equal rates of mine leaching in the tracts will produce much different effects on the water quality in the basin. Tract C-a, by virtue of its remote location from perennial streams, will primarily degrade the groundwater quality over a large area to the northeast of the tract. Tract C-b, by contrast, will primarily degrade the surface-water quality in Piceance Creek, with only localized effects on the groundwater quality. (USGS)

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

    USGS Publications Warehouse

    Robson, S.G.; Saulnier, G.J.

    1981-01-01

    Oil-shale mining activities in Piceance basin in northwestern Colorado could adversely affect the ground- and surface-water quality in the basin. This study of the hydrology and geochemistry of the area used ground-water solute-transport-modeling techniques to investigate the possible impact of the mines on water quality. Maps of the extent and structure of the aquifer were prepared and show that a saturated thickness of 2,000 feet occurs in the northeast part of the basin. Ground-water recharge in the upland areas in the east, south, and west parts of the basin moves down into deeper zones in the aquifer and laterally to the discharge areas along Piceance and Yellow Creeks. The saline zone and the unsaturated zone provide the majority of the dissolved solids found in the ground water. Precipitation, ion-exchange, and oxidation-reduction reactions are also occuring in the aquifer. Model simulations of ground-water pumpage in tracts C-a and C-b indicate that the altered direction of ground-water movement near the pumped mines will cause an improvement in ground-water quality near the mines and a degradation of water quality downgradient from the tracts. Model simulations of mine leaching in tract C-a and C-b indicate that equal rates of mine leaching in the tracts will produce much different effects on the water quality in the basin. Tract C-a, by virtue of its remote location from perennial streams, will primarily degrade the ground-water quality over a large area to the northeast of the tract. Tract C-b, by contrast, will primarily degrade the surface-water quality in Piceance Creek, with only localized effects on the ground-water quality. (USGS)

  13. Scaling and predicting solute transport processes in riverine ecosystems

    NASA Astrophysics Data System (ADS)

    Gonzalez-Pinzon, R.; Haggerty, R.; Camacho Botero, L. A.

    2012-12-01

    In the last three decades, research on solute transport and nutrient processing has revealed complex interactions between landscapes and stream ecosystems, and numerous attempts to scale and predict these processes have been primarily limited by the difficulty of measuring and extrapolating hydrodynamic and geomorphic characteristics. We hypothesize that there should be predictable patterns in the way that streams interact with their landscapes, because those interactions are in the form of energy, mass and momentum, which are conservative and interrelated properties. Therefore, despite local hydrogeomorphic characteristics define the actual extent of solute transport processes in a given riverine ecosystem, the physical imprints marked-up in breakthrough curves (BTCs) should have scaling properties. To evaluate our hypothesis we created an extensive database that includes 133 BTCs from conservative tracer experiments conducted under different hydrologic conditions (1 lt/s to 1197 m3/s), different experimental conditions (10s of meters to 10s of kilometers), different geographic positions (South and North America, Europe, Australia, Antarctica), and different types of lotic environments, i.e., urban manmade channels, forested headwater streams, desert-like streams, hyporheic wells, and major rivers. We investigated the existence of patterns in conservative solute transport using a model-independent approach, i.e., temporal moments of the histories of tracer experiments. Our results show that the normalized first absolute moment is correlated with the second and third moments with R2>0.99 for all riverine ecosystems. Most importantly, the first central temporal moment of the distributions (mean travel time) is correlated with the second (variance) with an R2>0.93, and the correlation between the second central moment and the third central moment (skewness) takes the form of the coefficient of skewness (CSK) with an R2>0.98, defining a statistically averaged CSK= 1

  14. EFFECTIVE POROSITY IMPLIES EFFECTIVE BULK DENSITY IN SORBING SOLUTE TRANSPORT

    SciTech Connect

    Flach, G.

    2012-02-27

    The concept of an effective porosity is widely used in solute transport modeling to account for the presence of a fraction of the medium that effectively does not influence solute migration, apart from taking up space. This non-participating volume or ineffective porosity plays the same role as the gas phase in single-phase liquid unsaturated transport: it increases pore velocity, which is useful towards reproducing observed solute travel times. The prevalent use of the effective porosity concept is reflected by its prominent inclusion in popular texts, e.g., de Marsily (1986), Fetter (1988, 1993) and Zheng and Bennett (2002). The purpose of this commentary is to point out that proper application of the concept for sorbing solutes requires more than simply reducing porosity while leaving other material properties unchanged. More specifically, effective porosity implies the corresponding need for an effective bulk density in a conventional single-porosity model. The reason is that the designated non-participating volume is composed of both solid and fluid phases, both of which must be neglected for consistency. Said another way, if solute does not enter the ineffective porosity then it also cannot contact the adjoining solid. Conceptually neglecting the fluid portion of the non-participating volume leads to a lower (effective) porosity. Likewise, discarding the solid portion of the non-participating volume inherently leads to a lower or effective bulk density. In the author's experience, practitioners virtually never adjust bulk density when adopting the effective porosity approach.

  15. 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.

  16. The antiepileptic drug phenytoin affects sodium transport in toad epithelium.

    PubMed

    Suwalsky, Mario; Mennickent, Sigrid; Norris, Beryl; Cárdenas, Hernan

    2006-01-01

    The effects of phenytoin on isolated Pleurodema thaul toad skin were investigated. Low (micromolar) concentrations of the antiepileptic agent applied to the outside surface of the toad epithelium increased the electrical parameters (short-circuit current and potential difference) by over 40%, reflecting stimulation of Na(+) transport, whereas higher (millimolar concentrations, outside and inside surface) decreased both electric parameters, the effect being greater at the inside surface (40% and 80% decrease, respectively). The amiloride test showed that the stimulatory effect was accompanied by an increase and the inhibitory effect by a decrease in the sodium electromotive force (ENa). It is concluded that the drug interaction with membrane lipid bilayers might result in a distortion of the lipid-protein interface contributing to disturbance of Na(+) epithelial channel activity. After applying the Na(+)-K(+)-ATPase blocker ouabain and replacing the Na(+) ions in the outer Ringer's solution by choline, it was concluded that both active and passive transport are involved in sodium absorption, although active transport predominates. PMID:16314149

  17. Scaling of geochemical reaction rates via advective solute transport.

    PubMed

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

    2015-07-01

    Transport in porous media is quite complex, and still yields occasional surprises. In geological porous media, the rate at which chemical reactions (e.g., weathering and dissolution) occur is found to diminish by orders of magnitude with increasing time or distance. The temporal rates of laboratory experiments and field observations differ, and extrapolating from laboratory experiments (in months) to field rates (in millions of years) can lead to order-of-magnitude errors. The reactions are transport-limited, but characterizing them using standard solute transport expressions can yield results in agreement with experiment only if spurious assumptions and parameters are introduced. We previously developed a theory of non-reactive solute transport based on applying critical path analysis to the cluster statistics of percolation. The fractal structure of the clusters can be used to generate solute distributions in both time and space. Solute velocities calculated from the temporal evolution of that distribution have the same time dependence as reaction-rate scaling in a wide range of field studies and laboratory experiments, covering some 10 decades in time. The present theory thus both explains a wide range of experiments, and also predicts changes in the scaling behavior in individual systems with increasing time and/or length scales. No other theory captures these variations in scaling by invoking a single physical mechanism. Because the successfully predicted chemical reactions include known results for silicate weathering rates, our theory provides a framework for understanding changes in the global carbon cycle, including its effects on extinctions, climate change, soil production, and denudation rates. It further provides a basis for understanding the fundamental time scales of hydrology and shallow geochemistry, as well as the basis of industrial agriculture. PMID:26232976

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

    EPA Science Inventory

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

  19. Comparison of approaches for predicting solute transport: sandbox experiments.

    PubMed

    Illman, Walter A; Berg, Steven J; Yeh, Tian-Chyi Jim

    2012-01-01

    The main purpose of this paper was to compare three approaches for predicting solute transport. The approaches include: (1) an effective parameter/macrodispersion approach (Gelhar and Axness 1983); (2) a heterogeneous approach using ordinary kriging based on core samples; and (3) a heterogeneous approach based on hydraulic tomography. We conducted our comparison in a heterogeneous sandbox aquifer. The aquifer was first characterized by taking 48 core samples to obtain local-scale hydraulic conductivity (K). The spatial statistics of these K values were then used to calculate the effective parameters. These K values and their statistics were also used for kriging to obtain a heterogeneous K field. In parallel, we performed a hydraulic tomography survey using hydraulic tests conducted in a dipole fashion with the drawdown data analyzed using the sequential successive linear estimator code (Yeh and Liu 2000) to obtain a K distribution (or K tomogram). The effective parameters and the heterogeneous K fields from kriging and hydraulic tomography were used in forward simulations of a dipole conservative tracer test. The simulated and observed breakthrough curves and their temporal moments were compared. Results show an improvement in predictions of drawdown behavior and tracer transport when the K tomogram from hydraulic tomography was used. This suggests that the high-resolution prediction of solute transport is possible without collecting a large number of small-scale samples to estimate flow and transport properties that are costly to obtain at the field scale.

  20. 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.

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

    SciTech Connect

    Lucchesi, K.J.

    1987-01-01

    Brain capillary permeability-surface area products (PS) of hydrophilic solutes ranging in size from 180 to 5,500 Daltons were measured in rats according to the method of Ohno, Pettigrew and Rapoport. The distribution volume of 70 KD dextran at 10 minutes after i.v. injection was also measured to determine the residual volume of blood in brain tissue at the time of sacrifice. Small test solutes were injected in pairs in order to elucidate whether their transfer into the brain proceeds by diffusion through water- or lipid-filled channels or by vesicular transport. This issue was examined in rats whose blood-brain barrier (BBB) was presumed to be intact (untreated) and in rats that received intracarotid infusions to open the BBB (isosmotic salt (ISS) and hyperosmolar arabinose). Ohno PS values of {sup 3}H-inulin and {sup 14}C-L-glucose in untreated rats were found to decrease as the labelling time was lengthened. This was evidence that a rapidly equilibrating compartment exists between blood and brain that renders the Ohno two-compartment model inadequate for computing true transfer rate constants. When the data were reanalyzed using a multi-compartment graphical analysis, solutes with different molecular radii were found to enter the brain at approximately equal rates. Furthermore, unidirectional transport is likely to be initiated by solute adsorption to a glycocalyx coat on the luminal surface of brain capillary endothelium. Apparently, more inulin than L-glucose was adsorbed, which may account for its slightly faster transfer across the BBB. After rats were treated with intracarotid infusions of ISS or hyperosmolar arabinose, solute PS values were significantly increased, but the ratio of PS for each of the solute pairs approached that of their free-diffusion coefficients.

  2. Biotic controls on solute distribution and transport in headwater catchments

    NASA Astrophysics Data System (ADS)

    Herndon, E. M.; Dere, A. L.; Sullivan, P. L.; Norris, D.; Reynolds, B.; Brantley, S. L.

    2015-01-01

    Solute concentrations in stream water vary with discharge in patterns that record complex feedbacks between hydrologic and biogeochemical processes. In a comparison of headwater catchments underlain by shale in Pennsylvania, USA (Shale Hills) and Wales, UK (Plynlimon), dissimilar concentration-discharge behaviors are best explained by contrasting landscape distributions of soil solution chemistry - especially dissolved organic carbon (DOC) - that have been established by patterns of vegetation. Specifically, elements that are concentrated in organic-rich soils due to biotic cycling (Mn, Ca, K) or that form strong complexes with DOC (Fe, Al) are spatially heterogeneous in pore waters because organic matter is heterogeneously distributed across the catchments. These solutes exhibit non-chemostatic "bioactive" behavior in the streams, and solute concentrations either decrease (Shale Hills) or increase (Plynlimon) with increasing discharge. In contrast, solutes that are concentrated in soil minerals and form only weak complexes with DOC (Na, Mg, Si) are spatially homogeneous in pore waters across each catchment. These solutes are chemostatic in that their stream concentrations vary little with stream discharge, likely because these solutes are released quickly from exchange sites in the soils during rainfall events. Differences in the hydrologic connectivity of organic-rich soils to the stream drive differences in concentration behavior between catchments. As such, in catchments where soil organic matter (SOM) is dominantly in lowlands (e.g., Shale Hills), bioactive elements are released to the stream early during rainfall events, whereas in catchments where SOM is dominantly in uplands (e.g., Plynlimon), bioactive elements are released later during rainfall events. The distribution of vegetation and SOM across the landscape is thus a key component for predictive models of solute transport in headwater catchments.

  3. Water and Solute Connectivity in Northern Peatlands of Minnesota; Assessing How Hydrological Connectivity Affects Solute Yields from Peatland Catchments and Responds to Climate Change

    NASA Astrophysics Data System (ADS)

    Sebestyen, S. D.; Griffiths, N.

    2014-12-01

    The routing of water, whether along lateral, near-surface flowpaths or vertically through peatlands, has profound implications for solute transport and budgets. Climate change, by altering hydrological connectivity of peatlands to surface and subsurface flow systems, may feedback on how various flowpaths and biogeochemical transformations affect solute concentrations in receiving waters. Such fundamental ecosystem changes may ultimately lead to shifts in solute yields from peatland catchments, ecosystem productivity, and carbon stabilization in northern peatlands. We are using piezometric, hydraulic conductivity, chemical, and isotopic data to assess how hydrological connectivity, solute sources, and biogeochemical transformations affect solute yields in northern Minnesota where connectivity to groundwater and surface water varies among a suite of fens and bogs. We are using geochemical mixing analysis to elucidate pathways along which water and solutes flow, and to determine how, when, and where solutes, such as dissolved organic matter, are transported from northern peatlands to downgradient aquatic ecosystems. From our assessment of contemporary connectivity of peatlands to larger flow systems, we are working to conceptualize how DOM yields from different peatland types may respond to climate change.

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

    USGS Publications Warehouse

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

    2003-01-01

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

  5. Solute transport through large uniform and layered soil columns

    NASA Astrophysics Data System (ADS)

    Porro, I.; Wierenga, P. J.; Hills, R. G.

    1993-04-01

    Solute transport experiments are often conducted with homogeneous soils, whereas transport in real situations takes place in heterogeneous soils. An experiment was conducted to compare unsaturated solute transport through uniform and layered soils. Pulse inputs of tritiated water, bromide and chloride were applied under steady flow conditions to the tops of two large (0.95 m diameter by 6 m deep) soil columns. One column was uniformly filled with loamy fine sand and the other filled with alternating 20-cm-thick layers of loamy fine sand and silty clay loam. Soil solution samples were collected during the experiment with suction candles installed at various depths in the columns. Solute transport parameters were estimated by fitting the convection-dispersion equation to the observed breakthrough curves for each solute at various depths in each column. The match between the resulting calibrated curves and the experiment was better for the layered soil column than for the uniform soil column. The results displayed no clear relationship between the dispersion coefficients and depth for any of the tracers for either column. However, dispersivities were greater in the uniform column (3.5 cm) than in the layered column (1.2 cm), while retardation factors for bromide and chloride were similar (0.8 and 0.83, respectively, for the uniform and layered columns). A retardation factor less than one is attributed to anion exclusion. There was evidence of preferential flow in the uniform soil column. The peak concentrations at 5 m depth were greater than those observed at 4 m. Such behavior is inconsistent with one-dimensional flow. Similar results were observed in an experiment performed 3.5 years earlier using the same soil column and approximately the same flow rates, but using a different tracer and associated chemical analysis, different soil saturation prior to the execution of the experiment, and different experimental personnel. This supports the thesis that the anomalous

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

    SciTech Connect

    Zhang Xi; Shia Runlie; Yung, Yuk L.

    2013-04-20

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

  7. Analytical solution of two-dimensional solute transport in an aquifer-aquitard system.

    PubMed

    Zhan, Hongbin; Wen, Zhang; Huang, Guanhua; Sun, Dongmin

    2009-07-21

    This study deals with two-dimensional solute transport in an aquifer-aquitard system by maintaining rigorous mass conservation at the aquifer-aquitard interface. Advection, longitudinal dispersion, and transverse vertical dispersion are considered in the aquifer. Vertical advection and diffusion are considered in the aquitards. The first-type and the third-type boundary conditions are considered in the aquifer. This study differs from the commonly used averaged approximation (AA) method that treats the mass flux between the aquifer and aquitard as an averaged volumetric source/sink term in the governing equation of transport in the aquifer. Analytical solutions of concentrations in the aquitards and aquifer and mass transported between the aquifer and upper or lower aquitard are obtained in the Laplace domain, and are subsequently inverted numerically to yield results in the real time domain (the Zhan method). The breakthrough curves (BTCs) and distribution profiles in the aquifer obtained in this study are drastically different from those obtained using the AA method. Comparison of the numerical simulation using the model MT3DMS and the Zhan method indicates that the numerical result differs from that of the Zhan method for an asymmetric case when aquitard advections are at the same direction. The AA method overestimates the mass transported into the upper aquitard when an upward advection exists in the upper aquitard. The mass transported between the aquifer and the aquitard is sensitive to the aquitard Peclet number, but less sensitive to the aquitard diffusion coefficient. PMID:19477033

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

    PubMed

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

    2016-09-01

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

  9. Tau phosphorylation affects its axonal transport and degradation

    PubMed Central

    Rodríguez-Martín, Teresa; Cuchillo-Ibáñez, Inmaculada; Noble, Wendy; Nyenya, Fanon; Anderton, Brian H.; Hanger, Diane P.

    2013-01-01

    Phosphorylated forms of microtubule-associated protein tau accumulate in neurofibrillary tangles in Alzheimer's disease. To investigate the effects of specific phosphorylated tau residues on its function, wild type or phosphomutant tau was expressed in cells. Elevated tau phosphorylation decreased its microtubule binding and bundling, and increased the number of motile tau particles, without affecting axonal transport kinetics. In contrast, reducing tau phosphorylation enhanced the amount of tau bound to microtubules and inhibited axonal transport of tau. To determine whether differential tau clearance is responsible for the increase in phosphomimic tau, we inhibited autophagy in neurons which resulted in a 3-fold accumulation of phosphomimic tau compared with wild type tau, and endogenous tau was unaffected. In autophagy-deficient mouse embryonic fibroblasts, but not in neurons, proteasomal degradation of phosphomutant tau was also reduced compared with wild type tau. Therefore, autophagic and proteasomal pathways are involved in tau degradation, with autophagy appearing to be the primary route for clearing phosphorylated tau in neurons. Defective autophagy might contribute to the accumulaton of tau in neurodegenerative diseases. PMID:23601672

  10. Phononic heat transport in the transient regime: An analytic solution

    NASA Astrophysics Data System (ADS)

    Tuovinen, Riku; Säkkinen, Niko; Karlsson, Daniel; Stefanucci, Gianluca; van Leeuwen, Robert

    2016-06-01

    We investigate the time-resolved quantum transport properties of phonons in arbitrary harmonic systems connected to phonon baths at different temperatures. We obtain a closed analytic expression of the time-dependent one-particle reduced density matrix by explicitly solving the equations of motion for the nonequilibrium Green's function. This is achieved through a well-controlled approximation of the frequency-dependent bath self-energy. Our result allows for exploring transient oscillations and relaxation times of local heat currents, and correctly reduces to an earlier known result in the steady-state limit. We apply the formalism to atomic chains, and benchmark the validity of the approximation against full numerical solutions of the bosonic Kadanoff-Baym equations for the Green's function. We find good agreement between the analytic and numerical solutions for weak contacts and baths with a wide energy dispersion. We further analyze relaxation times from low to high temperature gradients.

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

    NASA Astrophysics Data System (ADS)

    Swan, James; Wang, Gang

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

  12. 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.

  13. [Solute transport modeling application in groundwater organic contaminant source identification].

    PubMed

    Wang, Shu-Fang; Wang, Li-Ya; Wang, Xiao-Hong; Lin, Pei; Liu, Jiu-Rong; Xin, Bao-Dong; He, Guo-Ping

    2012-03-01

    Investigation and numerical simulation, based on RT3D (reactive transport in 3-dimensions)were used to identify the source of tetrachloroethylene (PCE) and trichloroethylene (TCE) in the groundwater of a city in the north of China and reverse the input intensity. Multiple regressions were applied to analyze the influenced factors of input intensity of PCE and TCE using Stepwise function in Matlab. The results indicate that the factories and industries are the source of the PCE and TCE in groundwater. Natural attenuation was identified and the natural attenuation rates are 93.15%, 61.70% and 61.00% for PCE, and 70.05%, 73.66% and 63.66% for TCE in 173 days. The 4 source points identified by the simulation have released 0.910 6 kg PCE and 95.693 8 kg TCE during the simulation period. The regression analysis results indicate that local precipitation and the thickness of vadose zone are the main factors influencing organic solution transporting from surface to groundwater. The PCE and TCE concentration are found to be 0 and 5 mg x kg(-1) from surface to 35 cm in vadose zone. All above results suggest that PCE and TCE in groundwater are from the source in the surface. Natural attenuation occurred when PCE and TCE transporting from the surface to groundwater, and the rest was transported to groundwater through vadose zone. Local precipitation was one of the critical factors influencing the transportation of PCE and TCE to aquifer through sand, pebble and gravel of the Quaternary.

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

    PubMed

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

    2015-01-01

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

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

    PubMed Central

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

    2015-01-01

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

  16. Chemical transport and dissolution/precipitation of crystalline solution during hydrothermal convection

    NASA Astrophysics Data System (ADS)

    Rabinowicz, M.; Dandurand, J. L.; Schott, J.

    1995-04-01

    A mathematical formalism is developed to compute the aqueous species transport coupled to reactions forming crystalline solutions during hydrothermal circulation. The formalism takes into account that, during convection in a fracture network at temperatures from 0 C to 200 C, dissolution/precipitation reactions between the fluids and crystalline solutions do not reach a 'true' equilibrium at the local fluid temperature; rather a 'pseudo-equilibrium' is reached locally either with the dissolving or with the last precipitated crystalline solution. These assumptions permit the explicit solutions of the mass transfer equations during simple convective loops. Two examples of reactive associated with convective flow are given: (1) O-16 and O-18 partitioning between quartz and an aqueous fluid and (2) compositional variations in the celestite-barite (Sr, Ba)SO4 solid solution. Computations show that after several convective cycles, an asymptotic precipitation regime is reached which is independent of the initial composition of the fluids percolating in the fracture network. Also, for most crystalline solutions, the compositions of the precipitated solids in the asymptotic precipitation regime are not affected by the fact that the 'pseudo-equilibrium' is reached with the dissolving or with the last precipitated crystalline solution. Thus, explicit relations are derived giving the composition of the precipitated products as a function of the convective fluid temperature and the reacting crystalline solution. These relations are suggested as possible geothermometers to study paleohydothermal systems.

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

    NASA Astrophysics Data System (ADS)

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

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

  18. Analytical Advection-Dispersion Model for Transport and Plant Uptake of Solutes in the Root Zone

    Technology Transfer Automated Retrieval System (TEKTRAN)

    We develop an advective-dispersive solute transport equation that includes plant uptake of water and solute, and present an analytical solution. Assumptions underlying the transport model include linear solute sorption, first-order plant uptake, and a uniform soil water content. We examine the lat...

  19. Impact of 3D root uptake on solute transport: a numerical study

    NASA Astrophysics Data System (ADS)

    Schröder, N.; Javaux, M.; Vanderborght, J.; Steffen, B.; Vereecken, H.

    2011-12-01

    Plant transpiration is an important component of the hydrological cycle. Through root water uptake, plants do not only affect the 3D soil water flow velocity distribution, but also solute movement in soil. This numerical study aims at investigating how solute fate is impacted by root uptake using the 3D biophysical model R-SWMS (Javaux et al., 2008). This model solves the Richards equation in 3D in the soil and the flow equation within the plant root xylem vessels. Furthermore, for solute transport simulations, the 3D particle tracker PARTRACE (Bechtold et al., 2011) was used. . We generated 3D virtual steady-state breakthrough curves (BTC) experiments in soils with transpiring plants. The averaged BTCs were then fitted with a 1D numerical flow model under steady-state conditions to obtain apparent CDE parameters. Two types of root architecture, a fibrous and a taprooted structure, were compared in virtual 3D experiments. The solute uptake type or the transpiration rate were also modified and we analyzed how these parameters affected apparent disperisivity and velocity profiles. Our simulation results show, that both, apparent velocity and dispersivity length are affected by water and solute root uptake. In addition, under high exclusion processes (slight or no active uptake), solute accumulates around roots and generates a long tailing to the breakthrough curves, which cannot be reproduced by 1D models that simulate root water uptake with solute exclusion. This observation may have an important impact on how to model pollutant mass transfer to groundwater at larger scales. Javaux, M., T. Schröder, J. Vanderborght, and H. Vereecken. 2008. Use of a three-dimensional detailed modeling approach for predicting root water uptake. Vadose Zone J. 7:1079-1088.doi: 10.2136/vzj2007.0115. Bechtold, M., S. Haber-Pohlmeier, J. Vanderborght, A. Pohlmeier, P.A. Ferre, and H. Vereecken. 2011. Near-surface solute redistribution during evaporation. Submitted to Geophys. Res. Lett

  20. A stochastic model for solute transport in macroporous soils

    SciTech Connect

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

    1999-12-01

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

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

  2. Mountain-Scale Transport of Radioactive Solutes and Colloids Through the Unsaturated Zone of Yucca Mountain, Nevada

    NASA Astrophysics Data System (ADS)

    Moridis, G. J.; Seol, Y.

    2003-12-01

    The US Department of Energy is actively investigating the technical feasibility of permanent disposal of high-level nuclear waste in an appropriate repository to be situated in the unsaturated zone (UZ) at Yucca Mountain (YM), Nevada. The objectives of this study are to evaluate the transport of radioactive solutes and colloids under ambient conditions from the potential repository horizon to the water table and to determine processes and geohydrologic features that significantly affect radionuclide transport. The radionuclide transport model considers the site hydrology, and the effects of the spatial distribution of hydraulic and transport properties in the fractured rocks of the YM subsurface. Several radionuclides (solutes and colloids) with varying properties are investigated. The results of the study indicate that the most important factors affecting radionuclide transport are the subsurface geology and site hydrology, i.e., the presence of faults (they dominate and control transport), fractures (the main migration pathways), and the relative distribution of zeolitic and vitric tuffs. Radioactive decay, diffusion from the fractures into the matrix, and subsequent sorption (for solutes) or filtration (for colloids) onto, are the main retardation processes. For solutes, arrival times at the watertable increase with the sorption distribution coefficients of the various species, and may have to account for contributions from the decay daughters of certain radionuclides. Changes in future climatic conditions can have a significant effect on transport, as increasing infiltration leads to faster transport to the water table. The transport of colloids is strongly influenced by their size (as it affects diffusion into the matrix, straining at hydrogeologic unit interfaces and transport velocity) and by the fracture attributes.

  3. Seismic reflection characteristics of naturally-induced subsidence affecting transportation

    USGS Publications Warehouse

    Miller, R.D.; Xia, J.; Steeples, D.W.

    2009-01-01

    High-resolution seismic reflections have been used effectively to investigate sinkholes formed from the dissolution of a bedded salt unit found throughout most of Central Kansas. Surface subsidence can have devastating effects on transportation structures. Roads, rails, bridges, and pipelines can even be dramatically affected by minor ground instability. Areas susceptible to surface subsidence can put public safety at risk. Subsurface expressions significantly larger than surface depressions are consistently observed on seismic images recorded over sinkholes in Kansas. Until subsidence reaches the ground surface, failure appears to be controlled by compressional forces evidenced by faults with reverse orientation. Once a surface depression forms or dissolution of the salt slows or stops, subsidence structures are consistent with a tensional stress environment with prevalent normal faults. Detecting areas of rapid subsidence potential, prior to surface failure, is the ultimate goal of any geotechnical survey where the ground surface is susceptible to settling. Seismic reflection images have helped correlate active subsidence to dormant paleofeatures, project horizontal growth of active sinkholes based on subsurface structures, and appraise the risk of catastrophic failure. ?? China University of Geosciences (Wuhan) and Springer-Verlag GmbH 2009.

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

    NASA Astrophysics Data System (ADS)

    Frampton, Andrew; Destouni, Georgia

    2016-04-01

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

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

    USGS Publications Warehouse

    Mehl, S.; Hill, M.C.

    2000-01-01

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

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

    USGS Publications Warehouse

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

    1991-01-01

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

  7. Improved parallel solution techniques for the integral transport matrix method

    SciTech Connect

    Zerr, Robert J; Azmy, Yousry Y

    2010-11-23

    Alternative solution strategies to the parallel block Jacobi (PBJ) method for the solution of the global problem with the integral transport matrix method operators have been designed and tested. The most straightforward improvement to the Jacobi iterative method is the Gauss-Seidel alternative. The parallel red-black Gauss-Seidel (PGS) algorithm can improve on the number of iterations and reduce work per iteration by applying an alternating red-black color-set to the subdomains and assigning multiple sub-domains per processor. A parallel GMRES(m) method was implemented as an alternative to stationary iterations. Computational results show that the PGS method can improve on the PBJ method execution by up to {approx}50% when eight sub-domains per processor are used. However, compared to traditional source iterations with diffusion synthetic acceleration, it is still approximately an order of magnitude slower. The best-performing case are opticaUy thick because sub-domains decouple, yielding faster convergence. Further tests revealed that 64 sub-domains per processor was the best performing level of sub-domain division. An acceleration technique that improves the convergence rate would greatly improve the ITMM. The GMRES(m) method with a diagonal block preconditioner consumes approximately the same time as the PBJ solver but could be improved by an as yet undeveloped, more efficient preconditioner.

  8. Impact of water table fluctuations on water flow and solute transport in different porous media

    NASA Astrophysics Data System (ADS)

    Rühle, Franziska; Zentner, Nadine; Stumpp, Christine

    2013-04-01

    The interface between saturated and unsaturated zone is dynamic and varies spatially and temporally resulting in fluctuations of the water table. Still, little is known about transport processes under transient flow conditions at this interface and how the processes are affected by altering the water table. In order to understand transport and fate of dissolved contaminants into the groundwater and consequently the quality of groundwater, improved understanding about hydrological processes at the dynamic interface between unsaturated and saturated zone is needed. The objective of this study was to investigate the impact of water table fluctuations on one-dimensional vertical flow and solute transport in different sediments. Therefore, flow-through columns (length=50cm, diameter=9cm), filled with glass beads of different grain sizes (smaller=0.4-0.6mm, coarser=1.0-1.5mm), were constantly irrigated at 12 cm/d. Several multi-tracer experiments were conducted with a statically fixed water table and compared to experiments where the water table was fluctuated in upward and downward direction. Data modeling was performed with a lumped parameter model to simulate hydrological fluxes and to determine transport parameters. Our results showed that most tracer breakthrough curves were well simulated indicating that the systems were at steady state. The results showed that under certain hydrological conditions water table fluctuations lead to increased dispersivity. It is suggested that a falling water table can cause increased spreading when the decline is faster than the water flux resulting in a more extensive solute distribution over depth. Further, it was observed that a rising water table can cause higher tracer spreading due to diffusive solute exchange in coarse sediments with immobile water regions. In conclusion, spatial and temporal variability of the interface between vadose zone and groundwater contribute to spreading of solutes and therefore have to be considered

  9. TRANSPORTER POLYMORPHISMS AFFECT NORMAL PHYSIOLOGY, DISEASES, AND PHARMACOTHERAPY

    PubMed Central

    Sissung, Tristan M.; Troutman, Sarah M.; Campbell, Tessa J; Pressler, Heather M.; Sung, Hyeyoung; Bates, Susan E.; Figg, William D.

    2014-01-01

    Drug transporters mediate the movement of endobiotics and xenobiotics across biological membranes in multiple organs and in most tissues. As such, they are involved in physiology, development of disease, drug pharmacokinetics, and ultimately the clinical response to myriad medications. Genetic variants in transporters cause population-specific differences in drug transport and are responsible for considerable inter-individual variation in physiology and pharmacotherapy. The purpose of this review is to provide a broad overview of how inherited variants in transporters are associated with disease etiology, disease state, and the pharmacological treatment of diseases. Given that there are thousands of published papers related to the interplay between transporter genetics and medicine, this review will provide examples that exemplify the broader focus of the literature. PMID:22284781

  10. 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.

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

    NASA Technical Reports Server (NTRS)

    Caruso, Pamela W.

    2009-01-01

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

  12. Modeling colloid and microorganism transport and release with transients in solution ionic strength

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The transport and fate of colloids, microorganisms, and nanoparticles in subsurface environments is strongly influenced by transients in solution ionic strength (IS). A sophisticated dual-permeability transport model that is capable of simulating exponential, hyperexponential, uniform, and nonmonot...

  13. Factors affecting Staphylococcus epidermidis growth in peritoneal dialysis solutions.

    PubMed Central

    McDonald, W A; Watts, J; Bowmer, M I

    1986-01-01

    Staphylococcus epidermidis is the most frequent cause of peritonitis complicating continuous ambulatory peritoneal dialysis. We studied factors that might influence the growth of S. epidermidis in commercially available peritoneal dialysis solution (PDS). Test strains were inoculated into PDS and incubated overnight at 37 degrees C. Samples were removed at appropriate intervals, bacterial counts were performed, and growth curves were constructed. We studied the effects of various osmolarities, the neutralization and acidification of fresh and spent PDS, and the effect of intraperitoneal dwell time on the ability PDS to support growth of S. epidermidis. In fresh PDS, numbers of bacteria remained constant after 24 h. No significant differences in growth were observed among PDS with 0.5, 1.5, 2.5, and 4.25% glucose. Neutralizing acidic fresh PDS had no effect on bacterial growth. However, growth did occur in spent PDS. PDS which was recovered after only 2 h in the peritoneal cavity supported growth to the same extent as did PDS recovered after 4 to 6 h. Mean log10 changes after 24 h of incubation were as follows: for fresh PDS, -1.3; after 2 h dwell time, 2.9; after 4 h dwell time, 1.9; and after 6 h dwell time, 1.3. Acidification of spent PDS to less than pH 6.35 produced less rapid growth; mean log10 increases after 24 h of incubation were 1.9 for pH 7.75, 1.6 for pH 6.35, 0.6 for pH 5.75, and 0.7 for pH 4.95. Fresh PDS of all available osmolarities neither supported the growth of S. epidermidis nor was bactericidal. Spent PDS supported bacterial growth, and this growth was partly independent of the neutralization which occurred during the dialysis. PMID:3722356

  14. Nonpoint source solute transport normal to aquifer bedding in heterogeneous, Markov chain random fields

    NASA Astrophysics Data System (ADS)

    Zhang, Hua; Harter, Thomas; Sivakumar, Bellie

    2006-06-01

    Facies-based geostatistical models have become important tools for analyzing flow and mass transport processes in heterogeneous aquifers. Yet little is known about the relationship between these latter processes and the parameters of facies-based geostatistical models. In this study, we examine the transport of a nonpoint source solute normal (perpendicular) to the major bedding plane of an alluvial aquifer medium that contains multiple geologic facies, including interconnected, high-conductivity (coarse textured) facies. We also evaluate the dependence of the transport behavior on the parameters of the constitutive facies model. A facies-based Markov chain geostatistical model is used to quantify the spatial variability of the aquifer system's hydrostratigraphy. It is integrated with a groundwater flow model and a random walk particle transport model to estimate the solute traveltime probability density function (pdf) for solute flux from the water table to the bottom boundary (the production horizon) of the aquifer. The cases examined include two-, three-, and four-facies models, with mean length anisotropy ratios for horizontal to vertical facies, ek, from 25:1 to 300:1 and with a wide range of facies volume proportions (e.g., from 5 to 95% coarse-textured facies). Predictions of traveltime pdfs are found to be significantly affected by the number of hydrostratigraphic facies identified in the aquifer. Those predictions of traveltime pdfs also are affected by the proportions of coarse-textured sediments, the mean length of the facies (particularly the ratio of length to thickness of coarse materials), and, to a lesser degree, the juxtapositional preference among the hydrostratigraphic facies. In transport normal to the sedimentary bedding plane, traveltime is not lognormally distributed as is often assumed. Also, macrodispersive behavior (variance of the traveltime) is found not to be a unique function of the conductivity variance. For the parameter range

  15. An optimized transport-of-intensity solution for phase imaging

    NASA Astrophysics Data System (ADS)

    Banerjee, Partha; Basunia, Mahmudunnabi; Poon, Ting-Chung; Zhang, Hongbo

    2016-05-01

    The transport-of-intensity equation (TIE) is often used to determine the phase and amplitude profile of a complex object by monitoring the intensities at different distances of propagation or around the image plane. TIE results from the imaginary part of the paraxial wave equation and is equivalent to the conservation of energy. The real part of the paraxial wave equation gives the eikonal equation in the presence of diffraction. Since propagation of the optical field between different planes is governed by the (paraxial) wave equation, both real and imaginary parts need to be satisfied at every propagation plane. In this work, the solution of the TIE is optimized by using the real part of the paraxial wave equation as a constraint. This technique is applied to the more exact determination of imaging the induced phase of a liquid heated by a focused laser beam, which has been previously computed using TIE only. Retrieval of imaged phase using the TIE is performed by using the constraint that naturally arises from the real part of the paraxial wave equation.

  16. Analytical and experimental analysis of solute transport in heterogeneous porous media.

    PubMed

    Wu, Lei; Gao, Bin; Tian, Yuan; Muñoz-Carpena, Rafael

    2014-01-01

    Knowledge of solute transport in heterogeneous porous media is crucial to monitor contaminant fate and transport in soil and groundwater systems. In this study, we present new findings from experimental and mathematical analysis to improve current understanding of solute transport in structured heterogeneous porous media. Three saturated columns packed with different sand combinations were used to examine the breakthrough behavior of bromide, a conservative tracer. Experimental results showed that bromide had different breakthrough responses in the three types of sand combinations, indicating that heterogeneity in hydraulic conductivity has a significant effect on the solute transport in structured heterogeneous porous media. Simulations from analytical solutions of a two-domain solute transport model matched experimental breakthrough data well for all the experimental conditions tested. Experimental and model results show that under saturated flow conditions, advection dominates solute transport in both fast-flow and slow-flow domains. The sand with larger hydraulic conductivity provided a preferential flow path for solute transport (fast-flow domain) that dominates the mass transfer in the heterogeneous porous media. Importantly, the transport in the slow-flow domain and mass exchange between the domains also contribute to the flow and solute transport processes and thus must be considered when investigating contaminant transport in heterogeneous porous media. PMID:24279625

  17. Analytical and experimental analysis of solute transport in heterogeneous porous media.

    PubMed

    Wu, Lei; Gao, Bin; Tian, Yuan; Muñoz-Carpena, Rafael

    2014-01-01

    Knowledge of solute transport in heterogeneous porous media is crucial to monitor contaminant fate and transport in soil and groundwater systems. In this study, we present new findings from experimental and mathematical analysis to improve current understanding of solute transport in structured heterogeneous porous media. Three saturated columns packed with different sand combinations were used to examine the breakthrough behavior of bromide, a conservative tracer. Experimental results showed that bromide had different breakthrough responses in the three types of sand combinations, indicating that heterogeneity in hydraulic conductivity has a significant effect on the solute transport in structured heterogeneous porous media. Simulations from analytical solutions of a two-domain solute transport model matched experimental breakthrough data well for all the experimental conditions tested. Experimental and model results show that under saturated flow conditions, advection dominates solute transport in both fast-flow and slow-flow domains. The sand with larger hydraulic conductivity provided a preferential flow path for solute transport (fast-flow domain) that dominates the mass transfer in the heterogeneous porous media. Importantly, the transport in the slow-flow domain and mass exchange between the domains also contribute to the flow and solute transport processes and thus must be considered when investigating contaminant transport in heterogeneous porous media.

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

    PubMed Central

    Saier, Milton H.

    2000-01-01

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

  19. A functional-phylogenetic classification system for transmembrane solute transporters.

    PubMed

    Saier, M H

    2000-06-01

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

  20. Semianalytical Solutions of Radioactive or Reactive Tracer Transport in Layered Fractured Media

    SciTech Connect

    G.J. Moridis; G. S. Bodvarsson

    2001-10-01

    In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive tracers (solutes or colloids) through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the matrix account for (a) diffusion, (b) surface diffusion (for solutes only), (c) mass transfer between the mobile and immobile water fractions, (d) linear kinetic or equilibrium physical, chemical, or combined solute sorption or colloid filtration, and (e) radioactive decay or first order chemical reactions. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The tracer-transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Additionally, the colloid transport equations account for straining and velocity adjustments related to the colloidal size. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of {sup 3}H, {sup 237}Np and {sup 239}Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity. {sup 239}Pu colloid transport problems in multilayered systems indicate significant colloid accumulations at straining interfaces but much faster transport of the colloid than the corresponding strongly sorbing solute species.

  1. Semianalytical solutions of radioactive or reactive tracer transport in layered fractured media

    SciTech Connect

    Moridis, G.J.; Bodvarsson, G.S.

    2001-10-10

    In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive tracers (solutes or colloids) through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the matrix account for (a) diffusion, (b) surface diffusion (for solutes only), (c) mass transfer between the mobile and immobile water fractions, (d) linear kinetic or equilibrium physical, chemical, or combined solute sorption or colloid filtration, and (e) radioactive decay or first order chemical reactions. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The tracer-transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Additionally, the colloid transport equations account for straining and velocity adjustments related to the colloidal size. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of {sup 3}H, {sup 237}Np and {sup 239}Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity. {sup 239}Pu colloid transport problems in multilayered systems indicate significant colloid accumulations at straining interfaces but much faster transport of the colloid than the corresponding strongly sorbing solute species.

  2. 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

  3. Hierarchical simulation of aquifer heterogeneity: implications of different simulation settings on solute-transport modeling

    NASA Astrophysics Data System (ADS)

    Comunian, Alessandro; De Micheli, Leonardo; Lazzati, Claudio; Felletti, Fabrizio; Giacobbo, Francesca; Giudici, Mauro; Bersezio, Riccardo

    2016-03-01

    The fine-scale heterogeneity of porous media affects the large-scale transport of solutes and contaminants in groundwater and it can be reproduced by means of several geostatistical simulation tools. However, including the available geological information in these tools is often cumbersome. A hierarchical simulation procedure based on a binary tree is proposed and tested on two real-world blocks of alluvial sediments, of a few cubic meters volume, that represent small-scale aquifer analogs. The procedure is implemented using the sequential indicator simulation, but it is so general that it can be adapted to various geostatistical simulation tools, improving their capability to incorporate geological information, i.e., the sedimentological and architectural characterization of heterogeneity. When compared with a standard sequential indicator approach on bi-dimensional simulations, in terms of proportions and connectivity indicators, the proposed procedure yields reliable results, closer to the reference observations. Different ensembles of three-dimensional simulations based on different hierarchical sequences are used to perform numerical experiments of conservative solute transport and to obtain ensembles of equivalent pore velocity and dispersion coefficient at the scale length of the blocks (meter). Their statistics are used to estimate the impact of the variability of the transport properties of the simulated blocks on contaminant transport modeled on bigger domains (hectometer). This is investigated with a one-dimensional transport modeling based on the Kolmogorov-Dmitriev theory of branching stochastic processes. Applying the proposed approach with diverse binary trees and different simulation settings provides a great flexibility, which is revealed by the differences in the breakthrough curves.

  4. 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.

  5. Analysis of matrix effects critical to microbial transport in organic waste-affected soils across laboratory and field scales

    NASA Astrophysics Data System (ADS)

    Unc, Adrian; Goss, Michael J.; Cook, Simon; Li, Xunde; Atwill, Edward R.; Harter, Thomas

    2012-06-01

    Organic waste applications to soil (manure, various wastewaters, and biosolids) are among the most significant sources of bacterial contamination in surface and groundwater. Transport of bacteria through the vadose zone depends on flow path geometry and stability and is mitigated by interaction between soil, soil solution, air-water interfaces, and characteristics of microbial surfaces. After initial entry, the transport through soil depends on continued entrainment of bacteria and resuspension of those retained in the porous structure. We evaluated the retention of bacteria-sized artificial microspheres, varying in diameter and surface charge and applied in different suspending solutions, by a range of sieved soils contained in minicolumns, the transport of hydrophobic bacteria-sized microspheres through undisturbed soil columns as affected by waste type under simulated rainfall, and the field-scale transport of Enterococcus spp. to an unconfined sandy aquifer after the application of liquid manure. Microsphere retention reflected microsphere properties. The soil type and suspending solution affected retention of hydrophilic but not hydrophobic particles. Retention was not necessarily facilitated by manure-microsphere-soil interactions but by manure-soil interactions. Undisturbed column studies confirmed the governing role of waste type on vadose-zone microsphere transport. Filtration theory applied as an integrated analysis of transport across length scales showed that effective collision efficiency depended on the distance of travel. It followed a power law behavior with the power coefficient varying from ˜0.4 over short distances to >0.9 over 1 m (i.e., very little filtration for a finite fraction of biocolloids), consistent with reduced influence of soil solution and biocolloid properties at longer travel distances.

  6. Chemical factors affecting fission product transport in severe LMFBR accidents

    SciTech Connect

    Wichner, R.P.; Jolley, R.L.; Gat, U.; Rodgers, B.R.

    1984-10-01

    This study was performed as a part of a larger evaluation effort on LMFBR accident, source-term estimation. Purpose was to provide basic chemical information regarding fission product, sodium coolant, and structural material interactions required to perform estimation of fission product transport under LMFBR accident conditions. Emphasis was placed on conditions within the reactor vessel; containment vessel conditions are discussed only briefly.

  7. Technology assessment of future intercity passenger transporation systems. Volume 2: Identification of issues affecting intercity transportation

    NASA Technical Reports Server (NTRS)

    1976-01-01

    Papers on major issues and trends that affect the future of intercity transportation are presented. Specific areas covered include: political, social, technological, institutional, and economic mechanisms, the workings of which determine how future intercity transporation technologies will evolve and be put into service; the major issues of intercity transportation from the point of view of reform, including candidate transporation technologies; and technical analysis of trends affecting the evolution of intercity transportation technologies.

  8. Epoxyeicosatrienoic Acids Affect Electrolyte Transport in Renal Tubular Epithelial Cells: Dependence on Cyclooxygenase and Cell Polarity

    PubMed Central

    Nüsing, Rolf M.; Schweer, Horst; Fleming, Ingrid; Zeldin, Darryl C.; Wegmann, Markus

    2007-01-01

    We investigated the effects of epoxyeicosatrienoic acids (EETs) on ion transport in the polarized renal distal tubular cell line, MDCK C7. Of the four EET regioisomers (5,6-EET, 8,9-EET, 11,12-EET, and 14,15-EET) studied, only apical, but not basolateral, application of 5,6-EET increased short circuit current (Isc) with kinetics similar to those of arachidonic acid. The ion transport was blocked by preincubation with the cyclooxygenase inhibitor indomethacin or with the chloride channel blocker NPPB. Further, both a Cl−-free bath solution and the Ca2+ antagonist verapamil blocked 5,6-EET-induced ion transport. Although the presence of the PGE2 receptors EP2, EP3, and EP4 was demonstrated, apically added PGE2 was ineffective and basolaterally added PGE2 caused a different kinetics in ion transport compared to 5,6-EET. Moreover, PGE2 sythesis in MDCK C7 cells was unaffected by 5,6-EET treatment. GC/MS/MS analysis of cell supernatants revealed the presence of the biologically inactive 5,6-dihydroxy-PGE1 in 5,6-EET-treated cells, but not in control cells. Indomethacin suppressed the formation of 5,6-dihydroxy-PGE1. 5,6-epoxy-PGE1 the precursor of 5,6-dihydroxy-PGE1, caused a similar ion transport as 5,6-EET. Cytochrome P450 enzymes homolog to human CYP2C8, CYP2C9, and CYP2J2 protein were detected immunologically in the MDCK C7 cells. Our findings suggest that 5,6-EET affects Cl-transport in renal distal tubular cells independent of PGE2 but by a mechanism, dependent on its conversion to 5,6-epoxy-PGE1 by cyclooxygenase. We suggest a role for this P450 epoxygenase product in the regulation of electrolyte transport, especially as a saluretic compound acting from the luminal side of tubular cells in the mammalian kidney. PMID:17494091

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

    ERIC Educational Resources Information Center

    Butters, Greg; Bandaranayake, Wije

    1993-01-01

    A solution of the convection-dispersion equation is used to describe the solute breakthrough curves generated in the demonstrations in the companion paper. Estimation of the best fit model parameters (solute velocity, dispersion, and retardation) is illustrated using the method of moments for an example data set. (Author/MDH)

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Mathematical 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-di...

  11. SUMMARY OF GEOCHEMICAL TRANSPORT EXPERIMENTS AND MODELS FOR SOLUTE-SEDIMENT INTERACTIONS IN STREAMS.

    USGS Publications Warehouse

    Bencala, Kenneth E.; Zellweger, Gary W.; McKnight, Diane; Kennedy, Vance C.; Jackman, Alan P.

    1985-01-01

    A variety of in-stream experiments have been conducted in small, mountain streams to investigate in-stream solute transport, interactions between surface and subsurface flows, and geochemical interactions between solutes and sediments. Models for cation transport have been developed. The emphasis has been on attempting to demonstrate the relative roles of physical transport processes and geochemical reactions. A summary of experiments conducted in three streams is presented.

  12. Seasonal difference in brain serotonin transporter binding predicts symptom severity in patients with seasonal affective disorder.

    PubMed

    Mc Mahon, Brenda; Andersen, Sofie B; Madsen, Martin K; Hjordt, Liv V; Hageman, Ida; Dam, Henrik; Svarer, Claus; da Cunha-Bang, Sofi; Baaré, William; Madsen, Jacob; Hasholt, Lis; Holst, Klaus; Frokjaer, Vibe G; Knudsen, Gitte M

    2016-05-01

    Cross-sectional neuroimaging studies in non-depressed individuals have demonstrated an inverse relationship between daylight minutes and cerebral serotonin transporter; this relationship is modified by serotonin-transporter-linked polymorphic region short allele carrier status. We here present data from the first longitudinal investigation of seasonal serotonin transporter fluctuations in both patients with seasonal affective disorder and in healthy individuals. Eighty (11)C-DASB positron emission tomography scans were conducted to quantify cerebral serotonin transporter binding; 23 healthy controls with low seasonality scores and 17 patients diagnosed with seasonal affective disorder were scanned in both summer and winter to investigate differences in cerebral serotonin transporter binding across groups and across seasons. The two groups had similar cerebral serotonin transporter binding in the summer but in their symptomatic phase during winter, patients with seasonal affective disorder had higher serotonin transporter than the healthy control subjects (P = 0.01). Compared to the healthy controls, patients with seasonal affective disorder changed their serotonin transporter significantly less between summer and winter (P < 0.001). Further, the change in serotonin transporter was sex- (P = 0.02) and genotype- (P = 0.04) dependent. In the patients with seasonal affective disorder, the seasonal change in serotonin transporter binding was positively associated with change in depressive symptom severity, as indexed by Hamilton Rating Scale for Depression - Seasonal Affective Disorder version scores (P = 0.01). Our findings suggest that the development of depressive symptoms in winter is associated with a failure to downregulate serotonin transporter levels appropriately during exposure to the environmental stress of winter, especially in individuals with high predisposition to affective disorders.media-1vid110.1093/brain/aww043_video_abstractaww043_video

  13. Seasonal difference in brain serotonin transporter binding predicts symptom severity in patients with seasonal affective disorder.

    PubMed

    Mc Mahon, Brenda; Andersen, Sofie B; Madsen, Martin K; Hjordt, Liv V; Hageman, Ida; Dam, Henrik; Svarer, Claus; da Cunha-Bang, Sofi; Baaré, William; Madsen, Jacob; Hasholt, Lis; Holst, Klaus; Frokjaer, Vibe G; Knudsen, Gitte M

    2016-05-01

    Cross-sectional neuroimaging studies in non-depressed individuals have demonstrated an inverse relationship between daylight minutes and cerebral serotonin transporter; this relationship is modified by serotonin-transporter-linked polymorphic region short allele carrier status. We here present data from the first longitudinal investigation of seasonal serotonin transporter fluctuations in both patients with seasonal affective disorder and in healthy individuals. Eighty (11)C-DASB positron emission tomography scans were conducted to quantify cerebral serotonin transporter binding; 23 healthy controls with low seasonality scores and 17 patients diagnosed with seasonal affective disorder were scanned in both summer and winter to investigate differences in cerebral serotonin transporter binding across groups and across seasons. The two groups had similar cerebral serotonin transporter binding in the summer but in their symptomatic phase during winter, patients with seasonal affective disorder had higher serotonin transporter than the healthy control subjects (P = 0.01). Compared to the healthy controls, patients with seasonal affective disorder changed their serotonin transporter significantly less between summer and winter (P < 0.001). Further, the change in serotonin transporter was sex- (P = 0.02) and genotype- (P = 0.04) dependent. In the patients with seasonal affective disorder, the seasonal change in serotonin transporter binding was positively associated with change in depressive symptom severity, as indexed by Hamilton Rating Scale for Depression - Seasonal Affective Disorder version scores (P = 0.01). Our findings suggest that the development of depressive symptoms in winter is associated with a failure to downregulate serotonin transporter levels appropriately during exposure to the environmental stress of winter, especially in individuals with high predisposition to affective disorders.media-1vid110.1093/brain/aww043_video_abstractaww043_video_abstract.

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

    NASA Astrophysics Data System (ADS)

    Stofberg, Sija F.; EATM van der Zee, Sjoerd

    2015-04-01

    be very similar and likely functionally related. Our experimental field data were used for modelling water flow and solute transport in floating fens, using HYDRUS 2D. Fluctuations of surface water and root mat, as well as geometry and unsaturated zone parameters can have a major influence on groundwater fluctuations and the exchange between rain and surface water and the water in the root mats. In combination with the duration of salt pulses in surface water, and sensitivity of fen plants to salinity (Stofberg et al. 2014, submitted), risks for rare plants can be anticipated.

  15. The Altered Renal and Hepatic Expression of Solute Carrier Transporters (SLCs) in Type 1 Diabetic Mice

    PubMed Central

    Xu, Chenghao; Zhu, Ling; Chan, Ting; Lu, Xiaoxi; Shen, Weiyong; Gillies, Mark C.; Zhou, Fanfan

    2015-01-01

    Diabetes mellitus is a chronic metabolic disorder that significantly affects human health and well-being. The Solute carrier transporters (SLCs), particularly the Organic anion/cation transporters (Oats/Octs/Octns), Organic anion transporting polypeptides (Oatps) and Oligopeptide transporters (Pepts) are essential membrane proteins responsible for cellular uptake of many endogenous and exogenous substances such as clinically important drugs. They are widely expressed in mammalian key organs especially the kidney and liver, in which they facilitate the influx of various drug molecules, thereby determining their distribution and elimination in body. The altered expression of SLCs in diabetes mellitus could have a profound and clinically significant influence on drug therapies. In this study, we extensively investigated the renal and hepatic expression of twenty essential SLCs in the type 1 diabetic Ins2Akita murine model that develops both hyperglycemia and diabetes-related complications using real-time PCR and immunoblotting analysis. We found that the renal expression of mOatp1a1, mOatp1a6, mOat1, mOat3, mOat5, mOct2 and mPept2 was decreased; while that of mPept1 was increased at the mRNA level in the diabetic mice compared with non-diabetic controls. We found up-regulated mRNA expression of mOatp1a4, mOatp1c1, mOctn2, mOct3 and mPept1 as well as down-regulation of mOatp1a1 in the livers of diabetic mice. We confirmed the altered protein expression of several SLCs in diabetic mice, especially the decreased renal and hepatic expression of mOatp1a1. We also found down-regulated protein expression of mOat3 and mOctn1 in the kidneys as well as increased protein expression of mOatp1a4 and mOct3 in the livers of diabetic mice. Our findings contribute to better understanding the modulation of SLC transporters in type 1 diabetes mellitus, which is likely to affect the pharmacokinetic performance of drugs that are transported by these transporters and therefore, forms the

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

    USGS Publications Warehouse

    Wexler, Eliezer J.

    1989-01-01

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

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

    USGS Publications Warehouse

    Wexler, Eliezer J.

    1992-01-01

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

  18. Processes affecting transport of uranium in a suboxic aquifer

    USGS Publications Warehouse

    Davis, J.A.; Curtis, G.P.; Wilkins, M.J.; Kohler, M.; Fox, P.; Naftz, D.L.; Lloyd, J.R.

    2006-01-01

    At the Naturita site in Colorado, USA, groundwaters were sampled and analyzed for chemical composition and by culture and culture-independent microbiological techniques. In addition, sediments were extracted with a dilute sodium carbonate solution to determine quantities of labile uranium within the sediments. Samples from the upgradient portion of the contaminated aquifer, where very little dissolved Fe(II) is found in the groundwater, have uranium content that is controlled by U(VI) adsorption and few metal-reducing bacteria are observed. In the extreme downgradient portion of the aquifer, where dissolved Fe(II) is observed, uranium content of the sediments includes significant quantities of reduced U(IV) and diverse populations of Fe(III)-reducing bacteria were present in the subsurface with the potential of reducing U(VI) to U(IV). ?? 2006 Elsevier Ltd. All rights reserved.

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

    NASA Astrophysics Data System (ADS)

    Krezoski, John R.; Robbins, John A.; White, David S.

    1984-09-01

    presence of biogenically reworked sediments (with pelletized materials and remnant burrow structures) did not affect solute transport. In cells with live Stylodrilus, penetration of 22Na within the feeding zone was considerably more rapid, implying an apparent De twice as high as in cells without worms. Inferences based on the particle reworking results were used to develop an illustrative transport model that includes advective as well as diffusive terms. Advective transport arises from the incorporation of 22Na into pore fluids moved downward as a result of conveyor-belt feeding. The model indicates that within the feeding zone, solute transport is dominated by advection and that the apparent enhancement of De in pure diffusion models is really the result of solute flow induced by particle reworking. In cells with Pontoporeia, De is approximately twice that in control cells. In these cells, 22Na profiles may be treated theoretically without advection.

  20. Essays on alternative energy policies affecting the US transportation sector

    NASA Astrophysics Data System (ADS)

    O'Rear, Eric G.

    This dissertation encompasses three essays evaluating the impacts of different policies targeting the greenhouse gas (GHG) emissions, fuel demands, etc. of the transportation sector. Though there are some similarities across the three chapters, each essay stands alone as an independent work. The 2010 US EPA MARKAL model is used in each essay to evaluate policy effects. Essay 1 focuses on the recent increases in Corporate Average Fuel Economy (CAFE) standards, and the implications of a "rebound effect." These increases are compared to a carbon tax generating similar reductions in system-wide emissions. As anticipated, the largest reductions in fuel use by light-duty vehicles (LDV) and emissions are achieved under CAFE. Consideration of the rebound effect does little to distort CAFE benefits. Our work validates many economists' belief that a carbon tax is a more efficient approach. However, because the tax takes advantage of cheaper abatement opportunities in other sectors, reductions in transportation emissions will be much lower than what we observe with CAFE. Essay 2 compares CAFE increases with what some economists suggest would be a much more "efficient" alternative -- a system-wide oil tax internalizing some environmental externalities. Because oil taxes are likely to be implemented in addition to CAFE standards, we consider a combined policy case reflecting this. Our supplementary analysis approximates the appropriate tax rates to produce similar reductions in oil demands as CAFE (CAFE-equivalent tax rates). We discover that taxes result in greater and more cost-effective reductions in system-wide emissions and net oil imports than CAFE. The current fuel tax system is compared to three versions of a national vehicle miles traveled (VMT) tax charged to all LDVs in Essay 3. VMT taxes directly charge motorists for each mile driven and help to correct the problem of eroding tax revenues given the failure of today's fuel taxes to adjust with inflation. Results

  1. VERIFICATION OF TRANSPORT CODES BY THE METHOD OF MANUFACTURED SOLUTIONS: THE ATTILA EXPERIENCE

    SciTech Connect

    S. D. PAUTZ

    2001-03-19

    We extend the Method of Manufactured Solutions (MMS) to the verification of transport codes. We derive analytic fixed sources required by the MMS procedure for several types of transport problems and apply the method to the Attila transport code. By means of this method we discover and correct several coding mistakes in Attila and ultimately verify its correct implementation for the problems studied. Our studies reveal that the MMS procedure is a useful tool for transport code development.

  2. The antiepileptic drug carbamazepine affects sodium transport in toad epithelium.

    PubMed

    Suwalsky, Mario; Mennickent, Sigrid; Norris, Beryl; Cardenas, Hernán

    2006-09-01

    The present work investigates the effects of the antiepileptic drug carbamazepine (CBZ) on sodium transport in the isolated skin of the toad Pleurodema thaul. A submaximal concentration of the drug (0.2 mM) applied to the outer surface of the epithelium increased the electrical parameters short-circuit current (Isc) and potential difference (PD) by over 28%, whereas only a higher concentration (1 mM) induced over a 45% decrease in these parameters when applied to the inner surface. The amiloride test showed that the outer surface stimulatory effect was accompanied by an increase and the inner surface inhibitory effect by a decrease in the sodium electromotive force (ENa). Exploration of these effects of CBZ on the outer surface showed that 0.2 mM increased net Na+ (22Na) influx by 20% and 0.6 mM CBZ decreased Na+ mucosa-serosa flux by 19%, a result in agreement with the finding that higher concentrations of CBZ applied to the inner surface not only decreased ENa but also sodium conductance (GNa). PMID:16542818

  3. 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.

  4. Analytical Solution Describing Pesticide Volatilization from Soil Affected by a Change in Surface Condition

    Technology Transfer Automated Retrieval System (TEKTRAN)

    An analytical solution describing the fate and transport of pesticides applied to soils has been developed. Two pesticide application methods can be simulated: point-source applications such as a hot-gas injection method and a shank-source application method that includes a vertical pesticide distr...

  5. Peclet number as affected by molecular diffusion controls transient anomalous transport in alluvial aquifer-aquitard complexes.

    PubMed

    Zhang, Yong; Green, Christopher T; Tick, Geoffrey R

    2015-01-01

    This study evaluates the role of the Peclet number as affected by molecular diffusion in transient anomalous transport, which is one of the major knowledge gaps in anomalous transport, by combining Monte Carlo simulations and stochastic model analysis. Two alluvial settings containing either short- or long-connected hydrofacies are generated and used as media for flow and transport modeling. Numerical experiments show that 1) the Peclet number affects both the duration of the power-law segment of tracer breakthrough curves (BTCs) and the transition rate from anomalous to Fickian transport by determining the solute residence time for a given low-permeability layer, 2) mechanical dispersion has a limited contribution to the anomalous characteristics of late-time transport as compared to molecular diffusion due to an almost negligible velocity in floodplain deposits, and 3) the initial source dimensions only enhance the power-law tail of the BTCs at short travel distances. A tempered stable stochastic (TSS) model is then applied to analyze the modeled transport. Applications show that the time-nonlocal parameters in the TSS model relate to the Peclet number, Pe. In particular, the truncation parameter in the TSS model increases nonlinearly with a decrease in Pe due to the decrease of the mean residence time, and the capacity coefficient increases with an increase in molecular diffusion which is probably due to the increase in the number of immobile particles. The above numerical experiments and stochastic analysis therefore reveal that the Peclet number as affected by molecular diffusion controls transient anomalous transport in alluvial aquifer-aquitard complexes.

  6. Peclet number as affected by molecular diffusion controls transient anomalous transport in alluvial aquifer-aquitard complexes

    USGS Publications Warehouse

    Zhang, Yong; Green, Christopher T.; Tick, Geoffrey R.

    2015-01-01

    This study evaluates the role of the Peclet number as affected by molecular diffusion in transient anomalous transport, which is one of the major knowledge gaps in anomalous transport, by combining Monte Carlo simulations and stochastic model analysis. Two alluvial settings containing either short- or long-connected hydrofacies are generated and used as media for flow and transport modeling. Numerical experiments show that 1) the Peclet number affects both the duration of the power-law segment of tracer breakthrough curves (BTCs) and the transition rate from anomalous to Fickian transport by determining the solute residence time for a given low-permeability layer, 2) mechanical dispersion has a limited contribution to the anomalous characteristics of late-time transport as compared to molecular diffusion due to an almost negligible velocity in floodplain deposits, and 3) the initial source dimensions only enhance the power-law tail of the BTCs at short travel distances. A tempered stable stochastic (TSS) model is then applied to analyze the modeled transport. Applications show that the time-nonlocal parameters in the TSS model relate to the Peclet number, Pe. In particular, the truncation parameter in the TSS model increases nonlinearly with a decrease in Pe due to the decrease of the mean residence time, and the capacity coefficient increases with an increase in molecular diffusion which is probably due to the increase in the number of immobile particles. The above numerical experiments and stochastic analysis therefore reveal that the Peclet number as affected by molecular diffusion controls transient anomalous transport in alluvial aquifer–aquitard complexes.

  7. Light-driven solute transport in Halobacterium halobium

    NASA Technical Reports Server (NTRS)

    Lanyi, J. K.

    1979-01-01

    The cell membrane of Halobacterium halobium exhibits differential regions which contain crystalline arrays of a single kind of protein, termed bacteriorhodopsin. This bacterial retinal-protein complex resembles the visual pigment and, after the absorption of protons, translocates H(+) across the cell membrane, leading to an electrochemical gradient for protons between the inside and the outside of the cell. Thus, light is an alternate source of energy in these bacteria, in addition to terminal oxidation. The paper deals with work on light-driven transport in H. halobium with cell envelope vesicles. The discussion covers light-driven movements of H(+), Na(+), and K(+); light-driven amino acid transport; and apparent allosteric control of amino acid transport. The scheme of energy coupling in H. halobium vesicles appears simple, its quantitative details are quite complex and reveal regulatory phenomena. More knowledge is required of the way the coupling components are regulated by the ion gradients present.

  8. Computer model of two-dimensional solute transport and dispersion in ground water

    USGS Publications Warehouse

    Konikow, Leonard F.; Bredehoeft, J.D.

    1978-01-01

    This report presents a model that simulates solute transport in flowing ground water. The model is both general and flexible in that it can be applied to a wide range of problem types. It is applicable to one- or two-dimensional problems involving steady-state or transient flow. The model computes changes in concentration over time caused by the processes of convective transport, hydrodynamic dispersion, and mixing (or dilution) from fluid sources. The model assumes that the solute is non-reactive and that gradients of fluid density, viscosity, and temperature do not affect the velocity distribution. However, the aquifer may be heterogeneous and (or) anisotropic. The model couples the ground-water flow equation with the solute-transport equation. The digital computer program uses an alternating-direction implicit procedure to solve a finite-difference approximation to the ground-water flow equation, and it uses the method of characteristics to solve the solute-transport equation. The latter uses a particle- tracking procedure to represent convective transport and a two-step explicit procedure to solve a finite-difference equation that describes the effects of hydrodynamic dispersion, fluid sources and sinks, and divergence of velocity. This explicit procedure has several stability criteria, but the consequent time-step limitations are automatically determined by the program. The report includes a listing of the computer program, which is written in FORTRAN IV and contains about 2,000 lines. The model is based on a rectangular, block-centered, finite difference grid. It allows the specification of any number of injection or withdrawal wells and of spatially varying diffuse recharge or discharge, saturated thickness, transmissivity, boundary conditions, and initial heads and concentrations. The program also permits the designation of up to five nodes as observation points, for which a summary table of head and concentration versus time is printed at the end of the

  9. Boundary effects on solute transport in finite soil columns

    NASA Astrophysics Data System (ADS)

    Schwartz, R. C.; McInnes, K. J.; Juo, A. S. R.; Wilding, L. P.; Reddell, D. L.

    1999-03-01

    This study investigates the influence of inlet and outlet disturbances and formulated boundary conditions on the estimation of the dispersion coefficient and retardation factor for short soil columns. Unsaturated miscible displacement experiments utilizing a Br- tracer were carried out on undisturbed columns of a fine-textured Ultisol. Solutions were applied using either a fritted plate or an array of dispensing tips that produced droplets at a prescribed flow rate. One- and two-layer analytical solutions of the advective-dispersive equation were fitted to effluent concentrations using nonlinear least squares parameter optimization. Comparison of two-layer simulations with experimental data indicated that the analytical solution with a semi-infinite interface boundary best approximated effluent concentrations under the conditions of this study. This solution corresponds to a continuous flux concentration and a macroscopically discontinuous resident concentration at the interface between the soil and porous plates. Parameter estimates were not significantly different with respect to the application method used at the inlet. This may be attributed to a less uniform distribution of solution onto the soil surface by the drip apparatus and/or by the presence of stagnant regions within the inlet reservoir and hence increased dispersion within the inlet platen apparatus. Two-layer simulations indicated that the dispersion coefficient was underestimated by 14-27% when the influence of the inlet and outlet apparatus were not included in the fitted solution of the advective-dispersive equation. In addition, use of one-layer analytical solutions caused the retardation factor to be overestimated by no more than the fractional increase in pore volume imparted by the platen apparatus.

  10. Influence of spatial and temporal flow variability on solute transport in catchments

    NASA Astrophysics Data System (ADS)

    Selroos, Jan-Olof; Destouni, Georgia

    2015-04-01

    The present study quantifies the separate and combined effects of spatial and temporal variability of waterborne solute transport through catchments. The questions addressed are whether, when and why different types of variability may dominate catchment-scale transport. We utilize a versatile numerical solute transport code with a particle-based Monte Carlo time domain random walk method to simulate waterborne transport through a generic catchment. The methodology is exemplified by performing simulations using data on spatiotemporal flow and transport variability from direct stream discharge observations and independently calculated advective solute travel time distributions for catchments within the water management district Northern Baltic Proper (NBP) in Mid-Eastern Sweden. A main conclusion of the study is that projections of catchment mass loading based on spatial variability alone are robust estimates of long-term average solute transport development. This is especially true when annually aggregated mass load rather than finer temporal resolution of mass flux is considered. Temporal variability yields short-term fluctuations around the long-term average solute breakthrough development, and earlier or later arrival than the latter, depending on the timing and duration of solute input relative to the temporal flow variability. The exact temporal characteristics of future solute breakthroughs are thus fundamentally uncertain but their statistical expectation may be well quantified by only spatial variability account.

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

    USGS Publications Warehouse

    Glover, K.C.

    1987-01-01

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

  12. Optimal heat transport solutions for Rayleigh-Bénard convection

    NASA Astrophysics Data System (ADS)

    Sondak, David; Smith, Leslie M.; Waleffe, Fabian

    2015-12-01

    Steady flows that optimize heat transport are obtained for two-dimensional Rayleigh-B\\'enard convection with no-slip horizontal walls for a variety of Prandtl numbers $Pr$ and Rayleigh number up to $Ra\\sim 10^9$. Power law scalings of $Nu\\sim Ra^{\\gamma}$ are observed with $\\gamma\\approx 0.31$, where the Nusselt number $Nu$ is a non-dimensional measure of the vertical heat transport. Any dependence of the scaling exponent on $Pr$ is found to be extremely weak. On the other hand, the presence of two local maxima of $Nu$ with different horizontal wavenumbers at the same $Ra$ leads to the emergence of two different flow structures as candidates for optimizing the heat transport. For $Pr \\lesssim 7$, optimal transport is achieved at the smaller maximal wavenumber. In these fluids, the optimal structure is a plume of warm rising fluid which spawns left/right horizontal arms near the top of the channel, leading to downdrafts adjacent to the central updraft. For $Pr > 7$ at high-enough Ra, the optimal structure is a single updraft absent significant horizontal structure, and characterized by the larger maximal wavenumber.

  13. 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...

  14. Role of transportation in the persuasion process: cognitive and affective responses to antidrug narratives.

    PubMed

    Banerjee, Smita C; Greene, Kathryn

    2012-01-01

    This study examined transportation effects of first- and third-person narratives as well as the role of transportation in the persuasion process. In particular, the authors evaluated the role of transportation in affecting cognitive and affective responses. Last, they addressed the relation between (a) cognitive and affective responses and (b) antidrug expectancies. Participants were 500 undergraduate students at a large northern university in the United Kingdom who were randomly assigned to 1 of 2 conditions: first- or third-person narratives on cocaine use. The results demonstrated that there was no difference between first- and third-person narratives in terms of transportation. However, overall, greater transportation was associated with more favorable cognitive responses, and more favorable cognitive response was associated with stronger anticocaine expectancies. In terms of affective responses, results indicated the mediating role of sadness and contentment in the association between transportation and anticocaine expectancies. In particular, increased transportation was associated with greater sadness and lower contentment. Lower sadness and contentment were associated with stronger anticocaine expectancies. Important theoretical and empirical implications are discussed.

  15. Modeling solute transport in distribution networks with variable demand and time step sizes.

    SciTech Connect

    Peyton, Chad E.; Bilisoly, Roger Lee; Buchberger, Steven G.; McKenna, Sean Andrew; Yarrington, Lane

    2004-06-01

    The effect of variable demands at short time scales on the transport of a solute through a water distribution network has not previously been studied. We simulate flow and transport in a small water distribution network using EPANET to explore the effect of variable demand on solute transport across a range of hydraulic time step scales from 1 minute to 2 hours. We show that variable demands at short time scales can have the following effects: smoothing of a pulse of tracer injected into a distribution network and increasing the variability of both the transport pathway and transport timing through the network. Variable demands are simulated for these different time step sizes using a previously developed Poisson rectangular pulse (PRP) demand generator that considers demand at a node to be a combination of exponentially distributed arrival times with log-normally distributed intensities and durations. Solute is introduced at a tank and at three different network nodes and concentrations are modeled through the system using the Lagrangian transport scheme within EPANET. The transport equations within EPANET assume perfect mixing of the solute within a parcel of water and therefore physical dispersion cannot occur. However, variation in demands along the solute transport path contribute to both removal and distortion of the injected pulse. The model performance measures examined are the distribution of the Reynolds number, the variation in the center of mass of the solute across time, and the transport path and timing of the solute through the network. Variation in all three performance measures is greatest at the shortest time step sizes. As the scale of the time step increases, the variability in these performance measures decreases. The largest time steps produce results that are inconsistent with the results produced by the smaller time steps.

  16. A transportronic solution to the problem of interorbital transportation

    NASA Technical Reports Server (NTRS)

    Brown, William C.

    1992-01-01

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

  17. A transportronic solution to the problem of interorbital transportation

    NASA Astrophysics Data System (ADS)

    Brown, William C.

    1992-07-01

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

  18. The practical side of solute transport modelling for optimized remediation

    NASA Astrophysics Data System (ADS)

    Paster, Amir

    2015-04-01

    "Pump and Treat" (P&T) is a debated, yet common, practice for removing a (large) contaminant plume and treating it ex-situ. An optimal design of P&T usually involves a model for the fate and transport of contaminants in the aquifer. Different pumping setups are considered, and removal rates are calculated. The flow model is typically based on the available set of geological data, which is usually rather limited, and on data measured in wells, including well tests and historical measurements of head. The transport model, in turn, is typically based on an extremely limited number of concentration measurements and on various rough assumptions regarding the sources and sinks of the contaminant. Thus, the resulting model is suffering of large inaccuracies, and decision making based on such model is rather limited. In addition, such models usually use rather large numerical cells, and (accordingly) rather large value of longitudinal dispersivity (alpha_L). The calibration of this parameter is typically based on concentration data obtained after the discovery of the contaminant. It is common that when the contamination is discovered, production wells are shut down and the flow in the area of the plume becomes a regional one. Thus, it is reasonable to hypothesize that the prediction of transport close to the P&T wells may result in exaggerated mixing of the plume at this zone of radially converging flow. An example to such model, focused on a Perchlorate spill in the coastal aquifer of Israel, is discussed.

  19. Solute transport and retention in three-dimensional fracture networks

    NASA Astrophysics Data System (ADS)

    Cvetkovic, Vladimir; Frampton, Andrew

    2012-02-01

    Resolving the hydrodynamic control of retention is an important step in predictive modeling of transport of sorbing tracers in fractured rock. The statistics of the transport resistance parameter β [T/L] and the related effective active specific surface area sf [1/L] are studied in a crystalline rock volume on a 100 m scale. Groundwater flow and advective transport are based on generic boundary conditions and realistic discrete fracture networks inferred from the Laxemar site, southeast Sweden. The overall statistics of β are consistent with statistics of the water residence time τ; the moments of β vary linearly with distance, at least up to 100 m. The correlation between log τ and log β is predominantly linear, however, there is significant dispersion; the parameter sf strongly depends on the assumed hydraulic law (theoretical cubic or empirical quadratic). Fast and slow trajectories/segments in the network determine the shape of the β distribution that cannot be reproduced by infinitely divisible model over the entire range; the low value range and median can be reproduced reasonably well with the tempered one-sided stable density using the exponent in the range 0.35-0.7. The low percentiles of the β distribution seems to converge to a Fickian type of behavior from a 50 to 100 m scale.

  20. Numerical fluid solutions for nonlocal electron transport in hot plasmas: Equivalent diffusion versus nonlocal source

    SciTech Connect

    Colombant, Denis Manheimer, Wallace

    2010-06-01

    Flux limitation and preheat are important processes in electron transport occurring in laser produced plasmas. The proper calculation of both of these has been a subject receiving much attention over the entire lifetime of the laser fusion project. Where nonlocal transport (instead of simple single flux limit) has been modeled, it has always been with what we denote the equivalent diffusion solution, namely treating the transport as only a diffusion process. We introduce here a new approach called the nonlocal source solution and show it is numerically viable for laser produced plasmas. It turns out that the equivalent diffusion solution generally underestimates preheat. Furthermore, the advance of the temperature front, and especially the preheat, can be held up by artificial 'thermal barriers'. The nonlocal source method of solution, on the other hand more accurately describes preheat and can stably calculate the solution for the temperature even if the heat flux is up the gradient.

  1. Relationship between Microtubule Network Structure and Intracellular Transport in Cultured Endothelial Cells Affected by Shear Stress

    NASA Astrophysics Data System (ADS)

    Kudo, Susumu; Ikezawa, Kenji; Ikeda, Mariko; Tanishita, Kazuo

    Endothelial cells (ECs) that line the inner surface of blood vessels are barriers to the transport of various substances into or from vessel walls, and are continuously exposed to shear stress induced by blood flow in vivo. Shear stress affects the cytoskeleton (e.g., microtubules, microfilaments, intermediate filaments), and affects the transport of macromolecules. Here, the relationship between the microtubule network structure and this transport process for albumin uptake within cultured aortic endothelial cells affected by shear stress was studied. Based on fluorescent images of albumin uptake obtained by using confocal laser scanning microscopy (CLSM), both the microtubule network and albumin uptake in ECs were disrupted by colchicine and were affected by shear stress loading.

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

  3. Fractional Advective-Dispersive Equation as a Model of Solute Transport in Porous Media

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Understanding and modeling transport of solutes in porous media is a critical issue in the environmental protection. The common model is the advective-dispersive equation (ADE) describing the superposition of the advective transport and the Brownian motion in water-filled pore space. Deviations from...

  4. Water Flow and Solute Transport in Heterogeneous Soils: A new Multicompartment Sampler and a Theoretical Toolkit for Data Analysis

    NASA Astrophysics Data System (ADS)

    de Rooij, G. H.; Hogervorst, F. A.; Bloem, E.; Stagnitti, F.; Cirpka, O. A.

    2007-12-01

    Water flow and solute transport in soils are invariably affected by heterogeneity and often by preferential flow, both typically occurring within 1 square meter. Paradoxically, we need to understand flow and transport at this small scale to quantify them at the field and regional scales. This paradox arises from the geometry of soils: the scale in the direction of the flow is orders of magnitude smaller than the scales perpendicular to it. We present a coherent package of experimental and theoretical tools to observe and analyze small-scale variations (within 0.1- 1 square meter) of water and solute fluxes. Multicompartment samplers can measure small-scale water and solute movement in space and time, particularly in temperate climates. The latest generation of samplers allows repeated extraction of percolate samples in situ under controlled suction to minimize disturbance of the unsaturated flow field. After discussing the general principle of such samplers, a method will be presented to estimate the required total sampling area of a sampler from the degree of flow convergence in a soil. In recent years, we improved our ability to analyze the data produced by multicompartment samplers. The spatial solute distribution curve as the spatial equivalent of the travel time distribution was parameterized and physically interpreted. Both distributions were unified in the leaching surface, which has tremendous potential for detailed interpretation and model evaluation. Multicompartment samplers can also help identify the nature of the solute transport process. Recently, we expanded the theory of solute dilution to make it applicable to multicompartment sampler data. We will demonstrate how dilution theory can be used to determine the predominance of a convective-dispersive or a stochastic-convective transport regime during a tracer experiment.

  5. The Governor's Challenge: "Building a Stronger Virginia Today": Transportation Visions and Solutions

    NASA Technical Reports Server (NTRS)

    Baker, Susan

    2008-01-01

    Using STM(Science, Technology, Engineering, Math) education, this emerging workforce will have the chance to creatively solve one of Virginia's biggest challenges: TRANSPORTATION. - Students will be asked to develop alternative transportation systems for the state. This competition will enable teams to work with business mentors to design creative solutions for regional gridlocks and develop other transportation systems to more easily and expediently reach all parts of the Commonwealth.

  6. Local- and field-scale stochastic-advective vertical solute transport in horizontally heterogeneous unsaturated soils

    NASA Astrophysics Data System (ADS)

    Ojha, Richa; Prakash, A.; Govindaraju, Rao S.

    2014-08-01

    Description of field-scale solute transport in unsaturated soils is essential for assessing the degree of contamination, estimating fluxes past a control plane and for designing remedial measures. The flow field is usually described by numerical solution of the Richards equation followed by numerical solution of the advection-dispersion equation to describe contaminant movement. These numerical solutions are highly complex, and do not provide the insights that are possible from simpler analytical representations. In this study, analytical solutions at the local scale are developed to describe purely advective vertical transport of a conservative solute along the principle characteristic of the flow field. Local-scale model development is simplified by using a sharp-front approximation for water movement. These local solutions are then upscaled to field-scale solute transport by adopting a lognormally distributed horizontal hydraulic conductivity field to represent the natural heterogeneity observed in field soils. Analytical expressions are developed for the mean behavior of solute transport at the field scale. Comparisons with experimental observations find that trends of field-scale solute behavior are reasonably reproduced by the model. The accuracy of the proposed solution improves with increasing spatial variability in the hydraulic conductivity as revealed by further comparisons with numerical results of the Richards equation-based field-scale solute movement. In some cases, the sharp-front approximation may lead to anomalous field-scale behavior depending on the role of pre and postponded conditions in the field, and this limitation is discussed. The proposed method shows promise for describing field-scale solute movement in loamy sand and sandy loam soils.

  7. Analytical solutions of solute transport in a fracture-matrix system with different reaction rates for fracture and matrix

    NASA Astrophysics Data System (ADS)

    Zhu, Yonghui; Zhan, Hongbin; Jin, Menggui

    2016-08-01

    This study deals with the problem of reactive solute transport in a fracture-matrix system using both analytical and numerical modeling methods. The groundwater flow velocity in the fracture is assumed to be high enough (no less than 0.1 m/day) to ensure the advection-dominant transport in the fracture. The problem includes advection along the fracture, transverse diffusion in the matrix, with linear sorption as well as first-order reactions operative in both the fracture and the matrix. A constant-concentration boundary condition and a decay source boundary condition in the fracture are considered. With a constant-concentration source, we obtain closed-form analytical solutions that account for the transport without reaction as well as steady-state solutions with different first-order reactions in the two media. With a decay source, a semi-analytical solution is obtained. The analytical and semi-analytical solutions are in excellent agreement with the numerical simulation results obtained using COMSOL Multiphysics. Sensitivity analysis is conducted to assess the relative importance of matrix diffusion coefficient, fracture aperture, and matrix porosity. We conclude that the first-order reaction as well as the matrix diffusion in the fractured rock would decrease the solute peak concentration and shorten the penetration distance into the fracture. The solutions can be applied to assess the spatial-temporal distribution of concentrations in the fracture and the matrix as well as to assess the contaminant mass stored in the rock matrix. All of these are useful for designing remediation plans for contaminated fractured rocks or for risk assessment of contaminated fracture-matrix systems.

  8. 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...

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

  10. Impact of biofilm-induced heterogeneities on solute transport in porous media

    NASA Astrophysics Data System (ADS)

    Kone, T.; Golfier, F.; Orgogozo, L.; Oltéan, C.; Lefèvre, E.; Block, J. C.; Buès, M. A.

    2014-11-01

    In subsurface systems, biofilm may degrade organic or organometallic pollutants contributing to natural attenuation and soil bioremediation techniques. This increase of microbial activity leads to change the hydrodynamic properties of aquifers. The purpose of this work was to investigate the influence of biofilm-induced heterogeneities on solute transport in porous media and more specifically on dispersivity. We pursued this goal by (i) monitoring both spatial concentration fields and solute breakthrough curves from conservative tracer experiments in a biofilm-supporting porous medium, (ii) characterizing in situ the changes in biovolume and visualizing the dynamics of the biological material at the mesoscale. A series of experiments was carried out in a flow cell system (60 cm3) with a silica sand (Φ = 50-70 mesh) as solid carrier and Shewanella oneidensis MR-1 as bacterial strain. Biofilm growth was monitored by image acquisition with a digital camera. The biofilm volume fraction was estimated through tracer experiments with the Blue Dextran macromolecule as in size-exclusion chromatography, leading to a fair picture of the biocolonization within the flow cell. Biofilm growth was achieved in the whole flow cell in 29 days and up to 50% of void space volume was plugged. The influence of biofilm maturation on porous medium transport properties was evaluated from tracer experiments using Brilliant Blue FCF. An experimental correlation was found between effective (i.e., nonbiocolonized) porosity and biofilm-affected dispersivity. Comparison with values given by the theoretical model of Taylor and Jaffé (1990b) yields a fair agreement.

  11. An Evaluation of Conditioning Data for Solute Transport Prediction

    SciTech Connect

    Scheibe, Timothy D.; Chien, Yi-Ju

    2003-03-01

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

  12. Implicitly causality enforced solution of multidimensional transient photon transport equation.

    PubMed

    Handapangoda, Chintha C; Premaratne, Malin

    2009-12-21

    A novel method for solving the multidimensional transient photon transport equation for laser pulse propagation in biological tissue is presented. A Laguerre expansion is used to represent the time dependency of the incident short pulse. Owing to the intrinsic causal nature of Laguerre functions, our technique automatically always preserve the causality constrains of the transient signal. This expansion of the radiance using a Laguerre basis transforms the transient photon transport equation to the steady state version. The resulting equations are solved using the discrete ordinates method, using a finite volume approach. Therefore, our method enables one to handle general anisotropic, inhomogeneous media using a single formulation but with an added degree of flexibility owing to the ability to invoke higher-order approximations of discrete ordinate quadrature sets. Therefore, compared with existing strategies, this method offers the advantage of representing the intensity with a high accuracy thus minimizing numerical dispersion and false propagation errors. The application of the method to one, two and three dimensional geometries is provided. PMID:20052050

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

    USGS Publications Warehouse

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

    1987-01-01

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

  14. Biochar pyrolyzed at two temperatures affects Escherichia coli transport through a sandy soil.

    PubMed

    Bolster, Carl H; Abit, Sergio M

    2012-01-01

    The incorporation of biochar into soils has been proposed as a means to sequester carbon from the atmosphere. An added environmental benefit is that biochar has also been shown to increase soil retention of nutrients, heavy metals, and pesticides. The goal of this study was to evaluate whether biochar amendments affect the transport of Escherichia coli through a water-saturated soil. We looked at the transport of three E. coli isolates through 10-cm columns packed with a fine sandy soil amended with 2 or 10% (w/w) poultry litter biochar pyrolyzed at 350 or 700°C. For all three isolates, mixing the high-temperature biochar at a rate of 2% into the soil had no impact on transport behavior. When added at a rate of 10%, a reduction of five orders of magnitude in the amount of E. coli transported through the soil was observed for two of the isolates, and a 60% reduction was observed for the third isolate. Mixing the low-temperature biochar into the soil resulted in enhanced transport through the soil for two of the isolates, whereas no significant differences in transport behavior were observed between the low-temperature and high-temperature biochar amendments for one isolate. Our results show that the addition of biochar can affect the retention and transport behavior of E. coli and that biochar application rate, biochar pyrolysis temperature, and bacterial surface characteristics were important factors determining the transport of E. coli through our test soil. PMID:22218181

  15. Temporal evolution of pore geometry, fluid flow, and solute transport resulting from colloid deposition

    SciTech Connect

    Chen, Cheng; Lau, Boris L.; Gaillard, J.-F.; Packman, A.I.

    2010-01-22

    Deposition of colloidal particles is one of many processes that lead to the evolution of the structure of natural porous media in groundwater aquifers, oil reservoirs, and sediment beds. Understanding of the mechanisms and effects of this type of structural evolution has been limited by a lack of direct observations of pore structure. Here, synchrotron X-ray difference microtomography (XDMT) was used to resolve the temporal evolution of pore structure and the distribution of colloidal deposits within a granular porous medium. Column filtration experiments were performed to observe the deposition of relatively high concentrations of colloidal zirconia (200 mg/l of particles having diameter {approx}1 {micro}m) in a packed bed of glass beads (diameters 210-300 {micro}m). Noninvasive XDMT imaging of the pore structure was performed three separate times during each column experiment. The structural information observed at each time was used to define internal boundary conditions for three-dimensional lattice Boltzmann (LB) simulations that show how the evolving pore structure affects pore fluid flow and solute transport. While the total deposit mass increased continuously over time, colloid deposition was observed to be highly heterogeneous and local colloid detachment was observed at some locations in a low ionic strength medium. LB simulations indicated that particle accumulation greatly reduced the permeability of the porous medium while increasing the tortuosity. The colloidal deposits also increased the spatial variability in pore water velocities, leading to higher dispersion coefficients. Anomalous dispersion behavior was investigated by simulation at the scale of the experimental system: weak tailing was found in the clean bed case, and the extent of tailing greatly increased following colloid deposition because of the development of extensive no-flow regions. As a result of this coupling between pore fluid flow, colloid accumulation, and the pore geometry

  16. Solute transport modeling using morphological parameters of step-pool reaches

    NASA Astrophysics Data System (ADS)

    JiméNez, Mario A.; Wohl, Ellen

    2013-03-01

    Step-pool systems have been widely studied during the past few years, resulting in enhanced knowledge of mechanisms for sediment transport, energy dissipation and patterns of self-organization. We use rhodamine tracer data collected in nine step-pool reaches during high, intermediate and low flows to explore scaling of solute transport processes. Using the scaling patterns found, we propose an extension of the Aggregated Dead Zone (ADZ) approach for solute transport modeling based on the morphological features of step-pool units and their corresponding inherent variability within a stream reach. In addition to discharge, the reach-average bankfull width, mean step height, and the ratio of pool length to step-to-step length can be used as explanatory variables for the dispersion process within the studied reaches. These variables appeared to be sufficient for estimating ADZ model parameters and simulating solute transport in predictive mode for applications in reaches lacking tracer data.

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

    SciTech Connect

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

    1984-10-01

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

  18. Pulse exposure of cultured rat neurons to aluminum-maltol affected the axonal transport system.

    PubMed

    Kashiwagi, Y; Nakamura, Y; Miyamae, Y; Hashimoto, R; Takeda, M

    1998-08-01

    Although chronic aluminum neurotoxicity has been well established, the mechanism of the toxicity has not been elucidated yet. In order to simplify the study of the aluminum neurotoxicity, we employed the pulse exposure of cultured rat cortical neurons to 250 microM aluminum-maltol for 1 h at the early stage (6 h after plating), which resulted in abnormal distribution of neurofilament L (NFL) and fast axonal transported proteins, whereas the axonal transport of tubulin, actin, and clathrin were not impaired. Otherwise, the pulse exposure of neurons at the late stage (4 days after plating) to the same concentration of aluminum-maltol did not affect the cell morphology and the distribution of NFL. The pulse exposure of cultured neurons to aluminum-maltol at the early stage might affect the axonal transport system of NFL and fast axonal transported proteins. PMID:9756345

  19. Charge transport in DNA in solution: The role of polarons

    PubMed Central

    Conwell, Esther M.

    2005-01-01

    Since the discovery a decade ago of rapid photoinduced electron transfer in DNA over a distance >4 nm, a large number of experiments and theories have been advanced in the attempt to characterize the transfer, mainly of a radical cation or hole. Particularly influential experiments were carried out by Giese [Giese, B. (2000) Acc. Chem. Res. 33, 631–636] on the sequence G(A)nGGG, where G is guanine and A is adenine. These experiments were interpreted as showing that for n > 3, after the holes tunnel through the first three As, they hop onto the bridge of As, where they are localized on a single A and travel further by hopping between neighboring As. Recent experiments of Barton and coworkers [Shao, F., O'Neill, M. A. & Barton, J. K. (2004) Proc. Natl. Acad. Sci. USA 101, 17914–17919] have, however, established that the hole wavefunctions are delocalized. One of the mechanisms based on delocalized hole wavefunctions that had been investigated, both experimentally and theoretically, is transport by polarons. For one type of polaron, the properties are determined by polarization of the surrounding medium (water and ions, in this case). Theory predicts that this type of polaron is delocalized over approximately four bases in DNA. Transport by these polarons could explain the results of Giese et al. [Giese, B., Amaudrut, J., Köhler, A.-K., Spormann, M. & Wessely, S. (2001) Nature 412, 318–320], recent experimental results of O'Neill and Barton [O'Neill, M. A. & Barton, J. K. (2004) J. Am. Chem. Soc. 126, 11471–11483] concerning the size of the region over which the hole is delocalized, and other experimental observations. PMID:15956188

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

    NASA Astrophysics Data System (ADS)

    Li, Weiyao; Huang, Guanhua; Xiong, Yunwu

    2016-04-01

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

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

    USGS Publications Warehouse

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

    2006-01-01

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

  2. Facilities, breed and experience affect ease of sheep handling: the livestock transporter's perspective.

    PubMed

    Burnard, C L; Pitchford, W S; Hocking Edwards, J E; Hazel, S J

    2015-08-01

    An understanding of the perceived importance of a variety of factors affecting the ease of handling of sheep and the interactions between these factors is valuable in improving profitability and welfare of the livestock. Many factors may contribute to animal behaviour during handling, and traditionally these factors have been assessed in isolation under experimental conditions. A human social component to this phenomenon also exists. The aim of this study was to gain a deeper understanding of the importance of a variety of factors affecting ease of handling, and the interactions between these from the perspective of the livestock transporter. Qualitative interviews were used to investigate the factors affecting sheep behaviour during handling. Interview transcripts underwent thematic analysis. Livestock transporters discussed the effects of attitudes and behaviours towards sheep, helpers, facilities, distractions, environment, dogs and a variety of sheep factors including breed, preparation, experience and sex on sheep behaviour during handling. Transporters demonstrated care and empathy and stated that patience and experience were key factors determining how a person might deal with difficult sheep. Livestock transporters strongly believed facilities (ramps and yards) had the greatest impact, followed by sheep experience (naivety of the sheep to handling and transport) and breed. Transporters also discussed the effects of distractions, time of day, weather, dogs, other people, sheep preparation, body condition and sheep sex on ease of handling. The concept of individual sheep temperament was indirectly expressed.

  3. Facilities, breed and experience affect ease of sheep handling: the livestock transporter's perspective.

    PubMed

    Burnard, C L; Pitchford, W S; Hocking Edwards, J E; Hazel, S J

    2015-08-01

    An understanding of the perceived importance of a variety of factors affecting the ease of handling of sheep and the interactions between these factors is valuable in improving profitability and welfare of the livestock. Many factors may contribute to animal behaviour during handling, and traditionally these factors have been assessed in isolation under experimental conditions. A human social component to this phenomenon also exists. The aim of this study was to gain a deeper understanding of the importance of a variety of factors affecting ease of handling, and the interactions between these from the perspective of the livestock transporter. Qualitative interviews were used to investigate the factors affecting sheep behaviour during handling. Interview transcripts underwent thematic analysis. Livestock transporters discussed the effects of attitudes and behaviours towards sheep, helpers, facilities, distractions, environment, dogs and a variety of sheep factors including breed, preparation, experience and sex on sheep behaviour during handling. Transporters demonstrated care and empathy and stated that patience and experience were key factors determining how a person might deal with difficult sheep. Livestock transporters strongly believed facilities (ramps and yards) had the greatest impact, followed by sheep experience (naivety of the sheep to handling and transport) and breed. Transporters also discussed the effects of distractions, time of day, weather, dogs, other people, sheep preparation, body condition and sheep sex on ease of handling. The concept of individual sheep temperament was indirectly expressed. PMID:25874817

  4. Coupling of hydrologic transport and chemical reactions in a stream affected by acid mine drainage

    USGS Publications Warehouse

    Kimball, B.A.; Broshears, R.E.; Bencala, K.E.; McKnight, Diane M.

    1994-01-01

    Experiments in St. Kevin Gulch, an acid mine drainage stream, examined the coupling of hydrologic transport to chemical reactions affecting metal concentrations. Injection of LiCl as a conservative tracer was used to determine discharge and residence time along a 1497-m reach. Transport of metals downstream from inflows of acidic, metal-rich water was evaluated based on synoptic samples of metal concentrations and the hydrologic characteristics of the stream. Transport of SO4 and Mn was generally conservative, but in the subreaches most affected by acidic inflows, transport was reactive. Both 0.1-??m filtered and particulate Fe were reactive over most of the stream reach. Filtered Al partitioned to the particulate phase in response to high instream concentrations. Simulations that accounted for the removal of SO4, Mn, Fe, and Al with first-order reactions reproduced the steady-state profiles. The calculated rate constants for net removal used in the simulations embody several processes that occur on a stream-reach scale. The comparison between rates of hydrologie transport and chemical reactions indicates that reactions are only important over short distances in the stream near the acidic inflows, where reactions occur on a comparable time scale with hydrologic transport and thus affect metal concentrations.

  5. Flow dynamics and solute transport in unsaturated rock fractures

    SciTech Connect

    Su, G. W.

    1999-10-01

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

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

    SciTech Connect

    Semenov, V.N.; Korotkin, I.A.; Pruess, K.; Goloviznin, V.M.; Sorokovikova, O.S.

    2009-09-15

    A stochastic model of anomalous diffusion was developed in which transport occurs by random motion of Brownian particles, described by distribution functions of random displacements with heavy (power-law) tails. One variant of an effective algorithm for random function generation with a power-law asymptotic and arbitrary factor of asymmetry is proposed that is based on the Gnedenko-Levy limit theorem and makes it possible to reproduce all known Levy {alpha}-stable fractal processes. A two-dimensional stochastic random walk algorithm has been developed that approximates anomalous diffusion with streamline-dependent and space-dependent parameters. The motivation for introducing such a type of dispersion model is the observed fact that tracers in natural aquifers spread at different super-Fickian rates in different directions. For this and other important cases, stochastic random walk models are the only known way to solve the so-called multiscaling fractional order diffusion equation with space-dependent parameters. Some comparisons of model results and field experiments are presented.

  7. D4Z - a new renumbering for iterative solution of ground-water flow and solute- transport equations

    USGS Publications Warehouse

    Kipp, K.L.; Russell, T.F.; Otto, J.S.

    1992-01-01

    D4 zig-zag (D4Z) is a new renumbering scheme for producing a reduced matrix to be solved by an incomplete LU preconditioned, restarted conjugate-gradient iterative solver. By renumbering alternate diagonals in a zig-zag fashion, a very low sensitivity of convergence rate to renumbering direction is obtained. For two demonstration problems involving groundwater flow and solute transport, iteration counts are related to condition numbers and spectra of the reduced matrices.

  8. Solute Transport in Eroded and Rehabilitated Prairie Landforms. 2. Reactive Solute

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Information regarding the impact of varying soil, landscape, and climate conditions on the off-site transport of pesticides is critical to the development of improved pesticide management practices. We quantified the rate of S-metolachlor dissipation after fall and spring application in eroded and r...

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

    USGS Publications Warehouse

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

    1998-01-01

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

  10. Automodel solutions for Lévy flight-based transport on a uniform background

    NASA Astrophysics Data System (ADS)

    Kukushkin, A. B.; Sdvizhenskii, P. A.

    2016-06-01

    A wide class of non-stationary superdiffusive transport on a uniform background with a power-law decay at large distances of the step-length probability distribution function (PDF) is shown to possess an approximate automodel solution. The solution for the Green’s function is constructed using the scaling laws for the propagation front (relevant-to-superdiffusion average displacement) and asymptotic solutions far beyond and far in advance of the propagation front. These scaling laws are determined essentially by the long-free-path carriers (Lévy flights). The validity of the suggested automodel solution is proved by its comparison with numerical solutions in the one-dimensional (1D) case of the transport equation with a simple long-tailed PDF with various power-law exponents and in the 3D case of the Biberman-Holstein equation of the resonance radiation transfer for various (Doppler, Lorentz, Voigt and Holtsmark) spectral line shapes.

  11. Structures and properties of sulfonated ionomers probed by transport and mechanical measurements: The role of solute activity

    NASA Astrophysics Data System (ADS)

    Zhao, Qiao

    attributed to polar solute induced re-clustering of the ionic domains. Two hydrocarbon model ionomer SPS and SPEEK were studied to further understand the structural-property relationships of ionomers. Water sorption and proton conductivity were enhanced with increasing ion content but water content was independent of ion content and proton conductivity scaled with hydrophilic volume fraction. Water transport was dependent on diffusion and interfacial transport, both of which were affected by the size and shape of the hydrophilic domains.

  12. 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.

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

    USGS Publications Warehouse

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

    2003-01-01

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

  14. Solute Transport in Cyclically Deformed Porous Tissue Scaffolds with Controlled Pore Cross-Sectional Geometries

    PubMed Central

    Op Den Buijs, Jorn; Lu, Lichun; Jorgensen, Steven M.; Dragomir-Daescu, Dan; Yaszemski, Michael J.

    2009-01-01

    The objective of this study was to investigate the influence of pore geometry on the transport rate and depth after repetitive mechanical deformation of porous scaffolds for tissue engineering applications. Flexible cubic imaging phantoms with pores in the shape of a circular cylinder, elliptic cylinder, and spheroid were fabricated from a biodegradable polymer blend using a combined 3D printing and injection molding technique. The specimens were immersed in fluid and loaded with a solution of a radiopaque solute. The solute distribution was quantified by recording 20 μm pixel-resolution images in an X-ray microimaging scanner at selected time points after intervals of dynamic straining with a mean strain of 8.6 ± 1.6% at 1.0 Hz. The results show that application of cyclic strain significantly increases the rate and depth of solute transport, as compared to diffusive transport alone, for all pore shapes. In addition, pore shape, pore size, and the orientation of the pore cross-sectional asymmetry with respect to the direction of strain greatly influence solute transport. Thus, pore geometry can be tailored to increase transport rates and depths in cyclically deformed scaffolds, which is of utmost importance when thick, metabolically functional tissues are to be engineered. PMID:19196145

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

    SciTech Connect

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

    2008-09-01

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

  16. Modeling of Macroscopic/Microscopic Transport and Growth Phenomena in Zeolite Crystal Solutions Under Microgravity Conditions

    NASA Technical Reports Server (NTRS)

    Gatsonis, Nikos A.; Alexandrou, Andreas; Shi, Hui; Ongewe, Bernard; Sacco, Albert, Jr.

    1999-01-01

    Crystals grown from liquid solutions have important industrial applications. Zeolites, for instance, a class of crystalline aluminosilicate materials, form the backbone of the chemical process industry worldwide, as they are used as adsorbents and catalysts. Many of the phenomena associated with crystal growth processes are not well understood due to complex microscopic and macroscopic interactions. Microgravity could help elucidate these phenomena and allow the control of defect locations, concentration, as well as size of crystals. Microgravity in an orbiting spacecraft could help isolate the possible effects of natural convection (which affects defect formation) and minimize sedimentation. In addition, crystals will stay essentially suspended in the nutrient pool under a diffusion-limited growth condition. This is expected to promote larger crystals by allowing a longer residence time in a high-concentration nutrient field. Among other factors, the crystal size distribution depends on the nucleation rate and crystallization. These two are also related to the "gel" polymerization/depolymerization rate. Macroscopic bulk mass and flow transport and especially gravity, force the crystals down to the bottom of the reactor, thus forming a sedimentation layer. In this layer, the growth rate of the crystals slows down as crystals compete for a limited amount of nutrients. The macroscopic transport phenomena under certain conditions can, however, enhance the nutrient supply and therefore, accelerate crystal growth. Several zeolite experiments have been performed in space with mixed results. The results from our laboratory have indicated an enhancement in size of 30 to 70 percent compared to the best ground based controls, and a reduction of lattice defects in many of the space grown crystals. Such experiments are difficult to interpret, and cannot be easily used to derive empirical or other laws since many physical parameters are simultaneously involved in the process

  17. 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)

  18. Pore connectivity effects on solute transport in rocks

    SciTech Connect

    Hu, Qinhong; Ewing, Robert P.

    2001-11-30

    Retardation of nuclear contaminants in rock matrices can lead to long retention times, allowing substantial radionuclide decay prior to eventual release. Imbibition and diffusion into the rock matrix can move contaminants away from an active fracture, thereby contributing to their retardation. However, diffusive transport in some rocks may behave anomalously because of their sparsely connected porespace, in contrast to diffusion in rocks with denser pore connections. We examined imbibition of weakly sorbing tracers into welded tuff and Indiana sandstone, and water imbibition into metagraywacke and Berea sandstone. Tuff samples were initially equilibrated to 12% and 76% water (v/v) within controlled humidity chambers, while the other rocks were air-dried. For imbibition, one face was exposed to water, with or without tracer, and uptake was measured over time. Following imbibition, tracer concentration measurements were made at fine (1 mm) increments. Three anomalous results were observed: (1) Indiana sandstone and metagraywacke showed mass of imbibed water scaling as time{sup 0.26}, while tuff and Berea sandstone showed the more classical scaling with time{sup 0.5}; (2) tracer movement into dry (2% initial saturation) Indiana sandstone showed a dispersion pattern similar to that expected during tracer movement into moist (76% initial saturation) tuff; and (3) tracer concentrations at the inlet face of the tuff sample were approximately twice those deeper inside the sample. The experiment was then modeled using random walk methods on a 3-D lattice with different values of pore coordination. Network model simulations that used a pore coordination of 1.49 for Indiana sandstone and 1.56 for metagraywacke showed similar temporal scaling, a result of their porespace being close to the percolation threshold. Tracer concentration profiles in Indiana sandstone and tuff were closely matched by simulations that used pore coordinations of 1.49 and 1.68, respectively, because of

  19. QUANTIFYING LOAD-INDUCED SOLUTE TRANSPORT AND SOLUTE-MATRIX INTERACTIONS WITHIN THE OSTEOCYTE LACUNAR-CANALICULAR SYSTEM

    PubMed Central

    Wang, Bin; Zhou, Xiaozhou; Price, Christopher; Li, Wen; Pan, Jun; Wang, Liyun

    2012-01-01

    Osteocytes, the most abundant cells in bone, are critical in maintaining tissue homeostasis and orchestrating bone’s mechanical adaptation. Osteocytes depend upon load-induced convection within the lacunar-canalicular system (LCS) to maintain viability and to sense their mechanical environment. Using the fluorescence recovery after photobleaching (FRAP) imaging approach, we previously quantified the convection of a small tracer (sodium fluorescein, 376Da) in the murine tibial LCS for an intermittent cyclic loading (Price et al., 2011. JBMR 26:277-85). In the present study we first expanded the investigation of solute transport using a larger tracer (parvalbumin, 12.3kDa), which is comparable in size to some signaling proteins secreted by osteocytes. Murine tibiae were subjected to sequential FRAP tests under rest-inserted cyclic loading while the loading magnitude (0, 2.8, or 4.8N) and frequency (0.5, 1, or 2 Hz) were varied. The characteristic transport rate k and the transport enhancement relative to diffusion (k/k0) were measured under each loading condition, from which the peak solute velocity in the LCS was derived using our LCS transport model. Both the transport enhancement and solute velocity increased with loading magnitude and decreased with loading frequency. Furthermore, the solute-matrix interactions, quantified in terms of the reflection coefficient through the osteocytic pericellular matrix (PCM), were measured and theoretically modeled. The reflection coefficient of parvalbumin (σ=0.084) was derived from the differential fluid and solute velocities within loaded bone. Using a newly developed PCM sieving model, the PCM’s fiber configurations accounting for the measured interactions were obtained for the first time. The present study provided not only new data on the micro-fluidic environment experienced by osteocytes in situ, but also a powerful quantitative tool for future study of the PCM, the critical interface that controls both outside

  20. Numerical study of wave effects on groundwater flow and solute transport in a laboratory beach.

    PubMed

    Geng, Xiaolong; Boufadel, Michel C; Xia, Yuqiang; Li, Hailong; Zhao, Lin; Jackson, Nancy L; Miller, Richard S

    2014-09-01

    A numerical study was undertaken to investigate the effects of waves on groundwater flow and associated inland-released solute transport based on tracer experiments in a laboratory beach. The MARUN model was used to simulate the density-dependent groundwater flow and subsurface solute transport in the saturated and unsaturated regions of the beach subjected to waves. The Computational Fluid Dynamics (CFD) software, Fluent, was used to simulate waves, which were the seaward boundary condition for MARUN. A no-wave case was also simulated for comparison. Simulation results matched the observed water table and concentration at numerous locations. The results revealed that waves generated seawater-groundwater circulations in the swash and surf zones of the beach, which induced a large seawater-groundwater exchange across the beach face. In comparison to the no-wave case, waves significantly increased the residence time and spreading of inland-applied solutes in the beach. Waves also altered solute pathways and shifted the solute discharge zone further seaward. Residence Time Maps (RTM) revealed that the wave-induced residence time of the inland-applied solutes was largest near the solute exit zone to the sea. Sensitivity analyses suggested that the change in the permeability in the beach altered solute transport properties in a nonlinear way. Due to the slow movement of solutes in the unsaturated zone, the mass of the solute in the unsaturated zone, which reached up to 10% of the total mass in some cases, constituted a continuous slow release of solutes to the saturated zone of the beach. This means of control was not addressed in prior studies.

  1. Solutions to bi-Maxwellian transport equations for SAR-arc conditions

    NASA Technical Reports Server (NTRS)

    Demars, H. G.; Schunk, R. W.

    1986-01-01

    The first subsonic solutions of the bi-Maxwellian-based 16-moment set of transport equations for stable auroral red (SAR) arc conditions are presented. These are compared with the solutions obtained from the Maxwellian-based 13-moment transport equations for the same boundary conditions. Close agreement between the 16-moment and 13-moment solutions was obtained for the drift velocity, total electron temperature, total proton heat flow, and total electron heat flow profiles. On the other hand, significant discrepancies were found. Thus, the 16-moment density profile falls off more rapidly with increasing altitude than that computed with the 13-moment equations; the total proton temperature is less in the 16-moment case than in the 13-moment case by several thousand degrees at most altitudes; and differences exist in the ratios of the proton and electron temperature anisotropies with the altitude. A simplified set of transport equations was obtained by dropping terms which remain relatively small at all altitudes.

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

    DOE PAGES

    Armstrong, Jerawan C.; Favorite, Jeffrey A.

    2016-01-14

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

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

    NASA Astrophysics Data System (ADS)

    Litvinenko, Yuri E.; Effenberger, Frederic

    2014-12-01

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

  4. The Vacuole System Is a Significant Intracellular Pathway for Longitudinal Solute Transport in Basidiomycete Fungi†

    PubMed Central

    Darrah, P. R.; Tlalka, M.; Ashford, A.; Watkinson, S. C.; Fricker, M. D.

    2006-01-01

    Mycelial fungi have a growth form which is unique among multicellular organisms. The data presented here suggest that they have developed a unique solution to internal solute translocation involving a complex, extended vacuole. In all filamentous fungi examined, this extended vacuole forms an interconnected network, dynamically linked by tubules, which has been hypothesized to act as an internal distribution system. We have tested this hypothesis directly by quantifying solute movement within the organelle by photobleaching a fluorescent vacuolar marker. Predictive simulation models were then used to determine the transport characteristics over extended length scales. This modeling showed that the vacuolar organelle forms a functionally important, bidirectional diffusive transport pathway over distances of millimeters to centimeters. Flux through the pathway is regulated by the dynamic tubular connections involving homotypic fusion and fission. There is also a strongly predicted interaction among vacuolar organization, predicted diffusion transport distances, and the architecture of the branching colony margin. PMID:16835455

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

    SciTech Connect

    Litvinenko, Yuri E.; Effenberger, Frederic

    2014-12-01

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

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

    SciTech Connect

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

    2006-06-01

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

  7. Oocyte aging-induced Neuronatin (NNAT) hypermethylation affects oocyte quality by impairing glucose transport in porcine

    PubMed Central

    Gao, Ying-Ying; Chen, Li; Wang, Tao; Nie, Zheng-Wen; Zhang, Xia; Miao, Yi-Liang

    2016-01-01

    DNA methylation plays important roles in regulating many physiological behaviors; however, few studies were focused on the changes of DNA methylation during oocyte aging. Early studies showed that some imprinted genes’ DNA methylation had been changed in aged mouse oocytes. In this study, we used porcine oocytes to test the hypothesis that oocyte aging would alter DNA methylation pattern of genes and disturb their expression in age oocytes, which affected the developmental potential of oocytes. We compared several different types of genes and found that the expression and DNA methylation of Neuronatin (NNAT) were disturbed in aged oocytes significantly. Additional experiments demonstrated that glucose transport was impaired in aged oocytes and injection of NNAT antibody into fresh oocytes led to the same effects on glucose transport. These results suggest that the expression of NNAT was declined by elevating DNA methylation, which affected oocyte quality by decreasing the ability of glucose transport in aged oocytes. PMID:27782163

  8. Analytical Solution for Multi-Species Contaminant Transport Subject to Sequential First-Order Decay Reactions in Finite Media

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Transport equations governing the movement of multiple solutes undergoing sequential first-order decay reactions have relevance in analyzing a variety of subsurface contaminant transport problems. In this study, a one-dimensional analytical solution for multi-species transport is obtained for finite...

  9. Parallelism to solute transport code MT3DMS and case study in TU. Freiberg

    NASA Astrophysics Data System (ADS)

    Abdelaziz, Ramadan; Leb, Hai Ha

    2014-05-01

    A parallel software for 3-D Multi-Species Transport Model MT3DMS was developed. Open Multiprocessing (OpenMP) was used for communication within the processors. MT3DMS emulated the solute transport by dividing the calculation into flow and transport steps. A new preconditioner, derived from Symmetric Successive Over Relaxation (SSOR), is added into the generalized conjugate gradient solver. A case study in the test field at TU Bergakademie Freiberg was used to produce the results and analyze the code performance. A demonstration test field indicated that the parallel mode for MT3DMS is accessible within a processor and problem size. A low timeframe occurs due to speedups for the field test of the solute transport model.

  10. Solute Transport in Eroded and Rehabilitated Prairie Landforms. 1. Nonreactive Solute

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Cultivated North American prairie landscapes are often affected by soil erosion. Soil-landscape rehabilitation, in which topsoil is moved from areas of net deposition (lower slope) to areas of net soil loss by erosion (upper slope), can increase uniformity in soil properties across the landform and ...

  11. Connexin-deficiency affects expression levels of glial glutamate transporters within the cerebrum.

    PubMed

    Unger, Tina; Bette, Stefanie; Zhang, Jiong; Theis, Martin; Engele, Jürgen

    2012-01-01

    The glial glutamate transporter subtypes, GLT-1/EAAT-2 and GLAST/EAAT-1 clear the bulk of extracellular glutamate and are severely dysregulated in various acute and chronic brain diseases. Despite the previous identification of several extracellular factors modulating glial glutamate transporter expression, our knowledge of the regulatory network controlling glial glutamate transport in health and disease still remains incomplete. In studies with cultured cortical astrocytes, we previously obtained evidence that glial glutamate transporter expression is also affected by gap junctions/connexins. To assess whether gap junctions would likewise control the in vivo expression of glial glutamate transporters, we have now assessed their expression levels in brains of conditional Cx43 knockout mice, total Cx30 knockouts, as well as Cx43/Cx30 double knockouts. We found that either knocking out Cx30, Cx43, or both increases GLT-1/EAAT-2 protein levels in the cerebral cortex to a similar extent. By contrast, GLAST/EAAT-1 protein levels maximally increased in cerebral cortices of Cx30/Cx43 double knockouts, implying that gap junctions differentially affect the expression of GLT-1/EAAT-2 and GLAST/EAAT-1. Quantitative PCR analysis further revealed that increases in glial glutamate transporter expression are brought about by transcriptional and translational/posttranslational processes. Moreover, GLT-1/EAAT-2- and GLAST/EAAT-1 protein levels remained unchanged in the hippocampi of Cx43/Cx30 double knockouts when compared to Cx43fl/fl controls, indicating brain region-specific effects of gap junctions on glial glutamate transport. Since astrocytic gap junction coupling is affected in various forms of brain injuries, our findings point to gap junctions/connexins as important regulators of glial glutamate turnover in the diseased cerebral cortex.

  12. Mechanisms affecting the transport and retention of bacteria, bacteriophage and microspheres in laboratory-scale saturated fractures

    NASA Astrophysics Data System (ADS)

    Seggewiss, G.; Dickson, S. E.

    2013-12-01

    Groundwater is becoming an increasingly important water source due to the ever-increasing demands from agricultural, residential and industrial consumers. In search of more secure sources, wells are routinely finished over large vertical depths in bedrock aquifers, creating new hydraulic pathways and thus increasing the risk of cross contamination. Moreover, hydraulic pathways are also being altered and created by increasing water withdrawal rates from these wells. Currently, it is not well understood how biological contaminants are transported through, and retained in, fractured media thereby making risk assessment and land use decisions difficult. Colloid transport within fractured rock is a complex process with several mechanisms affecting transport and retention, including: advection, hydrodynamic dispersion, diffusion, size exclusion, adsorption, and decay. Several researchers have investigated the transport of bacteria, bacteriophage, and microspheres (both carboxylated and plain) to evaluate the effects of surface properties and size on transport and retention. These studies have suggested that transport is highly dependent on the physico-chemical properties of the particle, the fracture, and the carrying fluid. However, these studies contain little detail regarding the specific mechanisms responsible for transport beyond speculating about their existence. Further, little work has been done to compare the transport of these particulate materials through the same fracture, allowing for direct observations based on particulate size and surface properties. This research examines the similarities and differences in transport and retention between four different particles through two different laboratory-scale, saturated fractures. This work is designed to explore the effects of particle size, surface properties, ionic strength of the carrying solution, and aperture field characteristics on transport and retention in single, saturated fractures. The particulates

  13. Curves to determine the relative importance of advection and dispersion for solute and vapor transport

    USGS Publications Warehouse

    Garges, J.A.; Baehr, A.L.

    1998-01-01

    The relative importance of advection and dispersion for both solute and vapor transport can be determined from type curves or concentration, flux, or cumulative flux. The dimensionless form of the type curves provides a means to directly evaluate the importance of mass transport by advection relative to that of mass transport by diffusion and dispersion. Type curves based on an analytical solution to the advection-dispersion equation are plotted in terms of dimensionless time and Peclet number. Flux and cumulative flux type curves provide additional rationale for transport regime determination in addition to the traditional concentration type curves. The extension of type curves to include vapor transport with phase partitioning in the unsaturated zone is a new development. Type curves for negative Peclet numbers also are presented. A negative Peclet number characterizes a problem in which one direction of flow is toward the contamination source, and thereby diffusion and advection can act in opposite directions. Examples are the diffusion of solutes away from the downgradient edge of a pump-and-treat capture zone, the upward diffusion of vapors through the unsaturated zone with recharge, and the diffusion of solutes through a low hydraulic conductivity cutoff wall with an inward advective gradient.

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

    SciTech Connect

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

    2009-03-15

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

  15. Solute transport via alternating-direction collocation using the modified method of characteristics

    NASA Astrophysics Data System (ADS)

    Allen, Myron B.; Khosravani, Azar

    We present a finite-element collocation method for modeling underground solute transport in two space dimensions when advection is dominant. The scheme uses a modified method of characteristics to approximate advective terms, thereby reducing the temporal truncation error and allowing accurate transport of solute by the velocity field. In conjunction with this approach, we employ an alternating-direction algorithm to yield a highly parallelizable algorithm for solving two-dimensional problems as sequences of simpler problems having one-dimensional matrix structure.

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

    USGS Publications Warehouse

    Nolan, Bernard T.; Bayless, E. Randall; Green, Christopher T.; Garg, Sheena; Voss, Frank D.; Lampe, David C.; Barbash, Jack E.; Capel, Paul D.; Bekins, Barbara A.

    2005-01-01

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

  17. Mutations in the white gene of Drosophila melanogaster affecting ABC transporters that determine eye colouration.

    PubMed

    Mackenzie, S M; Brooker, M R; Gill, T R; Cox, G B; Howells, A J; Ewart, G D

    1999-07-15

    The white, brown and scarlet genes of Drosophila melanogaster encode proteins which transport guanine or tryptophan (precursors of the red and brown eye colour pigments) and belong to the ABC transporter superfamily. Current models envisage that the white and brown gene products interact to form a guanine specific transporter, while white and scarlet gene products interact to form a tryptophan transporter. In this study, we report the nucleotide sequence of the coding regions of five white alleles isolated from flies with partially pigmented eyes. In all cases, single amino acid changes were identified, highlighting residues with roles in structure and/or function of the transporters. Mutations in w(cf) (G589E) and w(sat) (F590G) occur at the extracellular end of predicted transmembrane helix 5 and correlate with a major decrease in red pigments in the eyes, while brown pigments are near wild-type levels. Therefore, those residues have a more significant role in the guanine transporter than the tryptophan transporter. Mutations identified in w(crr) (H298N) and w(101) (G243S) affect amino acids which are highly conserved among the ABC transporter superfamily within the nucleotide binding domain. Both cause substantial and similar decreases of red and brown pigments indicating that both tryptophan and guanine transport are impaired. The mutation identified in w(Et87) alters an amino acid within an intracellular loop between transmembrane helices 2 and 3 of the predicted structure. Red and brown pigments are reduced to very low levels by this mutation indicating this loop region is important for the function of both guanine and tryptophan transporters. PMID:10407069

  18. Analytical solution describing pesticide volatilization from soil affected by a change in surface condition.

    PubMed

    Yates, S R

    2009-01-01

    An analytical solution describing the fate and transport of pesticides applied to soils has been developed. Two pesticide application methods can be simulated: point-source applications, such as idealized shank or a hot-gas injection method, and a more realistic shank-source application method that includes a vertical pesticide distribution in the soil domain due to a soil fracture caused by a shank. The solutions allow determination of the volatilization rate and other information that could be important for understanding fumigant movement and in the development of regulatory permitting conditions. The solutions can be used to characterize differences in emissions relative to changes in the soil degradation rate, surface barrier conditions, application depth, and soil packing. In some cases, simple algebraic expressions are provided that can be used to obtain the total emissions and total soil degradation. The solutions provide a consistent methodology for determining the total emissions and can be used with other information, such as field and laboratory experimental data, to support the development of fumigant regulations. The uses of the models are illustrated by several examples.

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

    NASA Astrophysics Data System (ADS)

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

    2011-10-01

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

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

    SciTech Connect

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

    2011-03-15

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

  1. Groundwater Flow and Solute Transport in a Tidally influenced gravel beach in Prince William Sound, Alaska

    NASA Astrophysics Data System (ADS)

    Bobo, A. M.; Boufadel, M. C.; Abdollahi Nasab, A.

    2009-12-01

    We investigated beach hydraulics in a gravel beach on Eleanor Island, Prince William Sound, Alaska that was previously polluted with the Exxon Valdez oil spill in 1989. The beach contains trace amounts of oil such that they don’t affect beach hydraulics. Measurements of water pressure and salinity were analyzed and simulated using the model SUTRA (Saturated-Unsaturated Groundwater Flow and Solute Transport). The results indicated that the beach consists of two layers with contrasting hydraulic properties: an upper layer with a hydraulic conductivity of 10-2 m/s, and a lower layer with a hydraulic conductivity of 10-5 m/s. The presence of the layer of low hydraulic conductivity constrained the fall of the water table resulting in a water table fluctuation that is almost independent of distance from the shoreline. This is unlike previous studies, which occurred in sandy beaches, and where the fluctuation decreased going landward. The water table remained above the layers’ interface, which suggests that the oil did not penetrate the lower layer. This could explain the presence of only tracer amount of oil in the beach. A sudden seaward increase of the slope of the two layers’ interface resulted in water leaving the lower layer near the mid-intertidal zone, and draining to the sea through the upper layer. This created the effect of a hydraulic rupture separating the hydraulics in the seaward portion of the beach from the rest of beach, especially at low tide.

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

    SciTech Connect

    Broadbridge, P.; Ivanova, N. M.

    2015-01-15

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

  3. Decreased vesicular monoamine transporter 2 (VMAT2) and dopamine transporter (DAT) function in knockout mice affects aging of dopaminergic systems

    PubMed Central

    Hall, F. S.; Itokawa, K.; Schmitt, A.; Moessner, R.; Sora, I.; Lesch, K. P.; Uhl, G. R.

    2013-01-01

    Dopamine (DA) is accumulated and compartmentalized by the dopamine transporter (DAT; SLC3A6) and the vesicular monoamine transporter 2 (VMAT2; SLC18A2). These transporters work at the plasma and vesicular membranes of dopaminergic neurons, respectively, and thus regulate levels of DA in neuronal compartments that include the extravesicular cytoplasmic compartment. DA in this compartment has been hypothesized to contribute to oxidative damage that can reduce the function of dopaminergic neurons in aging brains and may contribute to reductions in dopaminergic neurochemical markers, locomotor behavior and responses to dopaminergic drugs that are found in aged animals. The studies reported here examined aged mice with heterozygous deletions of VMAT2 or of DAT, which each reduce transporter expression to about 50% of levels found in wild-type (WT) mice. Aged mice displayed reduced locomotor responses under a variety of circumstances, including in response to locomotor stimulants, as well as changes in monoamine levels and metabolites in a regionally dependent manner. Several effects of aging were more pronounced in heterozygous VMAT2 knockout (KO) mice, including aging induced reductions in locomotion and reduced locomotor responses to cocaine. By contrast, some effects of aging were reduced or not observed in heterozygous DAT KO mice. These findings support the idea that altered DAT and VMAT2 expression affect age-related changes in dopaminergic function. These effects are most likely mediated by alterations in DA compartmentalization, and might be hypothesized to be more exacerbated by other factors that affect the metabolism of cytosolic DA. PMID:23978383

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

    PubMed

    Roberts, E

    1993-08-15

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

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

    PubMed

    Hammel, H T; Schlegel, Whitney M

    2005-01-01

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

  6. 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.

  7. Influence of karst evolution on solute transport evaluated by process-based numerical modelling

    NASA Astrophysics Data System (ADS)

    Hubinger, Bernhard; Birk, Steffen

    2010-05-01

    Karst waters are of major interest in water resources management. Because of their inherent properties karst systems show great vulnerability with regard to contaminants. Karst systems include highly permeable solution conduit networks formed by chemical aggressive water embedded in a fissured matrix. Small initial voids are widened and thus act as preferential passages, where flow is rapid and often turbulent. Water discharging at karst spring originates from different pathways with different residence times. Contaminant transport through conduit pathways is very rapid, whereas flow through the fissured porous matrix is much slower. Thus, on the one hand, pollutants may be rapidly transported and reach high concentrations at the karst spring shortly after their release; on the other hand, the existence of slow flow components may cause the pollution to last for long times. In this work, solute transport properties of karst aquifers are investigated using generic conduit networks of hydraulically connected proto-conduits with initially log-normally distributed apertures in the millimetre range and below. Conduit evolution is modelled by coupling flow, transport, and dissolution processes, whereby single conduits are widened up to the metre range. Thus, different stages of karst evolution can be distinguished. The resulting flow systems provide the basis for modelling advective-dispersive transport of non-reactive solutes through the network of more or less widened (proto-)conduits. The general transport characteristics in karst systems as well as the influence of heterogeneities and structures on solute transport are illustrated for cases of direct injection into the conduit systems at different evolutionary stages. The resulting breakthrough curves typically show several distinct, chronologically shifted peaks with long tailings, which appears to be similar to data from field tracer experiments.

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

    PubMed

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

    2016-09-01

    Solute transport through the soil matrix is non-uniform and greatly affected by soil texture, soil structure, and macropore networks. Attempts have been made in previous studies to use infiltration experiments to identify the degree of preferential flow, but these attempts have often been based on small datasets or data collected from literature with differing initial and boundary conditions. This study examined the relationship between tracer breakthrough characteristics, soil hydraulic properties, and basic soil properties. From six agricultural fields in Denmark, 193 intact surface soil columns 20cm in height and 20cm in diameter were collected. The soils exhibited a wide range in texture, with clay and organic carbon (OC) contents ranging from 0.03 to 0.41 and 0.01 to 0.08kgkg(-1), respectively. All experiments were carried out under the same initial and boundary conditions using tritium as a conservative tracer. The breakthrough characteristics ranged from being near normally distributed to gradually skewed to the right along with an increase in the content of the mineral fines (particles ≤50μm). The results showed that the mineral fines content was strongly correlated to functional soil structure and the derived tracer breakthrough curves (BTCs), whereas the OC content appeared less important for the shape of the BTC. Organic carbon was believed to support the stability of the soil structure rather than the actual formation of macropores causing preferential flow. The arrival times of 5% and up to 50% of the tracer mass were found to be strongly correlated with volumetric fines content. Predicted tracer concentration breakthrough points as a function of time up to 50% of applied tracer mass could be well fitted to an analytical solution to the classical advection-dispersion equation. Both cumulative tracer mass and concentration as a function of time were well predicted from the simple inputs of bulk density, clay and silt contents, and applied tracer mass

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

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

    Solute transport through the soil matrix is non-uniform and greatly affected by soil texture, soil structure, and macropore networks. Attempts have been made in previous studies to use infiltration experiments to identify the degree of preferential flow, but these attempts have often been based on small datasets or data collected from literature with differing initial and boundary conditions. This study examined the relationship between tracer breakthrough characteristics, soil hydraulic properties, and basic soil properties. From six agricultural fields in Denmark, 193 intact surface soil columns 20 cm in height and 20 cm in diameter were collected. The soils exhibited a wide range in texture, with clay and organic carbon (OC) contents ranging from 0.03 to 0.41 and 0.01 to 0.08 kg kg- 1, respectively. All experiments were carried out under the same initial and boundary conditions using tritium as a conservative tracer. The breakthrough characteristics ranged from being near normally distributed to gradually skewed to the right along with an increase in the content of the mineral fines (particles ≤ 50 μm). The results showed that the mineral fines content was strongly correlated to functional soil structure and the derived tracer breakthrough curves (BTCs), whereas the OC content appeared less important for the shape of the BTC. Organic carbon was believed to support the stability of the soil structure rather than the actual formation of macropores causing preferential flow. The arrival times of 5% and up to 50% of the tracer mass were found to be strongly correlated with volumetric fines content. Predicted tracer concentration breakthrough points as a function of time up to 50% of applied tracer mass could be well fitted to an analytical solution to the classical advection-dispersion equation. Both cumulative tracer mass and concentration as a function of time were well predicted from the simple inputs of bulk density, clay and silt contents, and applied tracer

  10. Transient Modeling of Reactive Solute Transport in a Submarine Groundwater Discharge Zone

    NASA Astrophysics Data System (ADS)

    Colman, J. A.; Bratton, J. F.; Crusius, J.; Kroeger, K. D.; Baldwin, S.; Lee, K.

    2009-12-01

    Submarine groundwater discharge (SGD) is the dominant means of freshwater delivery to many coastal embayments on the glaciated coast of Cape Cod (Mass.). This discharge is the focus of considerable research, in part because the common disposal of sewage via septic systems has led to elevated concentrations of nutrients in groundwater. Subsurface mixing and chemical reactivity prior to discharge can affect the amounts of nutrients entering the embayments. Water-quality problems including eutrophication and harmful algal blooms appear to be controlled by the timing and intensity of SGD at our field site, Salt Pond, a weakly stratified estuary 8.2 ha in area with a maximum depth of 9 m and tidal amplitude of 2 m. The site is located at the northern (inland) end of Nauset Marsh on outer Cape Cod. We estimated mixing and reaction rates in the discharge area by fitting a 2-D reactive-solute-transport model (PHAST) to chemical observations in the intertidal subsurface using hydrologic forcing from aquifer recharge and tides. Chemical measurements in the subsurface, taken at 5 intervals spanning the seasons from a multilevel-sampler (MLS) array, 20 m long by 6 m deep, indicate a change in the position of the groundwater salt front on both tidal and seasonal time scales, with a maximum horizontal movement of approximately 4 m. Observed movement of the salt front corresponded with simulated movement modeled by changing seasonal recharge to the aquifer. Kinetics of oxygen consumption in the subsurface were modeled using end-member concentrations of oxygen in upgradient fresh groundwater and in water-column saltwater, assumed biological oxygen demand in saltwater, and model-determined residence time in the subsurface. High measured concentrations of nitrate (up to 7 mg/L as N) in intertidal groundwater were unaffected by denitrification prior to discharge based on both chemical analysis of denitrification indicators in MLS samples, and model results. This work demonstrates

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

    PubMed

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

    2016-09-01

    Solute transport through the soil matrix is non-uniform and greatly affected by soil texture, soil structure, and macropore networks. Attempts have been made in previous studies to use infiltration experiments to identify the degree of preferential flow, but these attempts have often been based on small datasets or data collected from literature with differing initial and boundary conditions. This study examined the relationship between tracer breakthrough characteristics, soil hydraulic properties, and basic soil properties. From six agricultural fields in Denmark, 193 intact surface soil columns 20cm in height and 20cm in diameter were collected. The soils exhibited a wide range in texture, with clay and organic carbon (OC) contents ranging from 0.03 to 0.41 and 0.01 to 0.08kgkg(-1), respectively. All experiments were carried out under the same initial and boundary conditions using tritium as a conservative tracer. The breakthrough characteristics ranged from being near normally distributed to gradually skewed to the right along with an increase in the content of the mineral fines (particles ≤50μm). The results showed that the mineral fines content was strongly correlated to functional soil structure and the derived tracer breakthrough curves (BTCs), whereas the OC content appeared less important for the shape of the BTC. Organic carbon was believed to support the stability of the soil structure rather than the actual formation of macropores causing preferential flow. The arrival times of 5% and up to 50% of the tracer mass were found to be strongly correlated with volumetric fines content. Predicted tracer concentration breakthrough points as a function of time up to 50% of applied tracer mass could be well fitted to an analytical solution to the classical advection-dispersion equation. Both cumulative tracer mass and concentration as a function of time were well predicted from the simple inputs of bulk density, clay and silt contents, and applied tracer mass

  12. Soil structure, colloids, and chemical transport as affected by short-term reducing conditions: a laboratory study

    NASA Astrophysics Data System (ADS)

    de-Campos, A. B.; Mamedov, A. I.; Huang, C.; Wagner, L. E.

    2008-12-01

    Upland soils in the Midwestern US often undergo reducing conditions when soils are temporally flooded during the spring and remain water saturated for days or weeks. Short-term reducing conditions change the chemistry of the soil and may affect soil structure and solution chemical transport. The effects of short-term reducing conditions on chemical and physical properties of the soils, colloids, and associated chemical/nutrients transport are still not well understood and was the objective of our study. A biogeochemical reactor was built to achieve reducing conditions. Three cultivated and three uncultivated soils with different organic carbon contents were incubated in the reactor for 1 hour and 3 days under anaerobic conditions. Effects of the redox state on soil structure (pore size distribution) and drainable porosity, colloids mobility, and chemical transport were determined using high energy moisture characteristic and analytical methods. After each treatment, the soil solution was collected for redox potential (Eh), pH, and electrical conductivity (EC) measurements, and chemical analysis of metals (Ca, Mg, K), nutrients (N, P), and dissolved organic carbon. Strongly reducing conditions were achieved after 3 days of incubation and were followed by a decrease in soil porosity and an increase in pH, EC, clay dispersion, swelling, colloids mobility, and associated chemical transport. The trend for each soil depended on their initial structural stability and chemical properties. The structure of cultivated soils and the leaching of nutrients and carbon from uncultivated soils were more sensitive to the redox state. A strong correlation was found between changes in Eh and drainable porosity. The role of short-term reducing conditions on changes in redox sensitive elements, organic matter decomposition, pH, and EC and their influence on soil structure and soil particles or colloids/chemical transport for both soil groups are discussed in the paper. This study

  13. Solutions to bi-Maxwellian transport equations for the polar wind

    NASA Technical Reports Server (NTRS)

    Demars, H. G.; Schunk, R. W.

    1989-01-01

    In this study, polar wind solutions are obtained for a broad range of O(+) density, H(+) drift velocity, electron temperature and H(+) temperature boundary conditions. The bi-Maxwellian-based 16-moment set of transport equations is used, since this set is expected to be superior to Maxwellian-based equations in describing large temperature anisotropies and heat flows. The present solutions corroborate earlier results when similar boundary conditions are used. Also, for previously unexplored combinations of boundary conditions, the present solutions are often qualitatively different from any obtained before.

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

    SciTech Connect

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

    1988-12-31

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

  15. Solute transport and composition profile during direct metal deposition with coaxial powder injection

    NASA Astrophysics Data System (ADS)

    He, Xiuli; Song, Lijun; Yu, Gang; Mazumder, Jyoti

    2011-11-01

    Direct metal deposition (DMD) with coaxial powder injection allows fabrication of three-dimensional geometry with rapidly solidified microstructure. During DMD, addition of powder leads to the interaction between laser and powder, and also the redistribution of solute. The concentration distribution of the alloying element is very important for mechanical properties of the deposited clad material. The evolution of concentration distribution of carbon and chromium in the molten pool is simulated using a self-consistent three-dimensional model, based on the solution of the equations of mass, momentum, energy conservation and solute transport in the molten pool. The experimental and calculated molten pool geometry is compared for model validation purposes.

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

    PubMed

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

    2014-12-01

    The members of the solute carrier 45 (SLC45) family have been implicated in the regulation of glucose homoeostasis in the brain (SLC45A1), with skin and hair pigmentation (SLC45A2), and with prostate cancer and myelination (SLC45A3). However, apart from SLC45A1, a proton-associated glucose transporter, the function of these proteins is still largely unknown, although sequence similarities to plant sucrose transporters mark them as a putative sucrose transporter family. Heterologous expression of the three members SLC45A2, SLC45A3 and SLC45A4 in Saccharomyces cerevisiae confirmed that they are indeed sucrose transporters. [(14)C]Sucrose-uptake measurements revealed intermediate transport affinities with Km values of approximately 5 mM. Transport activities were best under slightly acidic conditions and were inhibited by the protonophore carbonyl cyanide m-chlorophenylhydrazone, demonstrating an H(+)-coupled transport mechanism. Na(+), on the other hand, had no effect on sucrose transport. Competitive inhibition assays indicated a possible transport also of glucose and fructose. Real-time PCR of mouse tissues confirmed mRNA expression of SLC45A2 in eyes and skin and of SLC45A3 primarily in the prostate, but also in other tissues, whereas SLC45A4 showed a predominantly ubiquitous expression. Altogether the results provide new insights into the physiological significance of SLC45 family members and challenge existing concepts of mammalian sugar transport, as they (i) transport a disaccharide, and (ii) perform secondary active transport in a proton-dependent manner. PMID:25164149

  17. 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...

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

    SciTech Connect

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

    1998-07-01

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

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

    EPA Science Inventory

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

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

    In-stream fate and transport of solutes and microorganisms need to be understood to evaluate suitability of waters for agricultural, recreational, and household uses and eventually minimize surface water contamination. Concerns over safety of this water resulted in development of predictive models f...

  1. Psychostimulants affect dopamine transmission through both dopamine transporter-dependent and independent mechanisms

    PubMed Central

    dela Peña, Ike; Gevorkiana, Ruzanna; Shi, Wei-Xing

    2015-01-01

    The precise mechanisms by which cocaine and amphetamine-like psychostimulants exert their reinforcing effects are not yet fully defined. It is widely believed, however, that these drugs produce their effects by enhancing dopamine neurotransmission in the brain, especially in limbic areas such as the nucleus accumbens, by inducing dopamine transporter-mediated reverse transport and/or blocking dopamine reuptake though the dopamine transporter. Here, we present the evidence that aside from dopamine transporter, non-dopamine transporter-mediated mechanisms also participate in psychostimulant-induced dopamine release and contribute to the behavioral effects of these drugs, such as locomotor activation and reward. Accordingly, psychostimulants could increase norepinephrine release in the prefrontal cortex, the latter then alters the firing pattern of dopamine neurons resulting in changes in action potential-dependent dopamine release. These alterations would further affect the temporal pattern of dopamine release in the nucleus accumbens, thereby modifying information processing in that area. Hence, a synaptic input to a nucleus accumbens neuron may be enhanced or inhibited by dopamine depending on its temporal relationship to dopamine release. Specific temporal patterns of dopamine release may also be required for certain forms of synaptic plasticity in the nucleus accumbens. Together, these effects induced by psychostimulants, mediated through a non-dopamine transporter-mediated mechanism involving norepinephrine and the prefrontal cortex, may also contribute importantly to the reinforcing properties of these drugs. PMID:26209364

  2. Psychostimulants affect dopamine transmission through both dopamine transporter-dependent and independent mechanisms.

    PubMed

    dela Peña, Ike; Gevorkiana, Ruzanna; Shi, Wei-Xing

    2015-10-01

    The precise mechanisms by which cocaine and amphetamine-like psychostimulants exert their reinforcing effects are not yet fully defined. It is widely believed, however, that these drugs produce their effects by enhancing dopamine neurotransmission in the brain, especially in limbic areas such as the nucleus accumbens, by inducing dopamine transporter-mediated reverse transport and/or blocking dopamine reuptake though the dopamine transporter. Here, we present the evidence that aside from dopamine transporter, non-dopamine transporter-mediated mechanisms also participate in psychostimulant-induced dopamine release and contribute to the behavioral effects of these drugs, such as locomotor activation and reward. Accordingly, psychostimulants could increase norepinephrine release in the prefrontal cortex, the latter then alters the firing pattern of dopamine neurons resulting in changes in action potential-dependent dopamine release. These alterations would further affect the temporal pattern of dopamine release in the nucleus accumbens, thereby modifying information processing in that area. Hence, a synaptic input to a nucleus accumbens neuron may be enhanced or inhibited by dopamine depending on its temporal relationship to dopamine release. Specific temporal patterns of dopamine release may also be required for certain forms of synaptic plasticity in the nucleus accumbens. Together, these effects induced by psychostimulants, mediated through a non-dopamine transporter-mediated mechanism involving norepinephrine and the prefrontal cortex, may also contribute importantly to the reinforcing properties of these drugs. PMID:26209364

  3. Solute transport in eroded and rehabilitated prairie landforms. 2. Reactive solute.

    PubMed

    Papiernik, Sharon K; Koskinen, William C; Yates, Scott R

    2009-08-26

    The impact of varying soil, landscape, and climate conditions on the off-site transport of pesticides must be determined to develop improved pesticide management practices. This study quantified the rate of S-metolachlor dissipation after fall and spring application in eroded and rehabilitated landforms in which topsoil was moved from the lower slope to the upper slope. Fall-applied metolachlor provided no control of annual grasses because approximately 80% was removed from the root zone during the winter and early spring, presumably by leaching and runoff. S-Metolachlor dissipated in the spring with a DT(50) of 24-29 days. These results suggest that fall-applied metolachlor may not provide economic weed control and presents an increased risk of water contamination. Although landscape position and bulk soil movement within the landform had a large impact on soil properties, no significant differences in metolachlor dissipation between different landscape positions and between eroded and rehabilitated landforms were observed. PMID:19653695

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

    PubMed

    Hu, Bill X; Meerschaert, Mark M; Barrash, Warren; Hyndman, David W; He, Changming; Li, Xinya; Guo, Luanjing

    2009-09-01

    It is widely recognized that groundwater flow and solute transport in natural media are largely controlled by heterogeneities. In the last three decades, many studies have examined the effects of heterogeneous hydraulic conductivity fields on flow and transport processes, but there has been much less attention to the influence of heterogeneous porosity fields. In this study, we use porosity and particle size measurements from boreholes at the Boise Hydrogeophysical Research Site (BHRS) to evaluate the importance of characterizing the spatial structure of porosity and grain size data for solute transport modeling. Then we develop synthetic hydraulic conductivity fields based on relatively simple measurements of porosity from borehole logs and grain size distributions from core samples to examine and compare the characteristics of tracer transport through these fields with and without inclusion of porosity heterogeneity. In particular, we develop horizontal 2D realizations based on data from one of the less heterogeneous units at the BHRS to examine effects where spatial variations in hydraulic parameters are not large. The results indicate that the distributions of porosity and the derived hydraulic conductivity in the study unit resemble fractal normal and lognormal fields respectively. We numerically simulate solute transport in stochastic fields and find that spatial variations in porosity have significant effects on the spread of an injected tracer plume including a significant delay in simulated tracer concentration histories. PMID:19683833

  5. Analytical solutions for reactive transport of N-member radionuclide chains in a single fracture.

    PubMed

    Sun, Yunwei; Buscheck, Thomas A

    2003-01-01

    Several numerical codes have been used to simulate radionuclide transport in fractured rock systems. The validation of such numerical codes can be accomplished by comparison of numerical simulations against appropriate analytical solutions. In this paper, we present analytical solutions for the reactive transport of N-member radionuclide chains (i.e., multiple species of radionuclides and their daughter species) through a discrete fracture in a porous rock matrix applying a system decomposition approach. We consider the transport of N-member radionuclide chains in a single-fracture-matrix system as a starting point to simulate more realistic and complex systems. The processes considered are advection along the fracture, lateral diffusion in the matrix, radioactive decay of multiple radionuclides, and adsorption in both the fracture and matrix. Different retardation factors can be specified for the fracture and matrix. However, all species are assumed to share the same retardation factors for the fracture and matrix, respectively. Although a daughter species may penetrate farther along the fracture than its parent species when a constant-concentration boundary condition is applied, our results indicate that all species retain the same transport speed in the fracture if a pulse of the first species is released into the fracture. This solution scheme provides a way to validate numerical computer codes of radionuclide transport in fractured rock, such as those being used to assess the performance of a potential nuclear-waste repository at Yucca Mountain.

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

    USGS Publications Warehouse

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

    2009-01-01

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

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

    USGS Publications Warehouse

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

    1984-01-01

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

  8. A Novel Di-Leucine Motif at the N-Terminus of Human Organic Solute Transporter Beta Is Essential for Protein Association and Membrane Localization

    PubMed Central

    Xu, Shuhua; Soroka, Carol J.; Sun, An-Qiang; Backos, Donald S.; Mennone, Albert; Suchy, Frederick J.; Boyer, James L.

    2016-01-01

    The heteromeric membrane protein Organic Solute Transporter alpha/beta is the major bile acid efflux transporter in the intestine. Physical association of its alpha and beta subunits is essential for their polarized basolateral membrane localization and function in the transport of bile acids and other organic solutes. We identified a highly conserved acidic dileucine motif (-EL20L21EE) at the extracellular amino-tail of organic solute transporter beta from multiple species. To characterize the role of this protein interacting domain in the association of the human beta and alpha subunits and in membrane localization of the transporter, Leu20 and Leu21 on the amino-tail of human organic solute transporter beta were replaced with alanines by site-directed mutagenesis. Co-immunoprecipitation study in HEK293 cells demonstrated that substitution of the leucine residues with alanines prevented the interaction of the human beta mutant with the alpha subunit. Membrane biotinylation demonstrated that the LL/AA mutant eliminated membrane expression of both subunits. Computational-based modelling of human organic solute transporter beta suggested that the LL/AA mutation substantially alters both the structure and lipophilicity of the surface, thereby not only affecting the interaction with the alpha subunit but also possibly impacting the capacity of the beta subunit to traffick through the cell and interact with the membrane. In summary, our findings indicate that the dileucine motif in the extracellular N-terminal region of human organic solute transporter beta subunit plays a critical role in the association with the alpha subunit and in its polarized plasma membrane localization. PMID:27351185

  9. Probabilities of adverse weather affecting transport in Europe: climatology and scenarios up to the 2050s

    NASA Astrophysics Data System (ADS)

    Vajda, A.; Tuomenvirta, H.; Jokinen, P.; Luomaranta, A.; Makkonen, L.; Tikanmäki, M.; Groenemeijer, P.; Saarikivi, P.; Michaelides, S.; Papadakis, M.; Tymvios, F.; Athanasatos, S.

    2012-04-01

    This paper provides the first comprehensive climatology of the adverse and extreme weather events affecting the European transport system by estimating the frequency (or probability) of phenomena for the present climate (1971-2000) and an overview of the projected changes in some of these extremes in the future climate until the 2050s. The research was carried out within the framework of the EWENT Project that addresses the European Union (EU) policies and strategies related to climate change, with a particular focus on extreme weather impacts on the EU transportation system. This project is funded by the Seventh Framework Programme (Transports, call ID FPT7-TPT-2008-RTD-1). The analyzed phenomena are wind, snow, blizzards, heavy precipitation, cold spells and heat waves. In addition, reduced visibility conditions determined by fog and dust events, small-scale phenomena affecting the transport system, such as thunderstorms, lightning, large hail and tornadoes and events damaging infrastructure of the transport system, have been considered. Frequency and probability analysis of past and present ex¬tremes were performed using observational and atmospheric reanalysis data. Future changes in the probability of severe events were assessed based on six regional climate model simulations produced in the FP6 ENSEMBLES project (http://www.ensembles-eu.org/). To facilitate the assessment of impacts and consequences of extreme phenomena on a continental level, the WP2 Deliverable introduces a regionalization of the European extreme phenomena, defining the climate zones with similarities in extreme phenomena. The projected changes as well as large natural variability in weather extremes on the transportation network will have impacts of both signs. The decline of extreme cold and snowfall over most of the continent implies a positive impact on road, rail, inland water and air transportation, e.g., by reducing snow removal. However, even with a general decreasing trend in

  10. New Travelling Wave Solutions of Burgers Equation with Finite Transport Memory

    NASA Astrophysics Data System (ADS)

    Sakthivel, Rathinasamy; Chun, Changbum; Lee, Jonu

    2010-09-01

    The nonlinear evolution equations with finite memory have a wide range of applications in science and engineering. The Burgers equation with finite memory transport (time-delayed) describes convection-diffusion processes. In this paper, we establish the new solitary wave solutions for the time-delayed Burgers equation. The extended tanh method and the exp-function method have been employed to reveal these new solutions. Further, we have calculated the numerical solutions of the time-delayed Burgers equation with initial conditions by using the homotopy perturbation method (HPM). Our results show that the extended tanh and exp-function methods are very effective in finding exact solutions of the considered problem and HPM is very powerful in finding numerical solutions with good accuracy for nonlinear partial differential equations without any need of transformation or perturbation

  11. High-resolution lab experiment on solute transport through vadose zone into groundwater

    NASA Astrophysics Data System (ADS)

    Heberle, Steffen; Buchner, Jens; Roth, Kurt

    2010-05-01

    Transport of solutes through natural and artificial porous media plays an important role in contaminant hydrology and addresses challenging issues of complex systems. Translucent porous media in Hele-Shaw cells allow determination of water saturation and concentration distributions by absorption of light. In this study, the transport of conservative solutes through a quasi two-dimensonal porous medium is investigated with spectroscopic light transmission. Images of the Hele-Shaw cell are taken at different wavelengths to obtain simultaneous distributions of water saturation and concentration of an injected dye tracer at high temporal and spatial resolutions. We observe the transport of initially narrow pulses under saturated and unsaturated conditions with constant vertical flux. Additionally we examine the transition of such pulses from the unsaturated zone through the capillary fringe into the saturated zone.

  12. Analytical solution of equations describing slow axonal transport based on the stop-and-go hypothesis

    NASA Astrophysics Data System (ADS)

    Kuznetsov, Andrey

    2011-06-01

    This paper presents an analytical solution for slow axonal transport in an axon. The governing equations for slow axonal transport are based on the stop-and-go hypothesis which assumes that organelles alternate between short periods of rapid movement on microtubules (MTs), short on-track pauses, and prolonged off-track pauses, when they temporarily disengage from MTs. The model includes six kinetic states for organelles: two for off-track organelles (anterograde and retrograde), two for running organelles, and two for pausing organelles. An analytical solution is obtained for a steady-state situation. To obtain the analytical solution, the governing equations are uncoupled by using a perturbation method. The solution is validated by comparing it with a high-accuracy numerical solution. Results are presented for neurofilaments (NFs), which are characterized by small diffusivity, and for tubulin oligomers, which are characterized by large diffusivity. The difference in transport modes between these two types of organelles in a short axon is discussed. A comparison between zero-order and first-order approximations makes it possible to obtain a physical insight into the effects of organelle reversals (when organelles change the type of a molecular motor they are attached to, an anterograde versus retrograde motor).

  13. Investigation of cross-linking characteristics of novel hole-transporting materials for solution-processed phosphorescent OLEDs

    NASA Astrophysics Data System (ADS)

    Lee, Jaemin; Ameen, Shahid; Lee, Changjin

    2016-04-01

    After the success of commercialization of the vacuum-evaporated organic light-emitting diodes (OLEDs), solutionprocessing or printing of OLEDs are currently attracting much research interests. However, contrary to various kinds of readily available vacuum-evaporable OLED materials, the solution-processable OLED materials are still relatively rare. Hole-transporting layer (HTL) materials for solution-processed OLEDs are especially limited, because they need additional characteristics such as cross-linking to realize multilayer structures in solution-processed OLEDs, as well as their own electrically hole-transporting characteristics. The presence of such cross-linking characteristics of solutionprocessable HTL materials therefore makes them more challenging in the development stage, and also makes them essence of solution-processable OLED materials. In this work, the structure-property relationships of thermally crosslinkable HTL materials were systematically investigated by changing styrene-based cross-linking functionalities and modifying the carbazole-based hole-transporting core structures. The temperature dependency of the cross-linking characteristics of the HTL materials was systematically investigated by the UV-vis. absorption spectroscopy. The new HTL materials were also applied to green phosphorescent OLEDs, and their device characteristics were also investigated based on the chemical structures of the HTL materials. The device configuration was [ITO / PEDOT:PSS / HTL / EML / ETL / CsF / Al]. We found out that the chemical structures of the cross-linking functionalities greatly affect not only the cross-linking characteristics of the resultant HTL materials, but also the resultant OLED device characteristics. The increase of the maximum luminance and efficiency of OLEDs was evident as the cross-linking temperature decreases from higher than 200°C to at around 150°C.

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

    NASA Astrophysics Data System (ADS)

    Larsbo, Mats; Koestel, John

    2014-05-01

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

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

    PubMed

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

    2007-01-01

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

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

    PubMed

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

    2011-05-01

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

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

    NASA Astrophysics Data System (ADS)

    Steenhuis, Tammo; Kung, K.-J. Sam; Jaynes, Dan; Helling, Charles S.; Gish, Tim; Kladivko, Eileen

    2016-04-01

    Darcy's Law that was derived originally empirically 160 years ago, has been used successfully in calculating the (Darcy) flux in porous media throughout the world. However, field and laboratory experiments have demonstrated that the Darcy flux employed in the convective disperse equation could only successfully predict solute transport under two conditions: (1) uniformly or densely packed porous media; and (2) field soils under relatively dry condition. Employing the Darcy flux for solute transport in porous media with preferential flow pathways was problematic. In this paper we examine the theoretical background behind these field and laboratory observations and then provide an alternative to predict solute movement. By examining the characteristics of the momentum conservation principles on which Darcy's law is based, we show under what conditions Darcy flux can predict solute transport in porous media of various complexity. We find that, based on several case studies with capillary pores, Darcy's Law inherently merges momentum and in that way erases information on pore-scale velocities. For that reason the Darcy flux cannot predict flow in media with preferential flow conduits where individual pore velocities are essential in predicting the shape of the breakthrough curve and especially "the early arrival" of solutes. To overcome the limitations of the assumption in Darcy's law, we use Jury's conceptualization and employ the measured chemical breakthrough curve as input to characterize the impact of individual preferential flow pathways on chemical transport. Specifically, we discuss how best to take advantage of Jury's conceptualization to extract the pore-scale flow velocity to accurately predict chemical transport through soils with preferential flow pathways.

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

    SciTech Connect

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

    2015-09-28

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

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

    DOE PAGES

    Mehmani, Yashar; Schoenherr, Martin; Pasquali, Andrea; Perkins, William A.; Kim, Kyungjoo; Perego, Mauro; Parks, Michael L.; Balhoff, Matthew T.; Richmond, Marshall C.; Geier, Martin; et al

    2015-09-28

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

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

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

    NASA Astrophysics Data System (ADS)

    Mathieu-Balster, I.; Sicard, J.

    1999-09-01

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

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

    NASA Astrophysics Data System (ADS)

    Griffiths, Ian; Shipley, Rebecca

    2012-02-01

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

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

    USGS Publications Warehouse

    Jobson, Harvey E.

    1980-01-01

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

  4. 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.

  5. Soil water repellency affects production and transport of CO2 and CH4 in soil

    NASA Astrophysics Data System (ADS)

    Urbanek, Emilia; Qassem, Khalid

    2016-04-01

    Soil moisture is known to be vital in controlling both the production and transport of C gases in soil. Water availability regulates the decomposition rates of soil organic matter by the microorganisms, while the proportion of water/air filled pores controls the transport of gases within the soil and at the soil-atmosphere interface. Many experimental studies and process models looking at soil C gas fluxes assume that soil water is uniformly distributed and soil is easily wettable. Most soils, however, exhibit some degree of soil water repellency (i.e. hydrophobicity) and do not wet spontaneously when dry or moderately moist. They have restricted infiltration and conductivity of water, which also results in extremely heterogeneous soil water distribution. This is a world-wide occurring phenomenon which is particularly common under permanent vegetation e.g. forest, grass and shrub vegetation. This study investigates the effect of soil water repellency on microbial respiration, CO2 transport within the soil and C gas fluxes between the soil and the atmosphere. The results from the field monitoring and laboratory experiments show that soil water repellency results in non-uniform water distribution in the soil which affects the CO2 and CH4 gas fluxes. The main conclusion from the study is that water repellency not only affects the water relations in the soil, but has also a great impact on greenhouse gas production and transport and therefore should be included as an important parameter during the sites monitoring and modelling of gas fluxes.

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

    SciTech Connect

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

    2012-07-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2013-03-01

    Predicting the distribution of solutes or particles in flows within porous-walled tubes is essential to inform the design of devices that rely on cross-flow filtration, such as those used in water purification, irrigation devices, field-flow fractionation, and hollow-fibre bioreactors for tissue-engineering applications. Motivated by these applications, a radially averaged model for fluid and solute transport in a tube with thin porous walls is derived by developing the classical ideas of Taylor dispersion. The model includes solute diffusion and advection via both radial and axial flow components, and the advection, diffusion, and uptake coefficients in the averaged equation are explicitly derived. The effect of wall permeability, slip, and pressure differentials upon the dispersive solute behaviour are investigated. The model is used to explore the control of solute transport across the membrane walls via the membrane permeability, and a parametric expression for the permeability required to generate a given solute distribution is derived. The theory is applied to the specific example of a hollow-fibre membrane bioreactor, where a uniform delivery of nutrient across the membrane walls to the extra-capillary space is required to promote spatially uniform cell growth.

  8. A study of the physical-chemical mechanisms and variables which affect the transport of inorganic and organic heterogeneous systems

    SciTech Connect

    Anderson, M.A.; Zeltner, W.A.

    1990-07-01

    In order to model transport of dissolved ions in subsurface environments, one should understand how these ions interact with solid phase adsorbents. Our primary goal has been investigating the reaction mechanisms which affect microcontaminant partitioning between aqueous solutions and solid phase adsorbents, using goethite ({alpha}-FeOOH) as a model adsorbent. Cylindrical internal reflection -- Fourier transform infrared (CIR-FTIR) spectroscopy has been developed as the primary technique for this study. Wet chemical adsorption studies, acoustophoresis and electrophoretic mobility have been used to obtain supporting information as needed. Phenol and o-nitrophenol did not adsorb to goethite. Benzoate, phthalate and p-hydroxybenzoate all adsorbed via a bidentate mechanism to two adjacent iron atoms, while salicylate and 2,4-dihydroxybenzoate formed a chelate complex to single iron atoms. Phosphate adsorption was predominately bidentate.

  9. Transport of water from concentrated to dilute solutions in cells of Nitella.

    PubMed

    OSTERHOUT, W J V

    1949-03-20

    The transport of water from concentrated to dilute solutions which occurs in the kidney and in a variety of living cells presents a problem of fundamental importance. If the cell acts as an osmometer we may expect to bring about such transport by creating an inwardly directed osmotic drive which is higher in one part of the cell than in other regions of the same cell. The osmotic drive is defined as the difference between internal and external osmotic pressure. Experiments with Nitella show that this expectation is justified. If water is placed at one end of the cell (A) and 0.4 M sucrose with an osmotic pressure of 11.2 atmospheres at the other end (B) water enters at A, passes along inside the cell, and escapes at B leaving behind at B the solutes which cannot pass out through the protoplasm. Hence the internal osmotic pressure becomes much higher at B than at A. When 0.4 M sucrose at B is replaced by 0.3 M sucrose with an osmotic pressure of 8.1 atmospheres we find that water enters at B, passes along inside the cell, and escapes at A so that water is transported from a concentrated to a dilute solution although the difference in osmotic pressure of the 2 solutions is more than 8 atmospheres. The solution at B thus becomes more concentrated. It is evident that if metabolism produces a higher osmotic pressure and consequently a higher inwardly directed osmotic drive in one region of the cell as compared with other parts of the same cell water may be transferred from a concentrated to a dilute solution so that the former solution becomes still more concentrated.

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

    NASA Astrophysics Data System (ADS)

    Chen, Kewei; Zhan, Hongbin; Zhou, Renjie

    2016-07-01

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

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

    NASA Astrophysics Data System (ADS)

    Leij, Feike J.; Bradford, Scott A.

    2009-11-01

    The transport of solutes and colloids in porous media is influenced by a variety of physical and chemical nonequilibrium processes. A combined physical-chemical nonequilibrium (PCNE) model was therefore used to describe general mass transport. The model partitions the pore space into "mobile" and "immobile" flow regions with first-order mass transfer between these two regions (i.e, "physical" nonequilibrium or PNE). Partitioning between the aqueous and solid phases can either proceed as an equilibrium or a first-order process (i.e, "chemical" nonequilibrium or CNE) for both the mobile and immobile regions. An analytical solution for the PCNE model is obtained using iterated Laplace transforms. This solution complements earlier semi-analytical and numerical approaches to model solute transport with the PCNE model. The impact of selected model parameters on solute breakthrough curves is illustrated. As is well known, nonequilibrium results in earlier solute breakthrough with increased tailing. The PCNE model allows greater flexibility to describe this trend; for example, a closer resemblance between solute input and effluent pulse. Expressions for moments and transfer functions are presented to facilitate the analytical use of the PCNE model. Contours of mean breakthrough time, variance, and spread of the colloid breakthrough curves as a function of PNE and CNE parameters demonstrate the utility of a model that accounts for both physical and chemical nonequilibrium processes. The model is applied to describe representative colloid breakthrough curves in Ottawa sands reported by Bradford et al. (2002). An equilibrium model provided a good description of breakthrough curves for the bromide tracer but could not adequately describe the colloid data. A considerably better description was provide by the simple CNE model but the best description, especially for the larger 3.2-µm colloids, was provided by the PCNE model.

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

    PubMed

    Chen, Kewei; Zhan, Hongbin; Zhou, Renjie

    2016-07-01

    Solutions with one-, two-, and three-dimensional arbitrary shape source geometries will be very helpful tools for investigating a variety of contaminant transport problems in the geological media. This study proposed a general method to develop new solutions for solute transport in a saturated, homogeneous aquifer (confined or unconfined) with a constant, unilateral groundwater flow velocity. Several typical source geometries, such as arbitrary line sources, vertical and horizontal patch sources, circular and volumetric sources, were considered. The sources can sit on the upper or lower aquifer boundary to simulate light non-aqueous-phase-liquids (LNAPLs) or dense non-aqueous-phase-liquids (DNAPLs), respectively, or can be located anywhere inside the aquifer. The developed new solutions were tested against previous benchmark solutions under special circumstances and were shown to be robust and accurate. Such solutions can also be used as a starting point for the inverse problem of source zone and source geometry identification in the future. The following findings can be obtained from analyzing the solutions. The source geometry, including shape and orientation, generally played an important role for the concentration profile through the entire transport process. When comparing the inclined line sources with the horizontal line sources, the concentration contours expanded considerably along the vertical direction, and shrank considerably along the groundwater flow direction. A planar source sitting on the upper aquifer boundary (such as a LNAPL pool) would lead to significantly different concentration profiles compared to a planar source positioned in a vertical plane perpendicular to the flow direction. For a volumetric source, its dimension along the groundwater flow direction became less important compared to its other two dimensions. PMID:27153362

  13. Combined physical and chemical nonequilibrium transport model: analytical solution, moments, and application to colloids.

    PubMed

    Leij, Feike J; Bradford, Scott A

    2009-11-20

    The transport of solutes and colloids in porous media is influenced by a variety of physical and chemical nonequilibrium processes. A combined physical-chemical nonequilibrium (PCNE) model was therefore used to describe general mass transport. The model partitions the pore space into "mobile" and "immobile" flow regions with first-order mass transfer between these two regions (i.e, "physical" nonequilibrium or PNE). Partitioning between the aqueous and solid phases can either proceed as an equilibrium or a first-order process (i.e, "chemical" nonequilibrium or CNE) for both the mobile and immobile regions. An analytical solution for the PCNE model is obtained using iterated Laplace transforms. This solution complements earlier semi-analytical and numerical approaches to model solute transport with the PCNE model. The impact of selected model parameters on solute breakthrough curves is illustrated. As is well known, nonequilibrium results in earlier solute breakthrough with increased tailing. The PCNE model allows greater flexibility to describe this trend; for example, a closer resemblance between solute input and effluent pulse. Expressions for moments and transfer functions are presented to facilitate the analytical use of the PCNE model. Contours of mean breakthrough time, variance, and spread of the colloid breakthrough curves as a function of PNE and CNE parameters demonstrate the utility of a model that accounts for both physical and chemical nonequilibrium processes. The model is applied to describe representative colloid breakthrough curves in Ottawa sands reported by Bradford et al. (2002). An equilibrium model provided a good description of breakthrough curves for the bromide tracer but could not adequately describe the colloid data. A considerably better description was provide by the simple CNE model but the best description, especially for the larger 3.2-microm colloids, was provided by the PCNE model.

  14. Thermal and Colloid Related Processes and Uncertainty Affecting Plutonium Transport in NTS Groundwater

    NASA Astrophysics Data System (ADS)

    Wolfsberg, A. V.; Lu, G.; Glascoe, L. G.; McGraw, M. M.; Olson, A. J.

    2001-12-01

    Field observations of plutonium migration away from the BENHAM underground nuclear test at the Nevada Test Site (NTS) have raised concerns regarding how much of the post-test inventory may actually be mobile and how far it can be expected to move. There are two key issues associated with the field observations. First, the highest concentration of plutonium was found in a well sampling a welded tuff aquifer more than 500 m above the BENHAM emplacement location. Second, plutonium is generally believed to be immobile in groundwater as a result of reactions with immobile minerals. To address the first issue, we simulate non-isothermal flow and transport in the collapsed cavity/chimney system that forms following an underground explosion. With this model, we demonstrate the feasibility of thermally induced, vertical migration of colloids to the upper aquifer in which plutonium was detected. The second component addresses the migration of plutonium in the fractured volcanic host rock between the source and the observation wells. The reactive transport model includes solute-colloid reactions, solute reactions with fracture coating minerals, diffusion of solutes from fractures into matrix material, and solute reactions with matrix minerals. With this model, we demonstrate that very low concentrations of plutonium at the observation well are feasible when colloid-facilitated solute transport processes are considered. However, this study also highlights a very large range in model result uncertainty resulting from uncertainty in aquifer properties and transport parameters. Uncertain parameters having the greatest impact on prediction uncertainty include fracture mineral reactive surface area, groundwater oxidation/reduction potential, reactive site concentration on colloids, kinetic rates of Pu-colloid reactions, and fracture porosity. This presentation will provide comparisons of the net impact of reducing uncertainty for several primary parameters. This work was performed

  15. Using spatially detailed water-quality data and solute-transport modeling to improve support total maximum daily load development

    USGS Publications Warehouse

    Walton-Day, Katherine; Runkel, Robert L.; Kimball, Briant A.

    2012-01-01

    Spatially detailed mass-loading studies and solute-transport modeling using OTIS (One-dimensional Transport with Inflow and Storage) demonstrate how natural attenuation and loading from distinct and diffuse sources control stream water quality and affect load reductions predicted in total maximum daily loads (TMDLs). Mass-loading data collected during low-flow from Cement Creek (a low-pH, metal-rich stream because of natural and mining sources, and subject to TMDL requirements) were used to calibrate OTIS and showed spatially variable effects of natural attenuation (instream reactions) and loading from diffuse (groundwater) and distinct sources. OTIS simulations of the possible effects of TMDL-recommended remediation of mine sites showed less improvement to dissolved zinc load and concentration (14% decrease) than did the TMDL (53-63% decrease). The TMDL (1) assumed conservative transport, (2) accounted for loads removed by remediation by subtracting them from total load at the stream mouth, and (3) did not include diffuse-source loads. In OTIS, loads were reduced near their source; the resulting concentration was decreased by natural attenuation and increased by diffuse-source loads during downstream transport. Thus, by not including natural attenuation and loading from diffuse sources, the TMDL overestimated remediation effects at low flow. Use of the techniques presented herein could improve TMDLs by incorporating these processes during TMDL development.

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

    NASA Astrophysics Data System (ADS)

    Cremer, Clemens; Neuweiler, Insa

    2016-04-01

    Flow and solute transport in the shallow subsurface is strongly governed by atmospheric boundary conditions. Erratically varying infiltration and evaporation cycles lead to alternating upward and downward flow, as well as spatially and temporally varying water contents and associated hydraulic conductivity of the prevailing materials. Thus presenting a highly complicated, dynamic system. Knowledge of subsurface solute transport processes is vital to assess e.g. the entry of, potentially hazardous, solutes to the groundwater and nutrient uptake by plant roots and can be gained in many ways. Besides field measurements and numerical simulations, physical laboratory experiments represent a way to establish process understanding and furthermore validate numerical schemes. With the aim to gain a better understanding and to quantify solute transport in the unsaturated shallow subsurface under natural precipitation conditions in heterogeneous media, we conduct physical laboratory experiments in a 22 cm x 8 cm x 1 cm flow cell that is filled with two types of sand and apply cyclic infiltration-evaporation phases at the soil surface. Pressure at the bottom of the domain is kept constant. Following recent studies (Lehmann and Or, 2009; Bechtold et al., 2011a), heterogeneity is introduced by a sharp vertical interface between coarse and fine sand. Fluorescent tracers are used to i) qualitatively visualize transport paths within the domain and ii) quantify solute leaching at the bottom of the domain. Temporal and spatial variations in water content during the experiment are derived from x-ray radiographic images. Monitored water contents between infiltration and evaporation considerably changed in the coarse sand while the fine sand remained saturated throughout the experiments. Lateral solute transport through the interface in both directions at different depths of the investigated soil columns were observed. This depended on the flow rate applied at the soil surface and

  17. Interacting Physical and Biological Processes Affecting Nutrient Transport Through Human Dominated Landscapes

    NASA Astrophysics Data System (ADS)

    Finlay, J. C.

    2015-12-01

    Human activities increasingly dominate biogeochemical cycles of limiting nutrients on Earth. Urban and agricultural landscapes represent the largest sources of excess nutrients that drive water quality degradation. The physical structure of both urban and agricultural watersheds has been extensively modified, and these changes have large impacts on water and nutrient transport. Despite strong physical controls over nutrient transport in human dominated landscapes, biological processes play important roles in determining the fates of both nitrogen and phosphorus. This talk uses examples from research in urban and agricultural watersheds in the Midwestern USA to illustrate interactions of physical and biological controls over nutrient cycles that have shifted nitrogen (N) and phosphorus (P) sources and cycling in unexpected ways in response to management changes. In urban watersheds, efforts to improve water quality have been hindered by legacy sources of phosphorus added to storm water through transport to drainage systems by vegetation. Similarly, reductions in field erosion in agricultural watersheds have not led to major reductions in phosphorus transport, because of continued release of biological sources of P. Where management of phosphorus has been most effective in reducing eutrophication of lakes, decreases in N removal processes have led to long term increases in N concentration and transport. Together, these examples show important roles for biological processes affecting nutrient movement in highly modified landscapes. Consideration of the downstream physical and biological responses of management changes are thus critical toward identification of actions that will most effectively reduce excess nutrients watersheds and coastal zones.

  18. Solute movement through unsaturated fen peat: Lab and greenhouse experiments for transport study of contaminants from Athabasca oil sands tailing pond water

    NASA Astrophysics Data System (ADS)

    Price, J. S.; Rezanezhad, F.; Graf, M.; Rochefort, L.

    2009-12-01

    In the Athabasca oil sands region, wetlands specially peatland dominate the landscape. Processing oil sands produces large volumes of wet material called oil sands tailing water. Discharge of organic liquid contaminants such as Naphthenic Acids (NA) and Sodium (Na) from tailing waters have a toxic effect on plants in this region. One of the greatest barriers to peatland creation will be the elevated amount of toxins (naphthenic acid, metals and salinity) present in the post-mined landscapes. Variability in solute transport properties in the unsaturated zone is of growing concern due to environmental hazards and there are no many scientific challenges in the field of organic liquid contaminants transport through the unsaturated peat soils. The attenuation, degradation and transport of NA and Na in peat are essentially unknown. The ionizable nature of NA and Na along with the complex structure of peat soils poses challenges to characterizing the transport properties of NA and Na in the filed and laboratory. In this experimental research project, we examine the plant responses in 64 greenhouse tubs filled with peat and process-water; and study the transport and attenuation processes of NA and Na through peat in a series of laboratory column experiments. We developed an analytical method for evaluating the transport and adsorption characteristics of NA and Na to derive a clear understanding of the transport, sorption mechanisms and desorption behaviour of NA and Na with temporal evolution of the solute concentration distribution from groundwater to fen plants. The goal of this research project is to investigate how oil sands process-affected waters will affect peatland vegetation, specifically fen vegetation. In particular, we would like to know how contaminants present in oil sand process affected water will be transported through peat and how typical fen vegetation will react to a realistic contamination scenario in a controlled macrocosm environment? Research that

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

    PubMed

    Ohlsson, Gabriel; Tabaei, Seyed R; Beech, Jason; Kvassman, Jan; Johanson, Urban; Kjellbom, Per; Tegenfeldt, Jonas O; Höök, Fredrik

    2012-11-21

    Screening assays designed to probe ligand and drug-candidate regulation of membrane proteins responsible for ion-translocation across the cell membrane are wide spread, while efficient means to screen membrane-protein facilitated transport of uncharged solutes are sparse. We report on a microfluidic-based system to monitor transport of uncharged solutes across the membrane of multiple (>100) individually resolved surface-immobilized liposomes. This was accomplished by rapidly switching (<10 ms) the solution above dye-containing liposomes immobilized on the floor of a microfluidic channel. With liposomes encapsulating the pH-sensitive dye carboxyfluorescein (CF), internal changes in pH induced by transport of a weak acid (acetic acid) could be measured at time scales down to 25 ms. The applicability of the set up to study biological transport reactions was demonstrated by examining the osmotic water permeability of human aquaporin (AQP5) reconstituted in proteoliposomes. In this case, the rate of osmotic-induced volume changes of individual proteoliposomes was time resolved by imaging the self quenching of encapsulated calcein in response to an osmotic gradient. Single-liposome analysis of both pure and AQP5-containing liposomes revealed a relatively large heterogeneity in osmotic permeability. Still, in the case of AQP5-containing liposomes, the single liposome data suggest that the membrane-protein incorporation efficiency depends on liposome size, with higher incorporation efficiency for larger liposomes. The benefit of low sample consumption and automated liquid handling is discussed in terms of pharmaceutical screening applications. PMID:22895529

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

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

    A main goal of this study was to improve prediction of sediment and solute transport using soil surface and soil nutrient changes, based on field measurements, within small watersheds receiving conservation measures. Sediment samples and solute concentrations were measured from two streams in the southwestern region of the Colombian Andes. Two modeling approaches for stream discharge and sediment transport predicted were used with one of these being used for nutrient transport prediction. These streams are a part of a recent initiative from a water fund established by Asobolo, Asocaña, and Cenicaña in collaboration with the Natural Capital Project to improve conservation efforts and monitor their effects. On-site soil depth changes, groundwater depth measurements, and soil nutrient concentrations were also monitored to provide more information about changes within this mountainous watershed during one part of the yearly rainy season. This information is being coupled closely with the outlet sediment concentration and solute concentration patterns to discern correlations. Lateral transects in the upper, middle, and lower part of the hillsides in the Aguaclara watershed of the Rio Bolo watershed network showed differences in soil nutrient status and soil surface depth changes. The model based on semi-distributed hydrology was able to reproduce discharge and sediment transport rates as well as the initially used model indicating available options for comparison of conservation changes in the future.

  1. 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.

  2. 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.

  3. Solutes alter the conformation of the ligand binding loops in outer membrane transporters.

    PubMed

    Kim, Miyeon; Xu, Qi; Murray, David; Cafiso, David S

    2008-01-15

    The binding and recognition of ligands by bacterial outer membrane transport proteins is mediated in part by interactions made through their extracellular loops. Here, site-directed spin labeling (SDSL) and electron paramagnetic resonance (EPR) spectroscopy were used to examine the effect of stabilizing solutes on the extracellular loops in BtuB, the vitamin B12 transporter, and FecA, the ferric citrate transporter. EPR spectra from the extracellular loops of FecA and BtuB arise from dynamic backbone segments, and distance measurements made by double electron-electron resonance indicate that the second extracellular loop in BtuB samples a wide range of conformations. These conformations are dramatically restricted upon substrate binding. In addition, the EPR spectra from nitroxide labels attached to the extracellular loops in BtuB and FecA are highly sensitive to solutes, and at every site examined the motion of the label is significantly reduced in the presence of stabilizing osmolytes, such as polyethylene glycols. For the second extracellular loop in BtuB, the solute-induced structural changes are small, but they are sufficient to bring spin-labeled side chains into tertiary contact with other portions of the protein. The spectroscopic changes seen by SDSL suggest that high concentrations of stabilizing solutes, such as those used to generate membrane protein crystals, result in a more compact and ordered state of the protein than is seen under more physiological conditions.

  4. One-Dimensional Solute Transport in Variably Saturated Soil Using a Geocentrifuge Apparatus

    NASA Astrophysics Data System (ADS)

    Mattson, E. D.; Baker, K. E.; Palmer, C. D.; Smith, R. W.; Simunek, J.

    2003-12-01

    Solute transport data in variably saturated porous media have been difficult to obtain due to long experimental times required to conduct such experiments. Larger length scales of tens of cm require months of experimental time. These long experimental times increase the likelihood of undesirable secondary effects, such as biofouling and instrumentation failure compromising the experimental results. The geocentrifuge offers a potential experimental technique to shorten experimental time scales and thereby overcome these limitations. One-dimensional solute transport experiments (10-cm diameter by 30-cm in length) were conducted using the INEEL 2-m geocentrifuge. Potassium bromide was used as a tracer through Ottawa quartz sand to develop geocentrifuge experimental methodologies and to test a modified numerical tool to design and analyze the results from these experiments. Breakthrough curves were determined through in-flight monitoring of the electrical conductivity of the outflow at 10- and 20-``g''s. Solute transport velocity is proportional to the applied centrifugal acceleration. Breakthrough curves presented in this paper were obtained in less than 2 hours. The time it took to obtain these experimental results is inversely proportional to the applied centrifugal acceleration and is a fraction of the time that it would have taken in using traditional laboratory methods. A modified version of HYDRUS-1D was used to evaluate the solute breakthrough curves. The success of these geocentrifuge experiments suggests that the geocentrifuge technique is a practical and faster experimental methodology to complete tracer experiments in variable saturated media.

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

    PubMed Central

    Cabrita, Paulo; Thorpe, Michael; Huber, Gregor

    2013-01-01

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

  6. Generalization of one-dimensional solute transport: A stochastic-convective flow conceptualization

    NASA Astrophysics Data System (ADS)

    Simmons, C. S.

    1986-04-01

    A stochastic-convective representation of one-dimensional solute transport is derived. It is shown to conceptually encompass solutions of the conventional convection-dispersion equation. This stochastic approach, however, does not rely on the assumption that dispersive flux satisfies Fick's diffusion law. Observable values of solute concentration and flux, which together satisfy a conservation equation, are expressed as expectations over a flow velocity ensemble, representing the inherent random processess that govern dispersion. Solute concentration is determined by a Lagrangian pdf for random spatial displacements, while flux is determined by an equivalent Eulerian pdf for random travel times. A condition for such equivalence is derived for steady nonuniform flow, and it is proven that both Lagrangian and Eulerian pdfs are required to account for specified initial and boundary conditions on a global scale. Furthermore, simplified modeling of transport is justified by proving that an ensemble of effectively constant velocities always exists that constitutes an equivalent representation. An example of how a two-dimensional transport problem can be reduced to a single-dimensional stochastic viewpoint is also presented to further clarify concepts.

  7. Numerical study of solute transport in shallow beach aquifers subjected to waves and tides

    NASA Astrophysics Data System (ADS)

    Geng, Xiaolong; Boufadel, Michel C.

    2015-02-01

    A numerical study was conducted to investigate the fate of solute in a laboratory beach in response to waves and tides. A new temporal upscaling approach labeled "net inflow" was introduced to address impacts of waves on solute transport within beaches. Numerical simulations using a computational fluid dynamic model were used as boundary conditions for the two-dimensional variably saturated flow and solute transport model MARUN. The modeling approach was validated against experimental data of solute transport due to waves and tides. Exchange fluxes across the beach face and subsurface solute transport (e.g., trajectory, movement speed, and residence time) were quantified. Simulation results revealed that waves increased the exchange fluxes, and engendered a wider exchange flux zone along the beach surface. Compared to tide-only forcing, waves superimposed on tide caused the plume to be deeper into the beach, and to migrate more seaward. The infiltration into the beach was found to be directly proportional to the general hydraulic gradient in the beach and inversely proportional to the matrix retention (or capillary) capacity. The simulations showed that a higher inland water table would attenuate wave-caused seawater infiltration, which might impact beach geochemical processes (e.g., nutrient recycle and redox condition), especially at low tide zone. The concept of biochemical residence time maps (BRTM) was introduced to account for the net effect of limiting concentration of chemicals on biochemical reactions. It was found that waves shifted the BRTMs downward and seaward in the beach, and subsequently they engendered different biochemical conditions within the beach.

  8. Mathematical model formulation and validation of water and solute transport in whole hamster pancreatic islets.

    PubMed

    Benson, James D; Benson, Charles T; Critser, John K

    2014-08-01

    Optimization of cryopreservation protocols for cells and tissues requires accurate models of heat and mass transport. Model selection often depends on the configuration of the tissue. Here, a mathematical and conceptual model of water and solute transport for whole hamster pancreatic islets has been developed and experimentally validated incorporating fundamental biophysical data from previous studies on individual hamster islet cells while retaining whole-islet structural information. It describes coupled transport of water and solutes through the islet by three methods: intracellularly, intercellularly, and in combination. In particular we use domain decomposition techniques to couple a transmembrane flux model with an interstitial mass transfer model. The only significant undetermined variable is the cellular surface area which is in contact with the intercellularly transported solutes, Ais. The model was validated and Ais determined using a 3×3 factorial experimental design blocked for experimental day. Whole islet physical experiments were compared with model predictions at three temperatures, three perfusing solutions, and three islet size groups. A mean of 4.4 islets were compared at each of the 27 experimental conditions and found to correlate with a coefficient of determination of 0.87±0.06 (mean ± SD). Only the treatment variable of perfusing solution was found to be significant (p<0.05). We have devised a model that retains much of the intrinsic geometric configuration of the system, and thus fewer laboratory experiments are needed to determine model parameters and thus to develop new optimized cryopreservation protocols. Additionally, extensions to ovarian follicles and other concentric tissue structures may be made. PMID:24950195

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

    SciTech Connect

    Freedman, Vicky L.; Chen, Yousu; Gilca, Alex; Cole, Charles R.; Gupta, Sumant K.

    2006-07-20

    The CFEST (Coupled Flow, Energy, and Solute Transport) simulator described in this User’s Guide is a three-dimensional finite-element model used to evaluate groundwater flow and solute mass transport. Confined and unconfined aquifer systems, as well as constant and variable density fluid flows can be represented with CFEST. For unconfined aquifers, the model uses a moving boundary for the water table, deforming the numerical mesh so that the uppermost nodes are always at the water table. For solute transport, changes in concentra¬tion of a single dissolved chemical constituent are computed for advective and hydrodynamic transport, linear sorption represented by a retardation factor, and radioactive decay. Although several thermal parameters described in this User’s Guide are required inputs, thermal transport has not yet been fully implemented in the simulator. Once fully implemented, transport of thermal energy in the groundwater and solid matrix of the aquifer can also be used to model aquifer thermal regimes. The CFEST simulator is written in the FORTRAN 77 language, following American National Standards Institute (ANSI) standards. Execution of the CFEST simulator is controlled through three required text input files. These input file use a structured format of associated groups of input data. Example input data lines are presented for each file type, as well as a description of the structured FORTRAN data format. Detailed descriptions of all input requirements, output options, and program structure and execution are provided in this User’s Guide. Required inputs for auxillary CFEST utilities that aide in post-processing data are also described. Global variables are defined for those with access to the source code. Although CFEST is a proprietary code (CFEST, Inc., Irvine, CA), the Pacific Northwest National Laboratory retains permission to maintain its own source, and to distribute executables to Hanford subcontractors.

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

    NASA Astrophysics Data System (ADS)

    Chang, Ching-Min; Yeh, Hund-Der

    2016-09-01

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

  11. Advances in Understanding Sorption and Transport Processes Affecting the Fate of Environmental Pollutants in the Subsurface

    NASA Astrophysics Data System (ADS)

    Karapanagioti, H. K.; Werner, D.; Werth, C.

    2012-04-01

    The results of a call for a special issue that is now in press by the Journal of Contaminant Hydrology will be presented. This special issue is edited by the authors and is entitled "Sorption and Transport Processes Affecting the Fate of Environmental Pollutants in the Subsurface". A short abstract of each paper will be presented along with the most interesting results. Nine papers were accepted. Pollutants studied include: biocolloids, metals (arsenic, chromium, nickel), organic compounds such as hydrocarbons, chlorinated hydrocarbons, micropollutants (PAHs, PCBs), pesticides (glyphosate, 2,4-D). Findings presented in the papers include a modified batch reactor system to study equilibrium-reactive transport problems of metals. Column studies along with theoretical approximations evaluate the combined effects of grain size and pore water velocity on the transport in water saturated porous media of three biocolloids. A polluted sediment remediation method is evaluated considering site-specific conditions through monitoring results and modelling. A field study points to glogging and also sorption as mechanisms affecting the effectiveness of sub-surface flow constructed wetlands. A new isotherm model combining modified traditionally used isotherms is proposed that can be used to simulate pH-dependent metal adsorption. Linear free energy relationships (LFERs) demonstrate ability to predict slight isotope shifts into the groundwater due to sorption. Possible modifications that improve the reliability of kinetic models and parameter values during the evaluation of experiments that assess the sorption of pesticides on soils are tested. Challenges in selecting groundwater pollutant fate and transport models that account for the effect of grain-scale sorption rate limitations are evaluated based on experimental results and are discussed based on the Damköhler number. Finally, a thorough review paper presents the impact of mineral micropores on the transport and fate of

  12. Methane transport and emissions from soil as affected by water table and vascular plants

    PubMed Central

    2013-01-01

    Background The important greenhouse gas (GHG) methane is produced naturally in anaerobic wetland soils. By affecting the production, oxidation and transport of methane to the atmosphere, plants have a major influence upon the quantities emitted by wetlands. Different species and functional plant groups have been shown to affect these processes differently, but our knowledge about how these effects are influenced by abiotic factors such as water regime and temperature remains limited. Here we present a mesocosm experiment comparing eight plant species for their effects on internal transport and overall emissions of methane under contrasting hydrological conditions. To quantify how much methane was transported internally through plants (the chimney effect), we blocked diffusion from the soil surface with an agar seal. Results We found that graminoids caused higher methane emissions than forbs, although the emissions from mesocosms with different species were either lower than or comparable to those from control mesocosms with no plant (i.e. bare soil). Species with a relatively greater root volume and a larger biomass exhibited a larger chimney effect, though overall methane emissions were negatively related to plant biomass. Emissions were also reduced by lowering the water table. Conclusions We conclude that plant species (and functional groups) vary in the degree to which they transport methane to the atmosphere. However, a plant with a high capacity to transport methane does not necessarily emit more methane, as it may also cause more rhizosphere oxidation of methane. A shift in plant species composition from graminoids to forbs and/or from low to high productive species may lead to reduction of methane emissions. PMID:24010540

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

    USGS Publications Warehouse

    Wexler, E.J.

    1988-01-01

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

  14. Asymptotic solution of light transport problems in optically thick luminescent media

    SciTech Connect

    Şahin-Biryol, Derya Ilan, Boaz

    2014-06-15

    We study light transport in optically thick luminescent random media. Using radiative transport theory for luminescent media and applying asymptotic and computational methods, a corrected diffusion approximation is derived with the associated boundary conditions and boundary layer solution. The accuracy of this approach is verified for a plane-parallel slab problem. In particular, the reduced system models accurately the effect of reabsorption. The impacts of varying the Stokes shift and using experimentally measured luminescence data are explored in detail. The results of this study have application to the design of luminescent solar concentrators, fluorescence medical imaging, and optical cooling using anti-Stokes fluorescence.

  15. Solutions to bi-Maxwellian transport equations for radial solar wind beyond 28 R(S)

    NASA Technical Reports Server (NTRS)

    Demars, H. G.; Schunk, R. W.

    1991-01-01

    This paper presents solar wind solutions for radial flow between 28 solar radii and 1 AU using the bi-Maxwellian-based 16-moment set of transport equations. In addition to the number density, drift velocity, and parallel and perpendicular temperatures, the 16-moment equations account for the transport of both longitudinal and transverse thermal energies as well as stress. Also, using the 16-moment approximation for the distribution function and assuming plasma parameter values characteristic of the solar wind, contour plots are generated for the proton velocity distribution function. It is shown how the shape of these plots depends on various macroscopic plasma parameters.

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

    USGS Publications Warehouse

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

    1990-01-01

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

  17. Coupled effects of hydrodynamic and solution chemistry conditions on long-term nanoparticle transport and deposition in saturated porous media

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This study aims to systematically explore the coupled effects of hydrodynamic and solution chemistry conditions on the long-term transport and deposition kinetics of nanoparticles (NPs) in saturated porous media. Column transport experiments were carried out at various solution ionic strengths (IS),...

  18. Continuous time random walks for non-local radial solute transport

    NASA Astrophysics Data System (ADS)

    Dentz, Marco; Kang, Peter K.; Le Borgne, Tanguy

    2015-08-01

    This study formulates and analyzes continuous time random walk (CTRW) models in radial flow geometries for the quantification of non-local solute transport induced by heterogeneous flow distributions and by mobile-immobile mass transfer processes. To this end we derive a general CTRW framework in radial coordinates starting from the random walk equations for radial particle positions and times. The particle density, or solute concentration is governed by a non-local radial advection-dispersion equation (ADE). Unlike in CTRWs for uniform flow scenarios, particle transition times here depend on the radial particle position, which renders the CTRW non-stationary. As a consequence, the memory kernel characterizing the non-local ADE, is radially dependent. Based on this general formulation, we derive radial CTRW implementations that (i) emulate non-local radial transport due to heterogeneous advection, (ii) model multirate mass transfer (MRMT) between mobile and immobile continua, and (iii) quantify both heterogeneous advection in a mobile region and mass transfer between mobile and immobile regions. The expected solute breakthrough behavior is studied using numerical random walk particle tracking simulations. This behavior is analyzed by explicit analytical expressions for the asymptotic solute breakthrough curves. We observe clear power-law tails of the solute breakthrough for broad (power-law) distributions of particle transit times (heterogeneous advection) and particle trapping times (MRMT model). The combined model displays two distinct time regimes. An intermediate regime, in which the solute breakthrough is dominated by the particle transit times in the mobile zones, and a late time regime that is governed by the distribution of particle trapping times in immobile zones. These radial CTRW formulations allow for the identification of heterogeneous advection and mobile-immobile processes as drivers of anomalous transport, under conditions relevant for field tracer

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

    SciTech Connect

    S. K. Griffiths; R. H. Nilson

    1999-12-01

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

  20. A new algorithm for generating highly accurate benchmark solutions to transport test problems

    SciTech Connect

    Azmy, Y.Y.

    1997-06-01

    We present a new algorithm for solving the neutron transport equation in its discrete-variable form. The new algorithm is based on computing the full matrix relating the scalar flux spatial moments in all cells to the fixed neutron source spatial moments, foregoing the need to compute the angular flux spatial moments, and thereby eliminating the need for sweeping the spatial mesh in each discrete-angular direction. The matrix equation is solved exactly in test cases, producing a solution vector that is free from iteration convergence error, and subject only to truncation and roundoff errors. Our algorithm is designed to provide method developers with a quick and simple solution scheme to test their new methods on difficult test problems without the need to develop sophisticated solution techniques, e.g. acceleration, before establishing the worthiness of their innovation. We demonstrate the utility of the new algorithm by applying it to the Arbitrarily High Order Transport Nodal (AHOT-N) method, and using it to solve two of Burre`s Suite of Test Problems (BSTP). Our results provide highly accurate benchmark solutions, that can be distributed electronically and used to verify the pointwise accuracy of other solution methods and algorithms.

  1. PLIF and PTV studies of solute transport in a single fracture replica

    NASA Astrophysics Data System (ADS)

    Gasimov, P.

    2015-12-01

    A Bentheimer sandstone core sample with a stress-induced fracture was scanned with a micro-CT scanner to obtain fracture topology map, which was then used to manufacture a transparent hard PDMS replica. A medium-fluid system combination with matched refractive indices was used to conduct successive Planar Laser-Induced Fluorescence (PLIF) and Particle Tracking Velocimetry (PTV) measurements of solute transport at steady-state conditions. We map velocity fields under single-phase flow conditions with and without trapped non-wetting phase globules being present. The raw PTV data was averaged and arranged in a uniform mesh (Eulerian framework). We then used the mesh to simulate the solute transport using Markovian Random Walk technique. Taylor dispersion as well as Gelhar macrodispersion analyses are also presented. The simulation results are compared with their experimental counterparts.

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

    NASA Astrophysics Data System (ADS)

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

    1989-03-01

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

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

    SciTech Connect

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

    2013-07-01

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

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

    PubMed

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

    2011-02-14

    The time-dependent one-dimensional photon transport (radiative transfer) equation is widely used to model light propagation through turbid media with a slab geometry, in a vast number of disciplines. Several numerical and semi-analytical techniques are available to accurately solve this equation. In this work we propose a novel efficient solution technique based on eigen decomposition of the vectorized version of the photon transport equation. Using clever transformations, the four variable integro-differential equation is reduced to a set of first order ordinary differential equations using a combination of a spectral method and the discrete ordinates method. An eigen decomposition approach is then utilized to obtain the closed-form solution of this reduced set of ordinary differential equations. PMID:21369115

  5. Impact of degrading permafrost on subsurface solute transport pathways and travel times

    NASA Astrophysics Data System (ADS)

    Frampton, Andrew; Destouni, Georgia

    2015-09-01

    Subsurface solute transport under surface warming and degrading permafrost conditions is studied using a physically based model of coupled cryotic and hydrogeological flow processes combined with a particle tracking method. Changes in the subsurface water and inert solute pathways and travel times are analyzed for different modeled geological configurations. For all simulated cases, the minimum and mean travel times increase nonlinearly with warming irrespective of geological configuration and heterogeneity structure. The timing of the start of increase in travel time depends on heterogeneity structure, combined with the rate of permafrost degradation that also depends on material thermal and hydrogeological properties. The travel time changes depend on combined warming effects of: i) increase in pathway length due to deepening of the active layer, ii) reduced transport velocities due to a shift from horizontal saturated groundwater flow near the surface to vertical water percolation deeper into the subsurface, and iii) pathway length increase and temporary immobilization caused by cryosuction-induced seasonal freeze cycles.

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

    USGS Publications Warehouse

    Zhan, X.

    2003-01-01

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

  7. Use of percolation theory and Latin hypercube sampling in field-scale solute transport investigations

    SciTech Connect

    Luxmoore, R.J.; Jardine, P.M.; Gardner, R.H. ); Wilson, G.V. . Dept. of Plant and Soil Science)

    1990-01-01

    Investigations of rain-fed solute transport have been conducted at a forested hillslope site by using an in situ soil pedon and a subsurface hydrologic monitoring facility. Complementary solute transport studies on undisturbed soil columns taken from the field site have not provided data that can be directly applied to the field situation. Scaling up from columns to pedons and from pedons to hillslopes is being evaluated with percolation theory and Latin hypercube sampling methods. Percolation theory provides a means of identifying mobile zones and stagnant zones for given soil structural attributes which can be compared with column dye tracing results. The generation of frequency distributions of backwater and backbone porosities for a range of total soil porosities and pore arrangements may provide a stochastic representation of soil systems suitable for scaling up from the column scale to the pedon using the Latin hypercube sampling method. 9 refs.

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

    USGS Publications Warehouse

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

    1985-01-01

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

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

    NASA Technical Reports Server (NTRS)

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

    1989-01-01

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

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

    PubMed

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

    2016-01-12

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

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

    PubMed Central

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

    2016-01-01

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

  12. Impact of water table fluctuations on water flow and solute transport in 1D column systems

    NASA Astrophysics Data System (ADS)

    Rühle, F.; Stumpp, C.

    2012-04-01

    Although hydrological processes and mass fluxes in the unsaturated and saturated zone have been well studied separately, little is known about transition processes between these zones. Since the transition zone is dynamic and varies spatially and temporally with fluctuations of the water table, water flow and solute transport are believed to vary dynamically, too. This may influence the transport and fate of dissolved contaminants and consequently the quality of groundwater. In order to protect and maintain drinking water resources, improved understanding about hydrological processes at the dynamic interface between the unsaturated and saturated zone is needed. The objective of this study was to investigate the impact of water table fluctuations on one-dimensional vertical flow and solute transport in laboratory column systems. Therefore, two flow-through columns were constantly irrigated with groundwater at an infiltration rate of 4.7 cm/d. In one column the water table was kept statically fixed in the middle, in the other column the water table was continually fluctuated by regularly raising and lowering the outflow tube. Several multi-tracer experiments were conducted and compared injecting the tracers bromide, deuterium and 18-oxygen at different water levels. Data modelling was performed with a lumped parameter model to simulate the hydrological fluxes. Our results showed that at static water table and similar water fluxes in both columns, structural heterogeneities due to packing lead to differences in solute transport, e.g. different dispersivity. Tracer breakthrough curves were well simulated with the lumped parameter model indicating that the systems were at steady state. When the water table was fluctuated small differences in solute transport were observed. Even with a fluctuating water table the lumped parameter model yielded high modelling accuracy and indicated that under certain hydrological conditions water table fluctuations lead to slightly

  13. Wave-front sensing by use of a Green's function solution to the intensity transport equation.

    PubMed

    Woods, Simon C; Greenaway, Alan H

    2003-03-01

    A method for reconstructing an unknown wave front from measurements of its intensity distribution on two planes along the direction of propagation is described. The method solves the intensity transport equation by use of Neumann boundary conditions, leading to a solution that requires only matrix multiplication. The method provides real-time wave-front reconstruction with high accuracy and is easily reposed to permit reconstruction of the wave front in any orthonormal basis set. PMID:12630836

  14. Comparison of theory and experiment for solute transport in highly heterogeneous porous medium

    NASA Astrophysics Data System (ADS)

    Golfier, Fabrice; Quintard, Michel; Cherblanc, Fabien; Zinn, Brendan A.; Wood, Brian D.

    2007-11-01

    In this work we compare the recently developed two-region mass transfer theory reported by Ahmadi et al. [A. Ahmadi, M. Quintard, S. Whitaker (1998), Transport in chemically and mechanically heterogeneous porous media, V, two-equation model for solute transport with adsorption, Adv. Water Resour. 1998;22:59-86] with experimental results reported by Zinn et al. [Zinn, B., L. C. Meigs, C. F. Harvey, R. Haggerty, W. J. Peplinski, C. F. Von Schwerin. Experimental visualization of solute transport and mass transfer processes in two-dimensional conductivity fields with connected regions of high conductivity. Environ Sci Technol 2004;38:3916-3926]. We find that the constant mass transfer coefficient predicted by the steady-state closure to the theory, when used with the macroscale transport equation, provides a reasonable prediction of the observed breakthrough curve. However, the use of a constant mass transfer coefficient does not allow good representation of the tailing that is observed in the data. We show that the mass transfer coefficient can be represented in terms of the eigenvalue expansion of a Green's function. For a steady solution to the closure problem, this expansion leads to the effective mass transfer coefficient being defined in terms of the harmonic average of the eigenvalues of the expansion; this is consistent with previous work on this topic. To further investigate the influence of using a single, constant value for the mass transfer coefficient, we examine the solution to the mass transfer problem in terms of a mixed model, where the eigenvalues of one region (the inclusions) are kept, while the second region (the matrix) is treated as a homogenized material. The results from this comparison indicate that the mass transfer coefficient predicted via volume averaging using a quasi-steady closure could potentially be improved upon by development of new methods that retain more of the eigenvalues of the system.

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

    NASA Technical Reports Server (NTRS)

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

    1991-01-01

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

  16. Dual-permeability model for water flow and solute transport in shrinking soils

    NASA Astrophysics Data System (ADS)

    Coppola, Antonio; Gerke, Horst; Comegna, Alessandro; Basile, Angelo

    2014-05-01

    A dual-permeability approach was extended to describe preferential water flow and solute transport in shrinking soils. In the approach, the soil is treated as a dual-permeability bulk porous medium consisting of dynamic interacting matrix and fractures pore domains. Water flow and solute transport in both the domains are described by the Richards' equation and advection-dispersion equation, respectively. In the model the contributions of the two regions to water flow and solute transport is changed dynamically according to the shrinkage characteristic exhibited under soil drying. Aggregate deformation during wetting/drying cycles is assumed to change only the relative proportions of voids in the fractures and in the aggregates, while the total volume of pores (and thus the layer thickness) remains unchanged. Thus, the partial contributions of the fracture and aggregate domains, are now a function of the water content (or the pressure head h), while their sum, the bulk porosity, is assumed to be constant. Any change in the aggregate contribution to total porosity is directly converted into a proportional change in the fracture porosity. This means that bulk volume change during shrinkage is mainly determined by change in crack volume rather than by change in layer thickness. This simplified approach allows dealing with an expansive soil as with a macroscopically rigid soil. The model was already tested by investigating whether and how well hydraulic characteristics obtained under the assumption of "dynamic" dual-permeability hydraulic parameterizations, or, alternatively, assuming the rigidity of the porous medium, reproduced measured soil water contents in a shrinking soil. Here we will discuss theoretical implications of the model in terms of relative importance of the parameters involved. The relative importance will be evaluated for different flow and transport processes and for different initial and top boundary conditions. Key words: Preferential flow and

  17. Diffusion Dominant Solute Transport Modelling In Deep Repository Under The Effect of Emplacement Media Degradation - 13285

    SciTech Connect

    Kwong, S.; Jivkov, A.P.

    2013-07-01

    Deep geologic disposal of high activity and long-lived radioactive waste is being actively considered and pursued in many countries, where low permeability geological formations are used to provide long term waste contaminant with minimum impact to the environment and risk to the biosphere. A multi-barrier approach that makes use of both engineered and natural barriers (i.e. geological formations) is often used to further enhance the containment performance of the repository. As the deep repository system subjects to a variety of thermo-hydro-chemo-mechanical (THCM) effects over its long 'operational' lifespan (e.g. 0.1 to 1.0 million years, the integrity of the barrier system will decrease over time (e.g. fracturing in rock or clay)). This is broadly referred as media degradation in the present study. This modelling study examines the effects of media degradation on diffusion dominant solute transport in fractured media that are typical of deep geological environment. In particular, reactive solute transport through fractured media is studied using a 2-D model, that considers advection and diffusion, to explore the coupled effects of kinetic and equilibrium chemical processes, while the effects of degradation is studied using a pore network model that considers the media diffusivity and network changes. Model results are presented to demonstrate the use of a 3D pore-network model, using a novel architecture, to calculate macroscopic properties of the medium such as diffusivity, subject to pore space changes as the media degrade. Results from a reactive transport model of a representative geological waste disposal package are also presented to demonstrate the effect of media property change on the solute migration behaviour, illustrating the complex interplay between kinetic biogeochemical processes and diffusion dominant transport. The initial modelling results demonstrate the feasibility of a coupled modelling approach (using pore-network model and reactive

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

    SciTech Connect

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

    1984-09-01

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

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

    NASA Astrophysics Data System (ADS)

    Geiger, S.; Cortis, A.; Birkholzer, J. T.

    2010-12-01

    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.

  20. 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.

  1. 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.

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

    NASA Astrophysics Data System (ADS)

    Lu, J.; Dai, HC

    2016-11-01

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

  3. Transport of nanoparticulate material in self-assembled block copolymer micelle solutions and crystals.

    PubMed

    Cheng, Vicki A; Walker, Lynn M

    2016-01-01

    Water soluble poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) [PEO-PPO-PEO] triblock copolymers self-assemble into thermoreversible micellar crystals comprised of periodically spaced micelles. The micelles have PPO cores surrounded by hydrated PEO coronas and the dimensions of the unit cell of the organized micelles is on the order of several to tens of nanometers. Fluorescence recovery after photobleaching (FRAP) is used to quantify nanoparticle transport in these nanostructured polymer micelle systems. Diffusivity of bovine serum albumin (BSA, Dh ∼ 7 nm) is quantified across a wide range of polymer, or micelle, concentrations covering both the disordered fluid as well as the structured micellar crystal to understand the effects of nanoscale structure on particle transport. Measured particle diffusivity in these micellar systems is reduced by as much as four orders of magnitude when compared to diffusivity in free solution. Diffusivity in the disordered micellar fluid is best understood in terms of diffusion through a polymeric solution, while transport in the structured micellar phase is possibly due to hopping between interstitial sites. These results not only show that the nanoscale structures of the micelles have a measureable impact on particle diffusivity, but also demonstrate the ability to tune nanoscale transport in self-assembled materials.

  4. Data-driven LES of turbulence and solute transport in a natural stream

    NASA Astrophysics Data System (ADS)

    Khosronejad, Ali; Kozarek, Jessica; Hansen, Amy; Guentzel, Kristopher; Hondzo, Miki; Wilcock, Peter; Guala, Michele; Finlay, Jacques; Sotiropoulos, Fotis; St. Anthony Falls Lab Team; Utah State University Team

    2014-11-01

    We develop and validate a coupled 3D numerical model for carrying out high-resolution large-eddy simulations of turbulence and solute transport for a conservative tracer in a natural stream, the Eagle Creek, located ~30 miles south of Minneapolis, Minnesota. We employ the Curvilinear Immersed Boundary method along with a convection-diffusion module to simulate the transient transport of momentum and contaminant concentrations. The detailed geometry of the stream, which is about 135 m long, 2.5 m wide, and 0.2 cm deep is surveyed and used as the simulation domain. The geometry and position of large woody debris in the channel were included in the simulation to account for their effect on the transport of momentum and concentration. The numerical simulation is carried out on a grid with 25 million nodes under two tracer injection conditions, including a pulse and a plateau release. Comprehensive field measurement data is used to validate the flow and concentration field. It is shown that the simulations can accurately capture the spatial and temporal characteristics of the solute transport processes observed in the field and resolve the underlying physical phenomena at unprecedented resolution. This work was supported by NSF Grants EAR-0120914 and Univ. of Minnesota Supercomputing Institute.

  5. Cross-borehole ground-penetrating radar for monitoring and imaging solute transport within the vadose zone

    NASA Astrophysics Data System (ADS)

    Chang, Ping-Yu; Alumbaugh, David; Brainard, Jim; Hall, Laila

    2006-10-01

    A two-stage salt infiltration experiment was conducted to simulate vadose zone contaminant transport and to investigate mechanisms that affect the development of contaminant plumes in the unsaturated zone. A low-concentration sodium chloride solution (1024 ppm) was first infiltrated for 7 months through one third of a specially designed infiltrometer at a rate of 2.7 cm/d, with tap water infiltrating through the remaining two thirds at the same rate. This first stage was followed by 3 months of running tap water through the entire infiltrometer to flush the system while maintaining the same unsaturated infiltration conditions. Next, the concentration of the sodium chloride solution was increased to 6900 ppm, which was introduced at the same infiltration rate over a different one third of the infiltrometer for 3 months. This paper focuses on using cross-borehole ground-penetrating radar attenuation tomography to image the developing plume in a time-lapse sense. Attenuation is shown to increase with increasing salt concentration, and the time-lapse images indicate that regions of anomalous attenuation develop in locations where pockets of higher moisture content exist. This suggests that either preferential transport pathways develop within the finer-grained sediments exhibiting greater water retention capability or salt ions are being incorporated into the mineral surficial charge within the fine-grained materials.

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

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

    Quantification of flow and solute transport in the shallow subsurface adjacent to the atmosphere is decisive to prevent groundwater pollution and conserve groundwater quality, to develop successful remediation strategies and to understand nutrient cycling. In nature, due to erratic precipitation-evaporation patterns, soil moisture content and related hydraulic conductivity in the vadose zone are not only variable in space but also in time. Flow directions and flow paths locally change between precipitation and evaporation periods. This makes the identification and description of solute transport processes in the vadose zone a complex problem. Recent studies (Lehmann and Or, 2009; Bechtold et al., 2011a) focused on the investigation of upward transport of solutes during evaporation in heterogeneous soil columns, where heterogeneity was introduced by a sharp vertical material interface between two types of sand. Lateral solute transport through the interface in both (lateral) directions was observed at different depths of the investigated soil columns. Following recent approaches, we conduct two-dimensional numerical simulations in a similar setup which is composed of two sands with a sharp vertical material interface. The investigation is broadened from the sole evaporation to combined precipitation-evaporation cycles in order to quantify transport processes resulting from the combined effects of heterogeneous soil structure and dynamic flow conditions. Simulations are performed with a coupled finite volume and random walk particle tracking algorithm (Ippisch et al., 2006; Bechtold et al., 2011b). By comparing scenarios with cyclic boundary conditions and stationary counterparts with the same net flow rate, we found that duration and intensity of precipitation and evaporation periods potentially have an influence on lateral redistribution of solutes and thus leaching rates. Whether or not dynamic boundary conditions lead to significant deviations in the transport

  7. Does nitrogen gas bubbled through a low density polymer gel dosimeter solution affect the polymerization process?

    PubMed Central

    Shahbazi-Gahrouei, Daryoush; Gholami, Mehrdad; Pourfallah, Tayyeb Allahverdi; Keshtkar, Mohammad

    2015-01-01

    Background: On account of the lower electron density in the lung tissue, the dose distribution in the lung cannot be verified with the existing polymer gel dosimeters. Thus, the aims of this study are to make a low density polymer gel dosimeter and investigate the effect of nitrogen gas bubbles on the R2 responses and its homogeneity. Materials and Methods: Two different types of low density polymer gel dosimeters were prepared according to a composition proposed by De Deene, with some modifications. In the first type, no nitrogen gas was perfused through the gel solution and water. In the second type, to expel the dissolved oxygen, nitrogen gas was perfused through the water and gel solution. The post-irradiation times in the gels were 24 and 5 hours, respectively, with and without perfusion of nitrogen gas through the water and gel solution. Results: In the first type of gel, there was a linear correlation between the doses and R2 responses from 0 to 12 Gy. The fabricated gel had a higher dynamic range than the other low density polymer gel dosimeter; but its background R2 response was higher. In the second type, no difference in R2 response was seen in the dose ranges from 0 to 18 Gy. Both gels had a mass density between 0.35 and 0.45 g.cm-3 and CT values of about -650 to -750 Hounsfield units. Conclusion: It appeared that reactions between gelatin-free radicals and monomers, due to an increase in the gel temperature during rotation in the household mixer, led to a higher R2-background response. In the second type of gel, it seemed that the collapse of the nitrogen bubbles was the main factor that affected the R2-responses. PMID:26015914

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

    SciTech Connect

    Yaqi Wang

    2012-06-01

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

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

    SciTech Connect

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

    2015-03-28

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

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

    NASA Astrophysics Data System (ADS)

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

    2011-06-01

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

  11. Understanding Long-Term Solute Transport in Sedimentary Basins: Simulating Brine Migration in the Alberta Basin. Final Report

    SciTech Connect

    Alicia M. Wilson

    2009-11-30

    Mass transport in deep sedimentary basins places important controls on ore formation, petroleum migration, CO2 sequestration, and geochemical reactions that affect petroleum reservoir quality, but large-scale transport in this type of setting remains poorly understood. This lack of knowledge is highlighted in the resource-rich Alberta Basin, where geochemical and hydrogeologic studies have suggested residence times ranging from hundreds of millions of years to less than 5 My, respectively. Here we developed new hydrogeologic models that were constrained by geochemical observations to reconcile these two very different estimates. The models account for variable-density fluid flow, heat transport, solute transport, sediment deposition and erosion, sediment compressibility, and dissolution of salt deposits, including Cl/Br systematics. Prior interpretations of Cl/Br ratios in the Alberta Basin concluded that the brines were derived from evaporatively-concentrated brines that were subsequently diluted by seawater and freshwater; models presented here show that halite dissolution must have contributed strongly as well, which implies significantly greater rates of mass transport. This result confirms that Cl/Br ratios are subject to significant non-uniqueness and thus do not provide good independent indicators of the origin of brines. Salinity and Cl/Br ratios provided valuable new constraints for basin-scale models, however. Sensitivity studies revealed that permeabilities obtained from core- and field-scale tests were appropriate for basin-scale models, despite the differences in scale between the tests and the models. Simulations of groundwater age show that the residence time of porefluids in much of the basin is less than 100 My. Groundwater age increases with depth and approaches 200 My in the deepest part of the basin, but brines are significantly younger than their host rocks throughout the basin.

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

    PubMed

    Leung, Juliana Y; Srinivasan, Sanjay

    2016-09-01

    Modeling transport process at large scale requires proper scale-up of subsurface heterogeneity and an understanding of its interaction with the underlying transport mechanisms. A technique based on volume averaging is applied to quantitatively assess the scaling characteristics of effective mass transfer coefficient in heterogeneous reservoir models. The effective mass transfer coefficient represents the combined contribution from diffusion and dispersion to the transport of non-reactive solute particles within a fluid phase. Although treatment of transport problems with the volume averaging technique has been published in the past, application to geological systems exhibiting realistic spatial variability remains a challenge. Previously, the authors developed a new procedure where results from a fine-scale numerical flow simulation reflecting the full physics of the transport process albeit over a sub-volume of the reservoir are integrated with the volume averaging technique to provide effective description of transport properties. The procedure is extended such that spatial averaging is performed at the local-heterogeneity scale. In this paper, the transport of a passive (non-reactive) solute is simulated on multiple reservoir models exhibiting different patterns of heterogeneities, and the scaling behavior of effective mass transfer coefficient (Keff) is examined and compared. One such set of models exhibit power-law (fractal) characteristics, and the variability of dispersion and Keff with scale is in good agreement with analytical expressions described in the literature. This work offers an insight into the impacts of heterogeneity on the scaling of effective transport parameters. A key finding is that spatial heterogeneity models with similar univariate and bivariate statistics may exhibit different scaling characteristics because of the influence of higher order statistics. More mixing is observed in the channelized models with higher-order continuity. It

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

    NASA Astrophysics Data System (ADS)

    Leung, Juliana Y.; Srinivasan, Sanjay

    2016-09-01

    Modeling transport process at large scale requires proper scale-up of subsurface heterogeneity and an understanding of its interaction with the underlying transport mechanisms. A technique based on volume averaging is applied to quantitatively assess the scaling characteristics of effective mass transfer coefficient in heterogeneous reservoir models. The effective mass transfer coefficient represents the combined contribution from diffusion and dispersion to the transport of non-reactive solute particles within a fluid phase. Although treatment of transport problems with the volume averaging technique has been published in the past, application to geological systems exhibiting realistic spatial variability remains a challenge. Previously, the authors developed a new procedure where results from a fine-scale numerical flow simulation reflecting the full physics of the transport process albeit over a sub-volume of the reservoir are integrated with the volume averaging technique to provide effective description of transport properties. The procedure is extended such that spatial averaging is performed at the local-heterogeneity scale. In this paper, the transport of a passive (non-reactive) solute is simulated on multiple reservoir models exhibiting different patterns of heterogeneities, and the scaling behavior of effective mass transfer coefficient (Keff) is examined and compared. One such set of models exhibit power-law (fractal) characteristics, and the variability of dispersion and Keff with scale is in good agreement with analytical expressions described in the literature. This work offers an insight into the impacts of heterogeneity on the scaling of effective transport parameters. A key finding is that spatial heterogeneity models with similar univariate and bivariate statistics may exhibit different scaling characteristics because of the influence of higher order statistics. More mixing is observed in the channelized models with higher-order continuity. It

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

    PubMed

    Leung, Juliana Y; Srinivasan, Sanjay

    2016-09-01

    Modeling transport process at large scale requires proper scale-up of subsurface heterogeneity and an understanding of its interaction with the underlying transport mechanisms. A technique based on volume averaging is applied to quantitatively assess the scaling characteristics of effective mass transfer coefficient in heterogeneous reservoir models. The effective mass transfer coefficient represents the combined contribution from diffusion and dispersion to the transport of non-reactive solute particles within a fluid phase. Although treatment of transport problems with the volume averaging technique has been published in the past, application to geological systems exhibiting realistic spatial variability remains a challenge. Previously, the authors developed a new procedure where results from a fine-scale numerical flow simulation reflecting the full physics of the transport process albeit over a sub-volume of the reservoir are integrated with the volume averaging technique to provide effective description of transport properties. The procedure is extended such that spatial averaging is performed at the local-heterogeneity scale. In this paper, the transport of a passive (non-reactive) solute is simulated on multiple reservoir models exhibiting different patterns of heterogeneities, and the scaling behavior of effective mass transfer coefficient (Keff) is examined and compared. One such set of models exhibit power-law (fractal) characteristics, and the variability of dispersion and Keff with scale is in good agreement with analytical expressions described in the literature. This work offers an insight into the impacts of heterogeneity on the scaling of effective transport parameters. A key finding is that spatial heterogeneity models with similar univariate and bivariate statistics may exhibit different scaling characteristics because of the influence of higher order statistics. More mixing is observed in the channelized models with higher-order continuity. It

  15. Upscaling of Solute Transport in Heterogeneous Media with Non-uniform Flow and Dispersion Fields

    SciTech Connect

    Xu, Zhijie; Meakin, Paul

    2013-10-01

    An analytical and computational model for non-reactive solute transport in periodic heterogeneous media with arbitrary non-uniform flow and dispersion fields within the unit cell of length ε is described. The model lumps the effect of non-uniform flow and dispersion into an effective advection velocity Ve and an effective dispersion coefficient De. It is shown that both Ve and De are scale-dependent (dependent on the length scale of the microscopic heterogeneity, ε), dependent on the Péclet number Pe, and on a dimensionless parameter α that represents the effects of microscopic heterogeneity. The parameter α, confined to the range of [-0.5, 0.5] for the numerical example presented, depends on the flow direction and non-uniform flow and dispersion fields. Effective advection velocity Ve and dispersion coefficient De can be derived for any given flow and dispersion fields, and . Homogenized solutions describing the macroscopic variations can be obtained from the effective model. Solutions with sub-unit-cell accuracy can be constructed by homogenized solutions and its spatial derivatives. A numerical implementation of the model compared with direct numerical solutions using a fine grid, demonstrated that the new method was in good agreement with direct solutions, but with significant computational savings.

  16. EVALUATION OF DMSO TRANSPORT IN HUMAN ARTICULAR CARTILAGE: VEHICLE SOLUTIONS AND EFFECTS ON CELL FUNCTION.

    PubMed

    Kay, A G; Rooney, P; Kearney, J; Pegg, D E

    2015-01-01

    Osteochondral allografting techniques are limited by the availability of suitable donor tissue; there is an urgent need for effective cryopreservation. A fundamental requirement is the need to establish initial conditions of exposure to cryoprotectant that the chondrocytes will tolerate and that load the tissue with an adequate concentration of cryoprotectant. Three vehicle solutions to transport DMSO into the tissue were studied. Knee joints were obtained from deceased donors with appropriate consent. Whole condyles were treated with 20% w/w DMSO in each of three vehicle solutions and chondrocyte function and tissue CPA content measured. The results showed that exposure to 20% DMSO in each vehicle solution for 2 hours at 0 degrees C was tolerated without loss of GAG synthetic activity. It was observed that penetration of DMSO increased little after 1 hour of CPA exposure at 0 degrees C but the final tissue concentration of CPA was markedly lower than that in the medium. PMID:26510337

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

    USGS Publications Warehouse

    Langevin, Christian D.; Thorne, Daniel T.; Dausman, Alyssa M.; Sukop, Michael C.; Guo, Weixing

    2008-01-01

    The SEAWAT program is a coupled version of MODFLOW and MT3DMS designed to simulate three-dimensional, variable-density, saturated ground-water flow. Flexible equations were added to the program to allow fluid density to be calculated as a function of one or more MT3DMS species. Fluid density may also be calculated as a function of fluid pressure. The effect of fluid viscosity variations on ground-water flow was included as an option. Fluid viscosity can be calculated as a function of one or more MT3DMS species, and the program includes additional functions for representing the dependence on temperature. Although MT3DMS and SEAWAT are not explicitly designed to simulate heat transport, temperature can be simulated as one of the species by entering appropriate transport coefficients. For example, the process of heat conduction is mathematically analogous to Fickian diffusion. Heat conduction can be represented in SEAWAT by assigning a thermal diffusivity for the temperature species (instead of a molecular diffusion coefficient for a solute species). Heat exchange with the solid matrix can be treated in a similar manner by using the mathematically equivalent process of solute sorption. By combining flexible equations for fluid density and viscosity with multi-species transport, SEAWAT Version 4 represents variable-density ground-water flow coupled with multi-species solute and heat transport. SEAWAT Version 4 is based on MODFLOW-2000 and MT3DMS and retains all of the functionality of SEAWAT-2000. SEAWAT Version 4 also supports new simulation options for coupling flow and transport, and for representing constant-head boundaries. In previous versions of SEAWAT, the flow equation was solved for every transport timestep, regardless of whether or not there was a large change in fluid density. A new option was implemented in SEAWAT Version 4 that allows users to control how often the flow field is updated. New options were also implemented for representing constant

  18. Evidence For Diffusion Dominant Solute Transport In The Ordovician Sediments Of The Michigan Basin

    NASA Astrophysics Data System (ADS)

    Sykes, J. F.; Normani, S. D.; Yin, Y.

    2011-12-01

    A Deep Geologic Repository (DGR) for Low and Intermediate Level Radioactive Waste has been proposed by Ontario Power Generation for the Bruce site near Tiverton, Ontario, 225 km northwest of Toronto. The DGR concept envisions a repository excavated at a depth of 680 m within the low permeability (less than 10e-14 m/s) limestone Cobourg Formation beneath 200 m of Ordovician age shale. The attributes of the hydrogeologic environment for the DGR, and the potential for solute transport from a repository, were assessed using numerical models for hypothesis testing and numerical experiments. Data for the analyses included Westbay pressure measurements from the DGR site investigation boreholes. These data indicate that the Cambrian sandstone and the Niagaran Group in the Silurian are over-pressured relative to density corrected hydrostatic levels while the Ordovician limestone and shale are significantly under-pressured. The abnormal pressures provide evidence that solute transport in the low permeable Ordovician sediments is diffusion dominant. Sedimentary basins, when at hydrological equilibrium, normally show a near-hydrostatic pressure distribution. Under certain conditions, some excess pressure or pressure greater than hydrostatic can develop in low-permeability layers or other hydraulically isolated parts of systems. The processes commonly invoked to explain these over-pressures are compaction, hydrocarbon migration, diagenesis, tectonic stress or more simply topographic effects. Explanations of abnormal under-pressures include osmosis, exhumation, glaciation unloading, crustal flexure and the presence of a non-wetting gas phase in pores. A requirement of both abnormal over-pressures and under-pressures is low hydraulic conductivity in either the formation in which the abnormal pressures are observed, or in the overlying and underlying formations. Hydraulic conductivity estimates from straddle packer tests in the DGR boreholes confirm that the hydraulic

  19. A dual-permeability approach to preferential water flow and solute transport in shrinking soils

    NASA Astrophysics Data System (ADS)

    Coppola, Antonio; dragonetti, giovanna; Comegna, Alessandro; Gerke, Horst H.; Basile, Angelo

    2016-04-01

    The pore systems in most natural soils is dynamically changing due to alternating swelling and shrinkage processes, which induces changes in pore volume and pore size distribution including deformations in pore geometry. This is a serious difficulty for modeling flow and transport in dual permeability approaches, as it will also require that the geometrical deformation of both the soil matrix and the fracture porous systems be taken into account, as well as the dynamics of soil hydraulic properties in response to the domain deformations. This study follows up a previous work by the same authors extending the classical rigid (RGD) approach formerly proposed by Gerke and van Genuchten, to account for shrinking effects (SHR) in modeling water flow and solute transport in dual-permeability porous media. In this study we considered three SHR scenarios, assuming that aggregate shrinkage may change either: (i) the hydraulic properties of the two pore domains, (ii) their relative fractions, and (iii) both, hydraulic properties and fractions of the two domains. The objective was to compare simulation results obtained under the RGD and the SHR assumptions to illustrate the impact of matrix volume changes on water storage, water fluxes and solute concentrations during: 1) An infiltration process bringing an initially dry soil to saturation, 2) A drainage process starting from an initially saturated soil. For an infiltration process, the simulated wetting front and the solute concentration propagation velocity, as well as the water fluxes, water and solute exchange rates, for the three SHR scenarios significantly deviated from the RGD. By contrast, relatively similar water content profiles evolved under all scenarios during drying. Overall, compared to the RGD approach, the effect of changing the hydraulic properties and the weight of the two domains according to the shrinkage behavior of the soil aggregates induced a much more rapid response in terms of water fluxes and

  20. Solute transport under steady and transient conditions in biodegraded municipal solid waste

    NASA Astrophysics Data System (ADS)

    Bendz, David; Singh, Vijay P.

    1999-08-01

    The transport of a conservative tracer (lithium) in a large (3.5 m3) undisturbed municipal solid waste sample has been investigated under steady and fully transient conditions using a simple model. The model comprises a kinematic wave approximation for water movement, presented in a previous paper, and a strict convective solute flux law. The waste medium is conceptualized as a three-domain system consisting of a mobile domain (channels), an immobile fast domain, and an immobile slow domain. The mobile domain constitutes only a minor fraction of the medium, and the access to the major part of medium is constrained by diffusive transport. Thus the system is in a state of physical nonequilibrium. The fast immobile domain is the part of the matrix which surrounds the channels and forms the boundary between the channels and the matrix. Owing to its exposure to mobile water, which enhances the biodegradation process, this domain is assumed to be more porous and loose in its structure and therefore to respond faster to a change in solute concentration in the mobile domain compared to the regions deep inside the matrix. The diffusive mass exchange between the domains is modeled with two first-order mass transfer expressions coupled in series. Under transient conditions the system will also be in a state of hydraulic nonequilibrium. Hydraulic gradients build up between the channel domain and the matrix in response to the water input events. The gradients will govern a reversible flow and convective transport between the domains, here represented as a source/sink term in the governing equation. The model has been used to interpret and compare the results from a steady state experiment and an unsteady state experiment. By solely adjusting the size of the fraction of the immobile fast domain that is active in transferring solute, the model is capable of accurately reproducing the measured outflow breakthrough curves for both the steady and unsteady state experiments. During

  1. Control of colloid transport via solute gradients in dead-end channels

    NASA Astrophysics Data System (ADS)

    Shin, Sangwoo; Um, Eujin; Warren, Patrick; Stone, Howard

    2015-11-01

    Transport of colloids in dead-end channels is involved in widespread applications ranging from drug delivery to geophysical flows. In such geometries, Brownian motion may be considered as the sole mechanism that enables transport of colloidal particles into or out of the channels, which is, unfortunately, an extremely inefficient transport mechanism for microscale particles. Here, we explore the possibility of diffusiophoresis as a means to control the colloid transport by introducing a solute gradient along the dead-end channels. We demonstrate that the transport of colloidal particles into the dead-end channels can be either enhanced or completely prevented via diffusiophoresis. We also observe a size-dependent focusing of the particles where, as the particle size increases, the particles tend to concentrate more, and they tend to reside deeper in the channel. Our findings have implications for all manners of controlled release processes, especially for site-specific drug delivery systems where localized targeting of drugs with minimal dispersion to the non-target is essential.

  2. Simulation of hydrodynamics and solute transport in the Pamlico River estuary, North Carolina

    USGS Publications Warehouse

    Bales, Jerad; Robbins, Jeanne C.

    1995-01-01

    An investigation was conducted to characterize flow, circulation, and solute transport in the Pamlico River estuary, North Carolina. The study included a detailed field-measurement program and the calibration, validation, and application of a physically realistic numerical model of hydro- dynamics and transport. Water level, salinity, water temperature, wind speed and direction, and current data were collected during March 1988 through September 1992, and were used to characterize physical conditions in the estuary. Data from pre- existing streamflow gaging stations and meteoro- logical stations were also used. A two-dimensional vertically averaged hydrodynamic and solute transport model was applied to the 48-kilometer study reach. The model domain was discretized into 5,620 separate 200- by 200-meter computational cells. Model calibration was achieved through adjustment of parameters for June 14-30, 1991. Data from selected periods in 1989 and 1991 were used for model validation. Water levels used for model calibration and validation ranged from -0.052 to 0.698 meter; salinities ranged from 0.1 to 13.1 parts per thousand; and wind speeds ranged from calm to 22 meters per second. The model was tested for stratified and unstratified conditions. Simulated and observed data were used to evaluate model performance. The calibrated model was applied for selected periods in 1989 and 1991. Instantaneous flows were simulated at each boundary and at mid- estuary. Circulation patterns were characterized using vector plots, particle tracking, and solute transport. Particle tracks showed that materials released at mid-estuary may remain in the system for 25 days or longer.

  3. A multiscale 3D finite element analysis of fluid/solute transport in mechanically loaded bone

    PubMed Central

    Fan, Lixia; Pei, Shaopeng; Lucas Lu, X; Wang, Liyun

    2016-01-01

    The transport of fluid, nutrients, and signaling molecules in the bone lacunar–canalicular system (LCS) is critical for osteocyte survival and function. We have applied the fluorescence recovery after photobleaching (FRAP) approach to quantify load-induced fluid and solute transport in the LCS in situ, but the measurements were limited to cortical regions 30–50 μm underneath the periosteum due to the constrains of laser penetration. With this work, we aimed to expand our understanding of load-induced fluid and solute transport in both trabecular and cortical bone using a multiscaled image-based finite element analysis (FEA) approach. An intact murine tibia was first re-constructed from microCT images into a three-dimensional (3D) linear elastic FEA model, and the matrix deformations at various locations were calculated under axial loading. A segment of the above 3D model was then imported to the biphasic poroelasticity analysis platform (FEBio) to predict load-induced fluid pressure fields, and interstitial solute/fluid flows through LCS in both cortical and trabecular regions. Further, secondary flow effects such as the shear stress and/or drag force acting on osteocytes, the presumed mechano-sensors in bone, were derived using the previously developed ultrastructural model of Brinkman flow in the canaliculi. The material properties assumed in the FEA models were validated against previously obtained strain and FRAP transport data measured on the cortical cortex. Our results demonstrated the feasibility of this computational approach in estimating the fluid flux in the LCS and the cellular stimulation forces (shear and drag forces) for osteocytes in any cortical and trabecular bone locations, allowing further studies of how the activation of osteocytes correlates with in vivo functional bone formation. The study provides a promising platform to reveal potential cellular mechanisms underlying the anabolic power of exercises and physical activities in

  4. Transport of conservative solutes in simulated fracture networks: 1. Synthetic data generation

    NASA Astrophysics Data System (ADS)

    Reeves, Donald M.; Benson, David A.; Meerschaert, Mark M.

    2008-05-01

    This paper investigates whether particle ensembles in a fractured rock domain may be adequately modeled as an operator-stable plume. If this statistical model applies to transport in fractured media, then an ensemble plume in a fractured rock domain may be modeled using the novel Fokker-Planck evolution equation of the operator-stable plume. These plumes (which include the classical multi-Gaussian as a subset) are typically characterized by power law leading-edge concentration profiles and super-Fickian growth rates. To investigate the possible correspondence of ensemble plumes to operator-stable densities, we use numerical simulations of fluid flow and solute transport through large-scale (2.5 km by 2.5 km), randomly generated fracture networks. These two-dimensional networks are generated according to fracture statistics obtained from field studies that describe fracture length, transmissivity, density, and orientation. A fracture continuum approach using MODFLOW is developed for the solution of fluid flow within the fracture network and low-permeability rock matrix, while a particle-tracking code, random walk particle method for simulating transport in heterogeneous permeable media (RWHet), is used to simulate the advective motion of conservative solutes through the model domain. By deterministically mapping individual fractures onto a highly discretized finite difference grid (1 m × 1 m × 1 m here), the MODFLOW "continuum" simulations can faithfully preserve details of the generated network and can approximate fluid flow in a discrete fracture network model. An advantage of the MODFLOW approach is that matrix permeability can be made nonzero to account for any degree of matrix flow and/or transport.

  5. Effects of alongshore morphology on groundwater flow and solute transport in a nearshore aquifer

    NASA Astrophysics Data System (ADS)

    Zhang, Ying; Li, Ling; Erler, Dirk V.; Santos, Isaac; Lockington, David

    2016-02-01

    Variations of beach morphology in both the cross-shore and alongshore directions, associated with tidal creeks, are common at natural coasts, as observed at a field site on the east coast of Rarotonga, Cook Islands. Field investigations and three-dimensional (3-D) numerical simulations were conducted to study the nearshore groundwater flow and solute transport in such a system. The results show that the beach morphology, combined with tides, induced a significant alongshore flow and modified local pore water circulation and salt transport in the intertidal zone substantially. The bathymetry and hydraulic head of the creek enabled further and more rapid landward intrusion of seawater along the creek than in the aquifer, which created alongshore hydraulic gradient and solute concentration gradient to drive pore water flow and salt transport in the alongshore direction within the aquifer. The effects of the creek led to the formation of a saltwater plume in groundwater at an intermediate depth between fresher water zones on a cross-shore transect. The 3-D pore water flow in the nearshore zone was also complicated by the landward hydraulic head condition, resulting in freshwater drainage across the inland section of the creek while seawater infiltrating the seaward section. These results provided new insights into the complexity, intensity, and time scales of mixing among fresh groundwater, recirculating seawater and creek water in three dimensions. The 3-D characteristics of nearshore pore water flow and solute transport have important implications for studies of submarine groundwater discharge and associated chemical input to the coastal sea, and for evaluation of the beach habitat conditions.

  6. Capillary-Driven Solute Transport and Precipitation in Porous Media during Dry-Out

    NASA Astrophysics Data System (ADS)

    Ott, Holger; Andrew, Matthew; Blunt, Martin; Snippe, Jeroen

    2014-05-01

    The injection of dry or under-saturated gases or supercritical (SC) fluids into water bearing formations might lead to a formation dry-out in the vicinity of the injection well. The dry-out is caused by the evaporation/dissolution of formation water into the injected fluid and the subsequent transport of dissolved water in the injected fluid away from the injection well. Dry-out results in precipitation from solutes of the formation brine and consequently leads to a reduction of the rock's pore space (porosity) and eventually to a reduction of permeability near the injection well, or even to the loss of injectivity. Recently evidence has been found that the complexity of the pore space and the respective capillary driven solute transport plays a key role. While no effective-permeability (Keff) reduction was observed in a single-porosity sandstone, multi porosity carbonate rocks responded to precipitation with a strong reduction of Keff. The reason for the different response of Keff to salt precipitation is suspected to be in the exact location of the precipitate (solid salt) in the pore space. In this study, we investigate dry-out and salt precipitation due to supercritical CO2 injection in single and multi-porosity systems under near well-bore conditions. We image fluid saturation changes by means of μCT scanning during desaturation. We are able to observe capillary driven transport of the brine phase and the respective transport of solutes on the rock's pore scale. Finally we have access to the precipitated solid-salt phase and their distribution. The results can proof the thought models behind permeability porosity relationships K(φ) for injectivity modeling. The topic and the mechanisms we show are of general interest for drying processes in porous material such as soils and paper.

  7. Quantitative Analysis of Major Factors Affecting Black Carbon Transport and Concentrations in the Unique Atmospheric Structures of Urban Environment

    NASA Astrophysics Data System (ADS)

    Liang, Marissa Shuang

    Black carbon (BC) from vehicular emission in transportation is a principal component of particulate matters ≤ 2.5 mum (PM2.5). PM2.5 and other diesel emission pollutants (e.g., NOx) are regulated by the Clean Air Act (CAA) according to the National Ambient Air Quality standards (NAAQS). This doctoral dissertation details a study on transport behaviors of black carbon and PM2.5 from transportation routes, their relations with the atmospheric structure of an urban formation, and their relations with the use of biodiesel fuels. The results have implications to near-road risk assessment and to the development of sustainable transportation solutions in urban centers. The first part of study quantified near-roadside black carbon transport as a function of particulate matter (PM) size and composition, as well as microclimatic variables (temperature and wind fields) at the interstate highway I-75 in northern Cincinnati, Ohio. Among variables examined, wind speed and direction significantly affect the roadside transport of black carbon and hence its effective emission factor. Observed non-Gaussian dispersion occurred during low wind and for wind directions at acute angles or upwind to the receptors, mostly occurring in the morning hours. Meandering of air pollutant mass under thermal inversion is likely the driving force. In contrary, Gaussian distribution predominated in daytime of strong downwinds. The roles of urban atmospheric structure, wind fields, and the urban heat island (UHI) effects were further examined on pollutant dispersion and transport. Spatiotemporal variations of traffic flow, atmospheric structure, ambient temperature and PM2.5 concentration data from 14 EPA-certified NAAQS monitoring stations, were analyzed in relation to land-use in the Cincinnati metropolitan area. The results show a decade-long UHI effects with higher interior temperature than that in exurban, and a prominent nocturnal thermal inversion frequent in urban boundary layer. The

  8. Modeling variably saturated multispecies reactive groundwater solute transport with MODFLOW-UZF and RT3D

    USGS Publications Warehouse

    Bailey, Ryan T.; Morway, Eric D.; Niswonger, Richard G.; Gates, Timothy K.

    2013-01-01

    A numerical model was developed that is capable of simulating multispecies reactive solute transport in variably saturated porous media. This model consists of a modified version of the reactive transport model RT3D (Reactive Transport in 3 Dimensions) that is linked to the Unsaturated-Zone Flow (UZF1) package and MODFLOW. Referred to as UZF-RT3D, the model is tested against published analytical benchmarks as well as other published contaminant transport models, including HYDRUS-1D, VS2DT, and SUTRA, and the coupled flow and transport modeling system of CATHY and TRAN3D. Comparisons in one-dimensional, two-dimensional, and three-dimensional variably saturated systems are explored. While several test cases are included to verify the correct implementation of variably saturated transport in UZF-RT3D, other cases are included to demonstrate the usefulness of the code in terms of model run-time and handling the reaction kinetics of multiple interacting species in variably saturated subsurface systems. As UZF1 relies on a kinematic-wave approximation for unsaturated flow that neglects the diffusive terms in Richards equation, UZF-RT3D can be used for large-scale aquifer systems for which the UZF1 formulation is reasonable, that is, capillary-pressure gradients can be neglected and soil parameters can be treated as homogeneous. Decreased model run-time and the ability to include site-specific chemical species and chemical reactions make UZF-RT3D an attractive model for efficient simulation of multispecies reactive transport in variably saturated large-scale subsurface systems.

  9. Diffusion Dominant Solute Transport Modelling in Fractured Media Under Deep Geological Environment - 12211

    SciTech Connect

    Kwong, S.; Jivkov, A.P.

    2012-07-01

    Deep geologic disposal of high activity and long-lived radioactive waste is gaining increasing support in many countries, where suitable low permeability geological formation in combination with engineered barriers are used to provide long term waste contaminant and minimise the impacts to the environment and risk to the biosphere. This modelling study examines the solute transport in fractured media under low flow velocities that are relevant to a deep geological environment. In particular, reactive solute transport through fractured media is studied using a 2-D model, that considers advection and diffusion, to explore the coupled effects of kinetic and equilibrium chemical processes. The effects of water velocity in the fracture, matrix porosity and diffusion on solute transport are investigated and discussed. Some illustrative modelled results are presented to demonstrate the use of the model to examine the effects of media degradation on solute transport, under the influences of hydrogeological (diffusion dominant) and microbially mediated chemical processes. The challenges facing the prediction of long term degradation such as cracks evolution, interaction and coalescence are highlighted. The potential of a novel microstructure informed modelling approach to account for these effects is discussed, particularly with respect to investigating multiple phenomena impact on material performance. The GRM code is used to examine the effects of media degradation for a geological waste disposal package, under the combined hydrogeological (diffusion dominant) and chemical effects in low groundwater flow conditions that are typical of deep geological disposal systems. An illustrative reactive transport modelling application demonstrates the use of the code to examine the interplay of kinetic controlled biogeochemical reactive processes with advective and diffusive transport, under the influence of media degradation. The initial model results are encouraging which show the

  10. Role of turgor pressure and solute transport in plant cell growth: Progress report

    SciTech Connect

    Cosgrove, D.J.

    1987-10-15

    Plant cell expansion requires coordinationion of three distinct processes: wall relaxation and synthesis, water uptake, and solute uptake. Wall relaxation reduces cell turgor pressure and thereby generates the reduced water for water potential needed uptake. Our studies with pea (Pisum sativum L.) and soybean (Glycine max Merr.) seedlings have shown that water uptake is rapid and is not a major control point for growth. Our current focus is on the processes of wall relaxation and solute transport, and how they are influenced by water stress. One major goal of this project is to examine in detail the dependence of wall yielding on turgor pressure. This is being done by detailed measurements of wall relaxation in living cells, using a computer-assisted pressure microprobe and the new pressure-block technique. Our pressure-block results indicate that wall relaxation is more dynamic than expected. Rapid changes in wall yielding appear to compensate for minor fluctuations in cell turgor pressure, thus maintaining stable growth rates. A second major goal of this project is to determine the interrelationship between cell expansion and solute transport into expanding cells. We will selectively block either cell expansion or solute transport, and measure the effect of such blockage on the unblocked process. A third goal is to examine the basis for reduced cell expansion when plants are water stressed. Our results indicate that growth is retarded in part because of reduced turgor pressure, and in part because of reduced cell wall relaxation. The alteration in wall relaxation will be examined by in-vivo relaxation methods. Thus studies will provide insight into the basic cellular and physical processes controlling plant growth, and how they are perturbed by water stress. 8 refs., 1 fig.

  11. Modeling watershed-scale solute transport using an integrated, process-based hydrologic model with applications to bacterial fate and transport

    NASA Astrophysics Data System (ADS)

    Niu, Jie; Phanikumar, Mantha S.

    2015-10-01

    Distributed hydrologic models that simulate fate and transport processes at sub-daily timescales are useful tools for estimating pollutant loads exported from watersheds to lakes and oceans downstream. There has been considerable interest in the application of integrated process-based hydrologic models in recent years. While the models have been applied to address questions of water quantity and to better understand linkages between hydrology and land surface processes, routine applications of these models to address water quality issues are currently limited. In this paper, we first describe a general process-based watershed-scale solute transport modeling framework, based on an operator splitting strategy and a Lagrangian particle transport method combined with dispersion and reactions. The transport and the hydrologic modules are tightly coupled and the interactions among different hydrologic components are explicitly modeled. We test transport modules using data from plot-scale experiments and available analytical solutions for different hydrologic domains. The numerical solutions are also compared with an analytical solution for groundwater transit times with interactions between surface and subsurface flows. Finally, we demonstrate the application of the model to simulate bacterial fate and transport in the Red Cedar River watershed in Michigan and test hypotheses about sources and transport pathways. The watershed bacterial fate and transport model is expected to be useful for making near real-time predictions at marine and freshwater beaches.

  12. Defective copper transport in the copt5 mutant affects cadmium tolerance.

    PubMed

    Carrió-Seguí, Angela; Garcia-Molina, Antoni; Sanz, Amparo; Peñarrubia, Lola

    2015-03-01

    Cadmium toxicity interferes with essential metal homeostasis, which is a problem for both plant nutrition and the consumption of healthy food by humans. Copper uptake is performed by the members of the Arabidopsis high affinity copper transporter (COPT) family. One of the members, COPT5, is involved in copper recycling from the vacuole toward the cytosolic compartment. We show herein that copt5 mutants are more sensitive to cadmium stress than wild-type plants, as indicated by reduced growth. Exacerbated cadmium toxicity in copt5 mutants is due specifically to altered copper traffic through the COPT5 transporter. Three different processes which have been shown to affect cadmium tolerance are altered in copt5 mutants. First, ethylene biosynthesis diminishes under copper deficiency and, in the presence of cadmium, ethylene production diminishes further. Copper deficiency responses are also attenuated under cadmium treatment. Remarkably, while copt5 roots present higher oxidative stress toxicity symptoms than controls, aerial copt5 parts display lower oxidative stress, as seen by reduced cadmium delivery to shoots. Taken together, these results demonstrate that copper transport plays a key role in cadmium resistance, and suggest that oxidative stress triggers an NADPH oxidase-mediated signaling pathway, which contributes to cadmium translocation and basal plant resistance. The slightly lower cadmium levels that reach aerial parts in the copt5 mutants, irrespective of the copper content in the media, suggest a new biotechnological approach to minimize toxic cadmium entry into food chains.

  13. Transport of Escherichia coli and solutes during waste water infiltration in an urban alluvial aquifer

    NASA Astrophysics Data System (ADS)

    Foppen, J. W. A.; van Herwerden, M.; Kebtie, M.; Noman, A.; Schijven, J. F.; Stuyfzand, P. J.; Uhlenbrook, S.

    2008-01-01

    Recharge of waste water in an unconsolidated poorly sorted alluvial aquifer is a complex process, both physically and hydrochemically. The aim of this paper is to analyse and conceptualise vertical transport mechanisms taking place in an urban area of extensive wastewater infiltration by analysing and combining the water balance, the microbial ( Escherichia coli) mass balance, and the mass balance for dissolved solutes. For this, data on sediment characteristics (grain size, organic carbon, reactive iron, and calcite), groundwater levels, and concentrations of E. coli in groundwater and waste water were collected. In the laboratory, data on E. coli decay rate coefficients, and on bacteria retention characteristics of the sediment were collected via column experiments. The results indicated that shallow groundwater, at depths of 50 m below the surface, was contaminated with E. coli concentrations as high as 10 6 CFU/100 mL. In general, E. coli concentrations decreased only 3 log units from the point of infiltration to shallow groundwater. Concentrations were lower at greater depths in the aquifer. In laboratory columns of disturbed sediments, bacteria removal was 2-5 log units/0.5 cm column sediment. Because of the relatively high E. coli concentrations in the shallow aquifer, transport had likely taken place via a connected network of pores with a diameter large enough to allow bacterial transport instead of via the sediment matrix, which was inaccessible for bacteria, as was clear from the column experiments. The decay rate coefficient was determined from laboratory microcosms to be 0.15 d - 1 . Assuming that decay in the aquifer was similar to decay in the laboratory, then the pore water flow velocity between the point of infiltration and shallow groundwater, coinciding with a concentration decrease of 3 log units, was 0.38 m/d, and therefore, transport in this connected network of pores was fast. According to the water balance of the alluvial aquifer, determined

  14. Reactive transport in a partially molten system with binary solid solution

    NASA Astrophysics Data System (ADS)

    Jordan, Jacob S.; Hesse, Marc A.

    2015-12-01

    Melt extraction from the Earth's mantle through high-porosity channels is required to explain the composition of the oceanic crust. Feedbacks from reactive melt transport are thought to localize melt into a network of high-porosity channels. Recent studies invoke lithological heterogeneities in the Earth's mantle to seed the localization of partial melts. Therefore, it is necessary to understand the reaction fronts that form as melt flows across the lithological interface between the heterogeneity and the ambient mantle. Here we present a chromatographic analysis of reactive melt transport across lithological boundaries, using the theory of hyperbolic conservation laws. This is an extension of linear trace element chromatography to the coupling of major elements and energy transport. Our analysis allows the prediction of the nonlinear feedbacks that arise in reactive melt transport due to changes in porosity. This study considers the special case of a partially molten porous medium with binary solid solution. As melt traverses a lithological contact, binary solid solution leads to the formation of a reacted zone between an advancing reaction front and the initial contact. The analysis also shows that the behavior of a fertile heterogeneity depends on its absolute concentration, in addition to compositional differences between itself and the refractory background. We present a regime diagram that predicts if melt emanating from a fertile heterogeneity localizes into high-porosity channels or develops a zero porosity shell. The theoretical framework presented here provides a useful tool for understanding nonlinear feedbacks in reactive melt transport, because it can be extended to more complex and realistic phase behaviors.

  15. Reactive solute transport in streams: A surface complexation approach for trace metal sorption

    USGS Publications Warehouse

    Runkel, R.L.; Kimball, B.A.; McKnight, Diane M.; Bencala, K.E.

    1999-01-01

    A model for trace metals that considers in-stream transport, metal oxide precipitation-dissolution, and pH-dependent sorption is presented. Linkage between a surface complexation submodel and the stream transport equations provides a framework for modeling sorption onto static and/or dynamic surfaces. A static surface (e.g., an iron-oxide-coated streambed) is defined as a surface with a temporally constant solid concentration. Limited contact between solutes in the water column and the static surface is considered using a pseudokinetic approach. A dynamic surface (e.g., freshly precipitated metal oxides) has a temporally variable solid concentration and is in equilibrium with the water column. Transport and deposition of solute mass sorbed to the dynamic surface is represented in the stream transport equations that include precipitate settling. The model is applied to a pH-modification experiment in an acid mine drainage stream. Dissolved copper concentrations were depressed for a 3 hour period in response to the experimentally elevated pH. After passage of the pH front, copper was desorbed, and dissolved concentrations returned to ambient levels. Copper sorption is modeled by considering sorption to aged hydrous ferric oxide (HFO) on the streambed (static surface) and freshly precipitated HFO in the water column (dynamic surface). Comparison of parameter estimates with reported values suggests that naturally formed iron oxides may be more effective in removing trace metals than synthetic oxides used in laboratory studies. The model's ability to simulate pH, metal oxide precipitation-dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between trace metal chemistry and hydrologic transport at the field scale.

  16. Fate and transport of oil sand process-affected water into the underlying clay till: a field study.

    PubMed

    Abolfazlzadehdoshanbehbazari, Mostafa; Birks, S Jean; Moncur, Michael C; Ulrich, Ania C

    2013-08-01

    The South Tailings Pond (STP) is a ~2300-ha tailing pond operated by Suncor Energy Inc. that has received oil sand process-affected (PA) water and mature fine tailings since 2006. The STP is underlain by a clay till, which is in turn underlain by the Wood Creek Sand Channel (WCSC). The sandy deposits of the WCSC provide greater geotechnical stability but could act as a potential flow pathway for PA water to migrate off site and into the Athabasca River. Preliminary modeling of the STP suggests that PA water from the pond will infiltrate into the underlying sand channel, but the extent and development of this impact is still poorly understood. Suncor Energy Inc. built interception wells and a cut-off-wall to control any potential seepage. Here we present the results of an investigation of the fate and transport of PA water in clay till underlying a 10 m × 10 m infiltration pond that was constructed on the southeastern portion of the STP. The geochemistry of pore water in the till underlying the infiltration pond was determined prior to filling with process-affected water (2008) and two years after the infiltration pond was filled with PA waters (2010). Pore water was analyzed for metals, cations, anions, and isotopes ((2)H and (18)O). The distribution of conservative tracers ((18)O and chloride) indicated migration of the PA waters to approximately 0.9 m, but the migrations of major ions and metals were significantly delayed relative to this depth. Uptake of Na and Mo and release of Ca, Mg, Mn, Ba, and Sr suggest that adsorption and ion exchange reactions are the foremost attenuation processes controlling inorganic solutes transport.

  17. Fate and transport of oil sand process-affected water into the underlying clay till: A field study

    NASA Astrophysics Data System (ADS)

    Abolfazlzadehdoshanbehbazari, Mostafa; Birks, S. Jean; Moncur, Michael C.; Ulrich, Ania C.

    2013-08-01

    The South Tailings Pond (STP) is a ~ 2300-ha tailing pond operated by Suncor Energy Inc. that has received oil sand process-affected (PA) water and mature fine tailings since 2006. The STP is underlain by a clay till, which is in turn underlain by the Wood Creek Sand Channel (WCSC). The sandy deposits of the WCSC provide greater geotechnical stability but could act as a potential flow pathway for PA water to migrate off site and into the Athabasca River. Preliminary modeling of the STP suggests that PA water from the pond will infiltrate into the underlying sand channel, but the extent and development of this impact is still poorly understood. Suncor Energy Inc. built interception wells and a cut-off-wall to control any potential seepage. Here we present the results of an investigation of the fate and transport of PA water in clay till underlying a 10 m × 10 m infiltration pond that was constructed on the southeastern portion of the STP. The geochemistry of pore water in the till underlying the infiltration pond was determined prior to filling with process-affected water (2008) and two years after the infiltration pond was filled with PA waters (2010). Pore water was analyzed for metals, cations, anions, and isotopes (2H and 18O). The distribution of conservative tracers (18O and chloride) indicated migration of the PA waters to approximately 0.9 m, but the migrations of major ions and metals were significantly delayed relative to this depth. Uptake of Na and Mo and release of Ca, Mg, Mn, Ba, and Sr suggest that adsorption and ion exchange reactions are the foremost attenuation processes controlling inorganic solutes transport.

  18. Fate and transport of oil sand process-affected water into the underlying clay till: a field study.

    PubMed

    Abolfazlzadehdoshanbehbazari, Mostafa; Birks, S Jean; Moncur, Michael C; Ulrich, Ania C

    2013-08-01

    The South Tailings Pond (STP) is a ~2300-ha tailing pond operated by Suncor Energy Inc. that has received oil sand process-affected (PA) water and mature fine tailings since 2006. The STP is underlain by a clay till, which is in turn underlain by the Wood Creek Sand Channel (WCSC). The sandy deposits of the WCSC provide greater geotechnical stability but could act as a potential flow pathway for PA water to migrate off site and into the Athabasca River. Preliminary modeling of the STP suggests that PA water from the pond will infiltrate into the underlying sand channel, but the extent and development of this impact is still poorly understood. Suncor Energy Inc. built interception wells and a cut-off-wall to control any potential seepage. Here we present the results of an investigation of the fate and transport of PA water in clay till underlying a 10 m × 10 m infiltration pond that was constructed on the southeastern portion of the STP. The geochemistry of pore water in the till underlying the infiltration pond was determined prior to filling with process-affected water (2008) and two years after the infiltration pond was filled with PA waters (2010). Pore water was analyzed for metals, cations, anions, and isotopes ((2)H and (18)O). The distribution of conservative tracers ((18)O and chloride) indicated migration of the PA waters to approximately 0.9 m, but the migrations of major ions and metals were significantly delayed relative to this depth. Uptake of Na and Mo and release of Ca, Mg, Mn, Ba, and Sr suggest that adsorption and ion exchange reactions are the foremost attenuation processes controlling inorganic solutes transport. PMID:23752067

  19. PHAST--a program for simulating ground-water flow, solute transport, and multicomponent geochemical reactions

    USGS Publications Warehouse

    Parkhurst, David L.; Kipp, Kenneth L.; Engesgaard, Peter; Charlton, Scott R.

    2004-01-01

    The computer program PHAST simulates multi-component, reactive solute transport in three-dimensional saturated ground-water flow systems. PHAST is a versatile ground-water flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. PHAST is applicable to the study of natural and contaminated ground-water systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock-water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, density-dependent flow, or waters with high ionic strengths. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux, and leaky conditions, as well as the special cases of rivers and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, gases, surface complexation sites, ion exchange sites, and solid solutions; and (3) kinetic reactions with rates that are a function of solution composition. The aqueous model (elements, chemical reactions, and equilibrium constants), minerals, gases, exchangers, surfaces, and rate expressions may be defined or modified by the user. A number of options are available to save results of simulations to output files. The data may be saved in three formats: a format suitable for viewing with a text editor; a

  20. Effects of Different Factors on Water Flow and Solute Transport Investigated by Time Domain Reflectometry in Sandy Clay Loam Field Soil.

    PubMed

    Merdun, Hasan

    2012-09-01

    Factors affecting preferential flow and transport in the vadose zone need to be investigated by experiments and simulations to protect groundwater against surface applied chemicals. The objectives of this study were to investigate the effects of several factors (soil structure, initial soil water content (SWC), and application rate) and their interactions on the extent of preferential flow and transport in a sandy clay loam field soil using the time domain reflectometry (TDR) for measuring SWC and electrical conductivity (EC) in 12 treatments, modeling (by HYDRUS-1D and VS2DTI) the measured SWC and EC, and conducting statistical tests for comparing the means of the measured and modeled SWC and EC and solute transport parameters (pore water velocity and dispersion coefficient) obtained by inversely fitting in the CXTFIT program. The study results showed that the applied solution moved faster in the undisturbed, wet initial SWC, and higher application rate experimental conditions than in the disturbed, dry initial SWC, and lower application rate, respectively, based on the analysis of the changes in TDR measured SWC and EC with depth at 1, 2, 5, and 15 h of the experiments. However, the effects of interactive factors or treatments on water flow and solute transport were not clear enough. The modeling results showed that HYDRUS-1D was better than VS2DTI in the estimation of EC and especially SWC, but overall the models had relatively low performances in the simulations. Statistical test results also showed that the treatments had different flow and transport characteristics because they were divided into different groups in terms of the means of SWC and EC and solute transport parameters. These results suggest that similar experiments with more distinct interactions and modeling studies with different approaches need to be considered for better understanding the complex flow and transport processes in the vadose zone. PMID:23002311

  1. A fast flux tube-based method for solute-transport simulation

    NASA Astrophysics Data System (ADS)

    Atteia, Olivier; Huberson, Serge; Dupuy, Alain

    2011-03-01

    A new method to calculate the transport of dissolved species in aquifers is presented. This approach is an extension of the stream tubes which are used for flow computation. The flux tubes defined here are conservative for solutes, but not for water mass. The flux tubes are first defined in a general domain and then calculated in a two-dimensional uniform flow field. The tubes' computation is based on a parametric solution. The method is extended further in order to deal with heterogeneous media. A particle-tracking algorithm is used where the deviation of the flux-tube boundaries due to dispersion is accounted for. The approximate solution obtained by this approach is compared to classical numerical solutions given by a finite difference code (RT3D) and a finite element code (FEFLOW). This comparison was performed for several test cases with increasing complexity. The differences between the flux-tube approach and the other methods always remain small, even regarding mass conservation. The major advantage of the flux-tube approach is the ability to reach a solution quickly, as the method is hundreds to thousands of times faster than classical finite difference or finite element models.

  2. Solute transport properties of compacted Ca-bentonite used in FEBEX project

    NASA Astrophysics Data System (ADS)

    García-Gutiérrez, M.; Missana, T.; Mingarro, M.; Samper, J.; Dai, Z.; Molinero, J.

    2001-02-01

    The present Spanish concept of a deep geological high level waste repository includes an engineered clay barrier around the canister. The clay presents a very high sorption capability for radionuclides and a very small hydraulic conductivity, so that the migration process of solutes is limited by sorption and diffusion processes. Therefore, diffusion and distribution coefficients in compacted bentonite (i.e. in "realistic" liquid to solid ratio conditions) are the main parameters that have to be obtained in order to characterise solute transport that could be produced after the canister breakdown. Through-Diffusion (TD) and In-Diffusion (ID) experiments with HTO, Sr, Cs and Se were carried out using compacted FEBEX bentonite, which is the reference material for the Spanish concept of radioactive waste disposal. Experiments were interpreted by means of available analytical solutions that allow the estimation of diffusion coefficients and, in some cases, distribution coefficients. Analytical solutions are simple to use, but rely on hypotheses that do not hold in all the experiments. These experiments were interpreted also using an automatic parameter estimation code that overcomes the limitations of analytical solutions. Numerical interpretation allows the simultaneous estimation of porosity, diffusion and distribution coefficients, accounts for the role of porous sinters and time-varying boundary concentrations, and can use different types of raw concentration data.

  3. PHAST Version 2-A Program for Simulating Groundwater Flow, Solute Transport, and Multicomponent Geochemical Reactions

    USGS Publications Warehouse

    Parkhurst, David L.; Kipp, Kenneth L.; Charlton, Scott R.

    2010-01-01

    The computer program PHAST (PHREEQC And HST3D) simulates multicomponent, reactive solute transport in three-dimensional saturated groundwater flow systems. PHAST is a versatile groundwater flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. Major enhancements in PHAST Version 2 allow spatial data to be defined in a combination of map and grid coordinate systems, independent of a specific model grid (without node-by-node input). At run time, aquifer properties are interpolated from the spatial data to the model grid; regridding requires only redefinition of the grid without modification of the spatial data. PHAST is applicable to the study of natural and contaminated groundwater systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock/water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, or density-dependent flow. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux (specified-flux), and leaky (head-dependent) conditions, as well as the special cases of rivers, drains, and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association or Pitzer specific interaction thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, ion exchange sites, surface complexation sites, solid solutions, and gases; and

  4. Solute transport and storage mechanisms in wetlands of the Everglades, south Florida

    USGS Publications Warehouse

    Harvey, J.W.; Saiers, J.E.; Newlin, J.T.

    2005-01-01

    Solute transport and storage processes in wetlands play an important role in biogeochemical cycling and in wetland water quality functions. In the wetlands of the Everglades, there are few data or guidelines to characterize transport through the heterogeneous flow environment. Our goal was to conduct a tracer study to help quantify solute exchange between the relatively fast flowing water in the open part of the water column and much more slowly moving water in thick floating vegetation and in the pore water of the underlying peat. We performed a tracer experiment that consisted of a constant-rate injection of a sodium bromide (NaBr) solution for 22 hours into a 3 m wide, open-ended flume channel in Everglades National Park. Arrival of the bromide tracer was monitored at an array of surface water and subsurface samplers for 48 hours at a distance of 6.8 m downstream of the injection. A one-dimensional transport model was used in combination with an optimization code to identify the values of transport parameters that best explained the tracer observations. Parameters included dimensions and mass transfer coefficients describing exchange with both short (hours) and longer (tens of hours) storage zones as well as the average rates of advection and longitudinal dispersion in the open part of the water column (referred to as the "main flow zone"). Comparison with a more detailed set of tracer measurements tested how well the model's storage zones approximated the average characteristics of tracer movement into and out of the layer of thick floating vegetation and the pore water in the underlying peat. The rate at which the relatively fast moving water in the open water column was exchanged with slowly moving water in the layer of floating vegetation and in sediment pore water amounted to 50 and 3% h-1, respectively. Storage processes decreased the depth-averaged velocity of surface water by 50% relative to the water velocity in the open part of the water column. As a

  5. Solute transport modelling in karst conduits with slow zones during different hydrologic conditions

    NASA Astrophysics Data System (ADS)

    Morales, Tomás; Uriarte, Jesus A.; Olazar, Martín; Antigüedad, Iñaki; Angulo, Bárbara

    2010-09-01

    SummaryEight tracer tests conducted under different flow conditions in two well-developed karst connections in the Santa Eufemia-Ereñozar karst unit (Basque Country, northern Spain) are considered for transport characterization. Lithium tracer was injected as an impulse release for obtaining well-defined tracer breakthrough curves (TBCs). In order to simulate curve evolution and obtain transport characteristic parameters, two approaches have been applied: a standard analytical solution and a new numerical one that accounts for transient storage processes. The numerical model simulates the effect of localized variations in conduit geometry that give way to dead zones or slow zones in the transport process. This model fits the experimental curves well and explains their tails mainly by diversion processes from the main flow line towards stagnant zones. An increase in dispersion coefficient values is observed in both conduits as flow rates and average flow velocities increase. Stagnation and tracer transient retention processes, which may be quantified by means of the numerical solution, are more important as circulating flow rates decrease and travel times increase. The diversion processes in the two connections follow a similar evolution, with significant changes in the magnitude of the retentions registered depending on the hydrodynamic state of the traced system. Consequently, there is a clear hydrodynamic-controlled tailing effect.

  6. Effects of Pisha sandstone content on solute transport in a sandy soil.

    PubMed

    Zhen, Qing; Zheng, Jiyong; He, Honghua; Han, Fengpeng; Zhang, Xingchang

    2016-02-01

    In sandy soil, water, nutrients and even pollutants are easily leaching to deeper layers. The objective of this study was to assess the effects of Pisha sandstone on soil solute transport in a sandy soil. The miscible displacement technique was used to obtain breakthrough curves (BTCs) of Br(-) as an inert non-adsorbed tracer and Na(+) as an adsorbed tracer. The incorporation of Pisha sandstone into sandy soil was able to prevent the early breakthrough of both tracers by decreasing the saturated hydraulic conductivity compared to the controlled sandy soil column, and the impeding effects increased with Pisha sandstone content. The BTCs of Br(-) were accurately described by both the convection-dispersion equation (CDE) and the two-region model (T-R), and the T-R model fitted the experimental data slightly better than the CDE. The two-site nonequilibrium model (T-S) accurately fit the Na(+) transport data. Pisha sandstone impeded the breakthrough of Na(+) not only by decreasing the saturated hydraulic conductivity but also by increasing the adsorption capacity of the soil. The measured CEC values of Pisha sandstone were up to 11 times larger than those of the sandy soil. The retardation factors (R) determined by the T-S model increased with increasing Pisha sandstone content, and the partition coefficient (K(d)) showed a similar trend to R. According to the results of this study, Pisha sandstone can successfully impede solute transport in a sandy soil column.

  7. Fuel-mix, fuel efficiency, and transport demand affect prospects for biofuels in northern Europe.

    PubMed

    Bright, Ryan M; Strømman, Anders Hammer

    2010-04-01

    Rising greenhouse gas (GHG) emissions in the road transport sector represents a difficult mitigation challenge due to a multitude of intricate factors, namely the dependency on liquid energy carriers and infrastructure lock-in. For this reason, low-carbon renewable energy carriers, particularly second generation biofuels, are often seen as a prominent candidate for realizing reduced emissions and lowered oil dependency over the medium- and long-term horizons. However, the overarching question is whether advanced biofuels can be an environmentally effective mitigation strategy in the face of increasing consumption and resource constraints. Here we develop both biofuel production and road transport consumption scenarios for northern Europe-a region with a vast surplus of forest bioenergy resources-to assess the potential role that forest-based biofuels may play over the medium- and long-term time horizons using an environmentally extended, multiregion input-output model. Through scenarios, we explore how evolving vehicle technologies and consumption patterns will affect the mitigation opportunities afforded by any future supply of forest biofuels. We find that in a scenario involving ambitious biofuel targets, the size of the GHG mitigation wedge attributed to the market supply of biofuels is severely reduced under business-as-usual growth in consumption in the road transport sector. Our results indicate that climate policies targeting the road transport sector which give high emphases to reducing demand (volume), accelerating the deployment of more fuel-efficient vehicles, and promoting altered consumption patterns (structure) can be significantly more effective than those with single emphasis on expanded biofuel supply. PMID:20163088

  8. Fuel-mix, fuel efficiency, and transport demand affect prospects for biofuels in northern Europe.

    PubMed

    Bright, Ryan M; Strømman, Anders Hammer

    2010-04-01

    Rising greenhouse gas (GHG) emissions in the road transport sector represents a difficult mitigation challenge due to a multitude of intricate factors, namely the dependency on liquid energy carriers and infrastructure lock-in. For this reason, low-carbon renewable energy carriers, particularly second generation biofuels, are often seen as a prominent candidate for realizing reduced emissions and lowered oil dependency over the medium- and long-term horizons. However, the overarching question is whether advanced biofuels can be an environmentally effective mitigation strategy in the face of increasing consumption and resource constraints. Here we develop both biofuel production and road transport consumption scenarios for northern Europe-a region with a vast surplus of forest bioenergy resources-to assess the potential role that forest-based biofuels may play over the medium- and long-term time horizons using an environmentally extended, multiregion input-output model. Through scenarios, we explore how evolving vehicle technologies and consumption patterns will affect the mitigation opportunities afforded by any future supply of forest biofuels. We find that in a scenario involving ambitious biofuel targets, the size of the GHG mitigation wedge attributed to the market supply of biofuels is severely reduced under business-as-usual growth in consumption in the road transport sector. Our results indicate that climate policies targeting the road transport sector which give high emphases to reducing demand (volume), accelerating the deployment of more fuel-efficient vehicles, and promoting altered consumption patterns (structure) can be significantly more effective than those with single emphasis on expanded biofuel supply.

  9. Solution-Processed Metal Oxides as Efficient Carrier Transport Layers for Organic Photovoltaics.

    PubMed

    Choy, Wallace C H; Zhang, Di

    2016-01-27

    Carrier (electron and hole) transport layers (CTLs) are essential components for boosting the performance of various organic optoelectronic devices such as organic solar cells and organic light-emitting diodes. Considering the drawbacks of conventional CTLs (easily oxidized/unstable, demanding/costly fabrication, etc.), transition metal oxides with good carrier transport/extraction and superior stability have drawn extensive research interest as CTLs for next-generation devices. In recent years, many research efforts have been made toward the development of solution-based metal oxide CTLs with the focus on low- or even room-temperature processes, which can potentially be compatible with the deposition processes of organic materials and can significantly contribute to the low-cost and scale-up of organic devices. Here, the recent progress of different types of solution-processed metal oxide CTLs are systematically reviewed in the context of organic photovoltaics, from synthesis approaches to device performance. Different approaches for further enhancing the performance of solution-based metal oxide CTLs are also discussed, which may push the future development of this exciting field.

  10. Simulation of ground-water flow and solute transport in the Glen Canyon aquifer, East-Central Utah

    USGS Publications Warehouse

    Freethey, Geoffrey W.; Stolp, Bernard J.

    2010-01-01

    The extraction of methane from coal beds in the Ferron coal trend in central Utah started in the mid-1980s. Beginning in 1994, water from the extraction process was pressure injected into the Glen Canyon aquifer. The lateral extent of the aquifer that could be affected by injection is about 7,600 square miles. To address regional-scale effects of injection over a decadal time frame, a conceptual model of ground-water movement and transport of dissolved solids was formulated. A numerical model that incorporates aquifer concepts was then constructed and used to simulate injection. The Glen Canyon aquifer within the study area is conceptualized in two parts-an active area of ground-water flow and solute transport that exists between recharge areas in the San Rafael Swell and Desert, Waterpocket Fold, and Henry Mountains and discharge locations along the Muddy, Dirty Devil, San Rafael, and Green Rivers. An area of little or negligible ground-water flow exists north of Price, Utah, and beneath the Wasatch Plateau. Pressurized injection of coal-bed methane production water occurs in this area where dissolved-solids concentrations can be more than 100,000 milligrams per liter. Injection has the potential to increase hydrologic interaction with the active flow area, where dissolved-solids concentrations are generally less than 3,000 milligrams per liter. Pressurized injection of coal-bed methane production water in 1994 initiated a net addition of flow and mass of solutes into the Glen Canyon aquifer. To better understand the regional scale hydrologic interaction between the two areas of the Glen Canyon aquifer, pressurized injection was numerically simulated. Data constraints precluded development of a fully calibrated simulation; instead, an uncalibrated model was constructed that is a plausible representation of the conceptual flow and solute-transport processes. The amount of injected water over the 36-year simulation period is about 25,000 acre-feet. As a result

  11. A lithofacies approach for modeling non-Fickian solute transport in a heterogeneous alluvial aquifer

    NASA Astrophysics Data System (ADS)

    Bianchi, Marco; Zheng, Chunmiao

    2016-01-01

    Stochastic realizations of lithofacies assemblage based on lithological data from a relatively small number of boreholes were used to simulate solute transport at the well-known Macrodispersion Experiment (MADE) site in Mississippi (USA). With sharp vertical contrasts and lateral connectivity explicitly accounted for in the corresponding hydraulic conductivity fields, experimental results from a large-scale tracer experiment were adequately reproduced with a relatively simple model based on advection and local dispersion. The geologically based model of physical heterogeneity shows that one well-interconnected lithofacies, with a significantly higher hydraulic conductivity and accounting for 12% of the total aquifer volume, may be responsible for the observed non-Fickian transport behavior indicated by the asymmetric shape of the plumes and by variations of the dispersion rate in both space and time. This analysis provides a lithological basis to the hypothesis that transport at MADE site is controlled by a network of high-conductivity sediments embedded in a less permeable matrix. It also explains the calibrated value of the ratio of mobile to total porosities used in previous modeling studies based on the dual-domain mass transfer approach. The results of this study underscore the importance of geologically plausible conceptualizations of the subsurface for making accurate predictions of the fate and transport of contaminants in highly heterogeneous aquifers. These conceptualizations may be developed through integration of raw geological data with expert knowledge, interpretation, and appropriate geostatistical methods.

  12. Improved air stability of perovskite solar cells via solution-processed metal oxide transport layers.

    PubMed

    You, Jingbi; Meng, Lei; Song, Tze-Bin; Guo, Tzung-Fang; Yang, Yang Michael; Chang, Wei-Hsuan; Hong, Ziruo; Chen, Huajun; Zhou, Huanping; Chen, Qi; Liu, Yongsheng; De Marco, Nicholas; Yang, Yang

    2016-01-01

    Lead halide perovskite solar cells have recently attracted tremendous attention because of their excellent photovoltaic efficiencies. However, the poor stability of both the perovskite material and the charge transport layers has so far prevented the fabrication of devices that can withstand sustained operation under normal conditions. Here, we report a solution-processed lead halide perovskite solar cell that has p-type NiO(x) and n-type ZnO nanoparticles as hole and electron transport layers, respectively, and shows improved stability against water and oxygen degradation when compared with devices with organic charge transport layers. Our cells have a p-i-n structure (glass/indium tin oxide/NiO(x)/perovskite/ZnO/Al), in which the ZnO layer isolates the perovskite and Al layers, thus preventing degradation. After 60 days storage in air at room temperature, our all-metal-oxide devices retain about 90% of their original efficiency, unlike control devices made with organic transport layers, which undergo a complete degradation after just 5 days. The initial power conversion efficiency of our devices is 14.6 ± 1.5%, with an uncertified maximum value of 16.1%.

  13. Improved air stability of perovskite solar cells via solution-processed metal oxide transport layers

    NASA Astrophysics Data System (ADS)

    You, Jingbi; Meng, Lei; Song, Tze-Bin; Guo, Tzung-Fang; Yang, Yang (Michael); Chang, Wei-Hsuan; Hong, Ziruo; Chen, Huajun; Zhou, Huanping; Chen, Qi; Liu, Yongsheng; De Marco, Nicholas; Yang, Yang

    2016-01-01

    Lead halide perovskite solar cells have recently attracted tremendous attention because of their excellent photovoltaic efficiencies. However, the poor stability of both the perovskite material and the charge transport layers has so far prevented the fabrication of devices that can withstand sustained operation under normal conditions. Here, we report a solution-processed lead halide perovskite solar cell that has p-type NiOx and n-type ZnO nanoparticles as hole and electron transport layers, respectively, and shows improved stability against water and oxygen degradation when compared with devices with organic charge transport layers. Our cells have a p-i-n structure (glass/indium tin oxide/NiOx/perovskite/ZnO/Al), in which the ZnO layer isolates the perovskite and Al layers, thus preventing degradation. After 60 days storage in air at room temperature, our all-metal-oxide devices retain about 90% of their original efficiency, unlike control devices made with organic transport layers, which undergo a complete degradation after just 5 days. The initial power conversion efficiency of our devices is 14.6 ± 1.5%, with an uncertified maximum value of 16.1%.

  14. Identification of Inhibitor Concentrations to Efficiently Screen and Measure Inhibition Ki Values against Solute Carrier Transporters

    PubMed Central

    Zheng, Xiaowan; Polli, James

    2010-01-01

    The objective was to identify inhibitor concentrations to efficiently screen and measure inhibition Ki values of solute carrier (SLC) transporters. The intestinal bile acid transporter and its native substrate taurocholate were used as a model system. Inhibition experiments were conducted using 27 compounds. For each compound, the inhibition constant Ki was obtained from the comprehensive inhibition profile, and referred as the reference Ki. Ki values were also estimated from various partial profiles and were compared to the reference Ki. A screening Ki was estimated from one data point and also compared to the reference Ki. Results indicate that Ki can be accurately measured using an inhibitor concentration range of only 0-Ki via five different inhibitor concentrations. Additionally, a screening concentration of 10-fold the substrate affinity Kt for potent inhibitors (Ki < 20Kt) and 100-fold Kt for nonpotent inhibitors (Ki > 20Kt) provided an accurate Ki estimation. Results were validated through inhibition studies of two other SLC transporters. In conclusion, experimental conditions to screen and measure accurate transporter inhibition constant Ki are suggested where a low range of inhibitor concentrations can be used. This approach is advantageous in that minimal compound is needed to perform studies and accommodates compounds with low aqueous solubility. PMID:20553862

  15. Inhibition of ABC transport proteins by oil sands process affected water.

    PubMed

    Alharbi, Hattan A; Saunders, David M V; Al-Mousa, Ahmed; Alcorn, Jane; Pereira, Alberto S; Martin, Jonathan W; Giesy, John P; Wiseman, Steve B

    2016-01-01

    The ATP-binding cassette (ABC) superfamily of transporter proteins is important for detoxification of xenobiotics. For example, ABC transporters from the multidrug-resistance protein (MRP) subfamily are important for excretion of polycyclic aromatic hydrocarbons (PAHs) and their metabolites. Effects of chemicals in the water soluble organic fraction of relatively fresh oil sands process affected water (OSPW) from Base Mine Lake (BML-OSPW) and aged OSPW from Pond 9 (P9-OSPW) on the activity of MRP transporters were investigated in vivo by use of Japanese medaka at the fry stage of development. Activities of MRPs were monitored by use of the lipophilic dye calcein, which is transported from cells by ABC proteins, including MRPs. To begin to identify chemicals that might inhibit activity of MRPs, BML-OSPW and P9-OSPW were fractionated into acidic, basic, and neutral fractions by use of mixed-mode sorbents. Chemical compositions of fractions were determined by use of ultrahigh resolution orbitrap mass spectrometry in ESI(+) and ESI(-) mode. Greater amounts of calcein were retained in fry exposed to BML-OSPW at concentration equivalents greater than 1× (i.e., full strength). The neutral and basic fractions of BML-OSPW, but not the acidic fraction, caused greater retention of calcein. Exposure to P9-OSPW did not affect the amount of calcein in fry. Neutral and basic fractions of BML-OSPW contained relatively greater amounts of several oxygen-, sulfur, and nitrogen-containing chemical species that might inhibit MRPs, such as O(+), SO(+), and NO(+) chemical species, although secondary fractionation will be required to conclusively identify the most potent inhibitors. Naphthenic acids (O2(-)), which were dominant in the acidic fraction, did not appear to be the cause of the inhibition. This is the first study to demonstrate that chemicals in the water soluble organic fraction of OSPW inhibit activity of this important class of proteins. However, aging of OSPW attenuates

  16. Inhibition of ABC transport proteins by oil sands process affected water.

    PubMed

    Alharbi, Hattan A; Saunders, David M V; Al-Mousa, Ahmed; Alcorn, Jane; Pereira, Alberto S; Martin, Jonathan W; Giesy, John P; Wiseman, Steve B

    2016-01-01

    The ATP-binding cassette (ABC) superfamily of transporter proteins is important for detoxification of xenobiotics. For example, ABC transporters from the multidrug-resistance protein (MRP) subfamily are important for excretion of polycyclic aromatic hydrocarbons (PAHs) and their metabolites. Effects of chemicals in the water soluble organic fraction of relatively fresh oil sands process affected water (OSPW) from Base Mine Lake (BML-OSPW) and aged OSPW from Pond 9 (P9-OSPW) on the activity of MRP transporters were investigated in vivo by use of Japanese medaka at the fry stage of development. Activities of MRPs were monitored by use of the lipophilic dye calcein, which is transported from cells by ABC proteins, including MRPs. To begin to identify chemicals that might inhibit activity of MRPs, BML-OSPW and P9-OSPW were fractionated into acidic, basic, and neutral fractions by use of mixed-mode sorbents. Chemical compositions of fractions were determined by use of ultrahigh resolution orbitrap mass spectrometry in ESI(+) and ESI(-) mode. Greater amounts of calcein were retained in fry exposed to BML-OSPW at concentration equivalents greater than 1× (i.e., full strength). The neutral and basic fractions of BML-OSPW, but not the acidic fraction, caused greater retention of calcein. Exposure to P9-OSPW did not affect the amount of calcein in fry. Neutral and basic fractions of BML-OSPW contained relatively greater amounts of several oxygen-, sulfur, and nitrogen-containing chemical species that might inhibit MRPs, such as O(+), SO(+), and NO(+) chemical species, although secondary fractionation will be required to conclusively identify the most potent inhibitors. Naphthenic acids (O2(-)), which were dominant in the acidic fraction, did not appear to be the cause of the inhibition. This is the first study to demonstrate that chemicals in the water soluble organic fraction of OSPW inhibit activity of this important class of proteins. However, aging of OSPW attenuates

  17. Transport and dosimetric solutions for the ELIMED laser-driven beam line

    NASA Astrophysics Data System (ADS)

    Cirrone, G. A. P.; Romano, F.; Scuderi, V.; Amato, A.; Candiano, G.; Cuttone, G.; Giove, D.; Korn, G.; Krasa, J.; Leanza, R.; Manna, R.; Maggiore, M.; Marchese, V.; Margarone, D.; Milluzzo, G.; Petringa, G.; Sabini, M. G.; Schillaci, F.; Tramontana, A.; Valastro, L.; Velyhan, A.

    2015-10-01

    Within 2017, the ELIMED (ELI-Beamlines MEDical applications) transport beam-line and dosimetric systems for laser-generated beams will be installed at the ELI-Beamlines facility in Prague (CZ), inside the ELIMAIA (ELI Multidisciplinary Applications of laser-Ion Acceleration) interaction room. The beam-line will be composed of two sections: one in vacuum, devoted to the collecting, focusing and energy selection of the primary beam and the second in air, where the ELIMED beam-line dosimetric devices will be located. This paper briefly describes the transport solutions that will be adopted together with the main dosimetric approaches. In particular, the description of an innovative Faraday Cup detector with its preliminary experimental tests will be reported.

  18. Green function solution of the Boltzmann transport equation for semiconducting thin film with rough boundaries

    NASA Astrophysics Data System (ADS)

    Ketenoğlu, D.; Ünal, B.

    2012-08-01

    In this study the Green function solution of the Boltzmann transport equation on semiconducting thin film with irregular walls has been applied for the first time. The effects of electron scattering caused by these irregularities on the electrical conductivity have been investigated. First of all by using coordinate transformations, the irregularities on the walls have been transferred into the volume and in this way the both surfaces have been brought into flat forms. By taking two models, Gaussian and exponential, for random potential energy term contained in the transformed Hamiltonian as the perturbation, the resistivity results have been calculated and compared with the ones obtained from the methods widely known in the literature. The Boltzmann transport equation has been solved in relaxation time approximation for the irregular walled system in the case of no magnetic field.

  19. A modified two-state empirical valence bond model for proton transport in aqueous solutions

    SciTech Connect

    Mabuchi, Takuya; Fukushima, Akinori; Tokumasu, Takashi

    2015-07-07

    A detailed analysis of the proton solvation structure and transport properties in aqueous solutions is performed using classical molecular dynamics simulations. A refined two-state empirical valence bond (aTS-EVB) method, which is based on the EVB model of Walbran and Kornyshev and the anharmonic water force field, is developed in order to describe efficiently excess proton transport via the Grotthuss mechanism. The new aTS-EVB model clearly satisfies the requirement for simpler and faster calculation, because of the simplicity of the two-state EVB algorithm, while providing a better description of diffusive dynamics of the excess proton and water in comparison with the previous two-state EVB models, which significantly improves agreement with the available experimental data. The results of activation energies for the excess proton and water calculated between 300 and 340 K (the temperature range used in this study) are also found to be in good agreement with the corresponding experimental data.

  20. Signature of non-Fickian solute transport in complex heterogeneous porous media.

    PubMed

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

    2011-11-11

    We simulate transport of a solute through three-dimensional images of different rock samples, with resolutions of a few microns, representing geological media of increasing pore-scale complexity: a sandpack, a Berea sandstone, and a Portland limestone. We predict the propagators (concentration as a function of distance) measured on similar cores in nuclear magnetic resonance experiments and the dispersion coefficient as a function of Péclet number and time. The behavior is explained using continuous time random walks with a truncated power-law distribution of travel times: transport is qualitatively different for the complex limestone compared to the sandstone or sandpack, with long tailing, an almost immobile peak concentration, and a very slow approach to asymptotic dispersion.

  1. Statistical and graphical methods for evaluating solute transport models: Overview and application

    NASA Astrophysics Data System (ADS)

    Loague, Keith; Green, Richard E.

    1991-01-01

    Mathematical modeling is the major tool to predict the mobility and the persistence of pollutants to and within groundwater systems. Several comprehensive institutional models have been developed in recent years for this purpose. However, evaluation procedures are not well established for models of saturated-unsaturated soil-water flow and chemical transport. This paper consists of three parts: (1) an overview of various aspects of mathematical modeling focused upon solute transport models; (2) an introduction to statistical criteria and graphical displays that can be useful for model evaluation; and (3) an example of model evaluation for a mathematical model of pesticide leaching. The model testing example uses observed and predicted atrazine concentration profiles from a small catchment in Georgia. The model tested is the EPA pesticide root zone model (PRZM).

  2. A cellular automaton model adapted to sandboxes to simulate the transport of solutes

    NASA Astrophysics Data System (ADS)

    Lora, Boris; Donado, Leonardo; Castro, Eduardo; Bayuelo, Alfredo

    2016-04-01

    The increasingly use of groundwater sources for human consumption and the growth of the levels of these hydric sources contamination make imperative to reach a deeper understanding how the contaminants are transported by the water, in particular through a heterogeneous porous medium. Accordingly, the present research aims to design a model, which simulates the transport of solutes through a heterogeneous porous medium, using cellular automata. Cellular automata (CA) are a class of spatially (pixels) and temporally discrete mathematical systems characterized by local interaction (neighborhoods). The pixel size and the CA neighborhood were determined in order to reproduce accurately the solute behavior (Ilachinski, 2001). For the design and corresponding validation of the CA model were developed different conservative tracer tests using a sandbox packed heterogeneously with a coarse sand (size # 20 grain diameter 0,85 to 0,6 mm) and clay. We use Uranine and a saline solution with NaCl as a tracer which were measured taking snapshots each 20 seconds. A calibration curve (pixel intensity Vs Concentration) was used to obtain concentration maps. The sandbox was constructed of acrylic (caliber 0,8 cms) with 70 x 45 x 4 cms of dimensions. The "sandbox" had a grid of 35 transversal holes with a diameter of 4 mm each and an uniform separation from one to another of 10 cms. To validate the CA-model it was used a metric consisting in rating the number of correctly predicted pixels over the total per image throughout the entire test run. The CA-model shows that calibrations of pixels and neighborhoods allow reaching results over the 60 % of correctly predictions usually. This makes possible to think that the application of the CA- model could be useful in further researches regarding the transport of contaminants in hydrogeology.

  3. Upscaling of solute transport in disordered porous media by wavelet transformations

    NASA Astrophysics Data System (ADS)

    Moslehi, Mahsa; de Barros, Felipe P. J.; Ebrahimi, Fatemeh; Sahimi, Muhammad

    2016-10-01

    Modeling flow and solute transport in large-scale (e.g.) on the order of 103 m heterogeneous porous media involves substantial computational burden. A common approach to alleviate the problem is to utilize an upscaling method that generates models that require less intensive computations. The method must also preserve the important properties of the spatial distribution of the hydraulic conductivity (K) field. We use an upscaling method based on the wavelet transformations (WTs) that coarsens the computational grid based on the spatial distribution of K. The technique is applied to a porous formation with broadly distributed and correlated K values, and the governing equation for solute transport in the formation is solved numerically. The WT upscaling preserves the resolution of the initial highly-resolved computational grid in the high K zones, as well as that of the zones with sharp contrasts between the neighboring K, whereas the low-K zones are averaged out. To demonstrate the accuracy of the method, we simulate fluid flow and nonreactive solute transport in both the high-resolution and upscaled grids, and compare the concentration profiles and the breakthrough times. The results indicate that the WT upscaling of a K field generates non-uniform upscaled grids with a number of grid blocks that on average is about two percent of the number of the blocks in the original high-resolution computational grids, while the concentration profiles, the breakthrough times and the second moment of the concentration distribution, computed for both models, are virtually identical. A systematic parametric study is also carried out in order to investigate the sensitivity of the method to the broadness of the K field, the nature of the correlations in the field (positive versus negative), and the size of the computational grid. As the broadness of the K field and the size of the computational domain increase, better agreement between the results for the high-resolution and

  4. Benchmark Study of 3D Pore-scale Flow and Solute Transport Simulation Methods

    NASA Astrophysics Data System (ADS)

    Scheibe, T. D.; Yang, X.; Mehmani, Y.; Perkins, W. A.; Pasquali, A.; Schoenherr, M.; Kim, K.; Perego, M.; Parks, M. L.; Trask, N.; Balhoff, M.; Richmond, M. C.; Geier, M.; Krafczyk, M.; Luo, L. S.; Tartakovsky, A. M.

    2015-12-01

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

  5. Numerical simulation of fracture permeability evolution due to reactive transport and pressure solution processes

    NASA Astrophysics Data System (ADS)

    Watanabe, N.; Sun, Y.; Taron, J.; Shao, H.; Kolditz, O.

    2013-12-01

    Modeling fracture permeability evolution is of great interest in various geotechnical applications including underground waste repositories, carbon capture and storage, and engineered geothermal systems where fractures dominate transport behaviors. In this study, a numerical model is presented to simulate fracture permeability evolution due to reactive transport and pressure solution processes in single fractures. The model was developed within the international benchmarking project for radioactive waste disposals, DECOVALEX 2015 (Task C1). The model combines bulk behavior in pore spaces with intergranular process at asperity contacts. Hydraulic flow and reactive transport including mineral dissolution and precipitation in fracture pore space are simulated using the Galerkin finite element method. A pressure solution model developed by Taron and Elsworth (2010 JGR) is applied to simulating stress-enhanced dissolution, solute exchange with pore space, and volume removal at grain contacts. Fracture aperture and contact area ratio are updated as a result of the pore-space reaction and intergranular dissolution. In order to increase robustness and time step size, relevant processes are monolithically coupled with the simulations. The model is implemented in a scientific open-source project OpenGeoSys (www.opengeosys.org) for numerical simulation of thermo-hydro-mechanical/chemical processes in porous and fractured media. Numerical results are compared to previous experiment performed by Yasuhara et al. (2006) on flow through fractures in the Arkansas novaculite sample. The novaculite is approximated as pure quartz aggregates. Only with fitted quartz dissolution rate constants and solubility is the current model capable of reproducing observed hydraulic aperture reduction and aqueous silicate concentrations. Future work will examine reaction parameters and further validate the model against experimental results.

  6. Phase-space finite elements in a least-squares solution of the transport equation

    SciTech Connect

    Drumm, C.; Fan, W.; Pautz, S.

    2013-07-01

    The linear Boltzmann transport equation is solved using a least-squares finite element approximation in the space, angular and energy phase-space variables. The method is applied to both neutral particle transport and also to charged particle transport in the presence of an electric field, where the angular and energy derivative terms are handled with the energy/angular finite elements approximation, in a manner analogous to the way the spatial streaming term is handled. For multi-dimensional problems, a novel approach is used for the angular finite elements: mapping the surface of a unit sphere to a two-dimensional planar region and using a meshing tool to generate a mesh. In this manner, much of the spatial finite-elements machinery can be easily adapted to handle the angular variable. The energy variable and the angular variable for one-dimensional problems make use of edge/beam elements, also building upon the spatial finite elements capabilities. The methods described here can make use of either continuous or discontinuous finite elements in space, angle and/or energy, with the use of continuous finite elements resulting in a smaller problem size and the use of discontinuous finite elements resulting in more accurate solutions for certain types of problems. The work described in this paper makes use of continuous finite elements, so that the resulting linear system is symmetric positive definite and can be solved with a highly efficient parallel preconditioned conjugate gradients algorithm. The phase-space finite elements capability has been built into the Sceptre code and applied to several test problems, including a simple one-dimensional problem with an analytic solution available, a two-dimensional problem with an isolated source term, showing how the method essentially eliminates ray effects encountered with discrete ordinates, and a simple one-dimensional charged-particle transport problem in the presence of an electric field. (authors)

  7. Particle Swarm Optimization for inverse modeling of solute transport in fractured gneiss aquifer.

    PubMed

    Abdelaziz, Ramadan; Zambrano-Bigiarini, Mauricio

    2014-08-01

    Particle Swarm Optimization (PSO) has received considerable attention as a global optimization technique from scientists of different disciplines around the world. In this article, we illustrate how to use PSO for inverse modeling of a coupled flow and transport groundwater model (MODFLOW2005-MT3DMS) in a fractured gneiss aquifer. In particular, the hydroPSO R package is used as optimization engine, because it has been specifically designed to calibrate environmental, hydrological and hydrogeological models. In addition, hydroPSO implements the latest Standard Particle Swarm Optimization algorithm (SPSO-2011), with an adaptive random topology and rotational invariance constituting the main advancements over previous PSO versions. A tracer test conducted in the experimental field at TU Bergakademie Freiberg (Germany) is used as case study. A double-porosity approach is used to simulate the solute transport in the fractured Gneiss aquifer. Tracer concentrations obtained with hydroPSO were in good agreement with its corresponding observations, as measured by a high value of the coefficient of determination and a low sum of squared residuals. Several graphical outputs automatically generated by hydroPSO provided useful insights to assess the quality of the calibration results. It was found that hydroPSO required a small number of model runs to reach the region of the global optimum, and it proved to be both an effective and efficient optimization technique to calibrate the movement of solute transport over time in a fractured aquifer. In addition, the parallel feature of hydroPSO allowed to reduce the total computation time used in the inverse modeling process up to an eighth of the total time required without using that feature. This work provides a first attempt to demonstrate the capability and versatility of hydroPSO to work as an optimizer of a coupled flow and transport model for contaminant migration.

  8. Particle Swarm Optimization for inverse modeling of solute transport in fractured gneiss aquifer

    NASA Astrophysics Data System (ADS)

    Abdelaziz, Ramadan; Zambrano-Bigiarini, Mauricio

    2014-08-01

    Particle Swarm Optimization (PSO) has received considerable attention as a global optimization technique from scientists of different disciplines around the world. In this article, we illustrate how to use PSO for inverse modeling of a coupled flow and transport groundwater model (MODFLOW2005-MT3DMS) in a fractured gneiss aquifer. In particular, the hydroPSO R package is used as optimization engine, because it has been specifically designed to calibrate environmental, hydrological and hydrogeological models. In addition, hydroPSO implements the latest Standard Particle Swarm Optimization algorithm (SPSO-2011), with an adaptive random topology and rotational invariance constituting the main advancements over previous PSO versions. A tracer test conducted in the experimental field at TU Bergakademie Freiberg (Germany) is used as case study. A double-porosity approach is used to simulate the solute transport in the fractured Gneiss aquifer. Tracer concentrations obtained with hydroPSO were in good agreement with its corresponding observations, as measured by a high value of the coefficient of determination and a low sum of squared residuals. Several graphical outputs automatically generated by hydroPSO provided useful insights to assess the quality of the calibration results. It was found that hydroPSO required a small number of model runs to reach the region of the global optimum, and it proved to be both an effective and efficient optimization technique to calibrate the movement of solute transport over time in a fractured aquifer. In addition, the parallel feature of hydroPSO allowed to reduce the total computation time used in the inverse modeling process up to an eighth of the total time required without using that feature. This work provides a first attempt to demonstrate the capability and versatility of hydroPSO to work as an optimizer of a coupled flow and transport model for contaminant migration.

  9. Simulation of solute transport in a mountain pool-and-riffle stream: a transient storage model.

    USGS Publications Warehouse

    Bencala, K.E.; Walters, R.A.

    1983-01-01

    A transient storage model, which couples dead zones with the one-dimensional convection-dispersion equation, simulates the general characteristics of the solute transport behavior and a set of simulation parameters were determined that yield an adequate fit to the data. However, considerable uncertainty remains in determining physically realistic values of these parameters. The values of the simulation parameters used are compared to values used by other authors for other streams. The comparison supports, at least qualitatively, the determined parameter values. -from Authors

  10. Generalized semi-analytical solutions to multispecies transport equation coupled with sequential first-order reaction network with spatially or temporally variable transport and decay coefficients

    NASA Astrophysics Data System (ADS)

    Suk, Heejun

    2016-08-01

    This paper presents a semi-analytical procedure for solving coupled the multispecies reactive solute transport equations, with a sequential first-order reaction network on spatially or temporally varying flow velocities and dispersion coefficients involving distinct retardation factors. This proposed approach was developed to overcome the limitation reported by Suk (2013) regarding the identical retardation values for all reactive species, while maintaining the extensive capability of the previous Suk method involving spatially variable or temporally variable coefficients of transport, general initial conditions, and arbitrary temporal variable inlet concentration. The proposed approach sequentially calculates the concentration distributions of each species by employing only the generalized integral transform technique (GITT). Because the proposed solutions for each species' concentration distributions have separable forms in space and time, the solution for subsequent species (daughter species) can be obtained using only the GITT without the decomposition by change-of-variables method imposing the limitation of identical retardation values for all the reactive species by directly substituting solutions for the preceding species (parent species) into the transport equation of subsequent species (daughter species). The proposed solutions were compared with previously published analytical solutions or numerical solutions of the numerical code of the Two-Dimensional Subsurface Flow, Fate and Transport of Microbes and Chemicals (2DFATMIC) in three verification examples. In these examples, the proposed solutions were well matched with previous analytical solutions and the numerical solutions obtained by 2DFATMIC model. A hypothetical single-well push-pull test example and a scale-dependent dispersion example were designed to demonstrate the practical application of the proposed solution to a real field problem.

  11. A conservative, positivity preserving scheme for reactive solute transport problems in moving domains

    NASA Astrophysics Data System (ADS)

    Mabuza, Sibusiso; Kuzmin, Dmitri; Čanić, Sunčica; Bukač, Martina

    2014-11-01

    We study the mathematical models and numerical schemes for reactive transport of a soluble substance in deformable media. The medium is a channel with compliant adsorbing walls. The solutes are dissolved in the fluid flowing through the channel. The fluid, which carries the solutes, is viscous and incompressible. The reactive process is described as a general physico-chemical process taking place on the compliant channel wall. The problem is modeled by a convection-diffusion adsorption-desorption equation in moving domains. We present a conservative, positivity preserving, high resolution ALE-FCT scheme for this problem in the presence of dominant transport processes and wall reactions on the moving wall. A Patankar type time discretization is presented, which provides conservative treatment of nonlinear reactive terms. We establish CFL-type constraints on the time step, and show the mass conservation of the time discretization scheme. Numerical simulations are performed to show validity of the schemes against effective models under various scenarios including linear adsorption-desorption, irreversible wall reaction, infinite adsorption kinetics, and nonlinear Langmuir kinetics. The grid convergence of the numerical scheme is studied for the case of fixed meshes and moving meshes in fixed domains. Finally, we simulate reactive transport in moving domains under linear and nonlinear chemical reactions at the wall, and show that the motion of the compliant channel wall enhances adsorption of the solute from the fluid to the channel wall. Consequences of this result are significant in the area of, e.g., nano-particle cancer drug delivery. Our result shows that periodic excitation of the cancerous tissue using, e.g., ultrasound, may enhance adsorption of cancer drugs carried by nano-particles via the human vasculature. For Taylor dispersion and for other convection dominated flows, numerical schemes for solute transport may lead to undesirable numerical artefacts. These

  12. A systems approach to hemostasis: 3. Thrombus consolidation regulates intrathrombus solute transport and local thrombin activity.

    PubMed

    Stalker, Timothy J; Welsh, John D; Tomaiuolo, Maurizio; Wu, Jie; Colace, Thomas V; Diamond, Scott L; Brass, Lawrence F

    2014-09-11

    Hemostatic thrombi formed after a penetrating injury have a distinctive structure in which a core of highly activated, closely packed platelets is covered by a shell of less-activated, loosely packed platelets. We have shown that differences in intrathrombus molecular transport emerge in parallel with regional differences in platelet packing density and predicted that these differences affect thrombus growth and stability. Here we test that prediction in a mouse vascular injury model. The studies use a novel method for measuring thrombus contraction in vivo and a previously characterized mouse line with a defect in integrin αIIbβ3 outside-in signaling that affects clot retraction ex vivo. The results show that the mutant mice have a defect in thrombus consolidation following vascular injury, resulting in an increase in intrathrombus transport rates and, as predicted by computational modeling, a decrease in thrombin activity and platelet activation in the thrombus core. Collectively, these data (1) demonstrate that in addition to the activation state of individual platelets, the physical properties of the accumulated mass of adherent platelets is critical in determining intrathrombus agonist distribution and platelet activation and (2) define a novel role for integrin signaling in the regulation of intrathrombus transport rates and localization of thrombin activity. PMID:24951426

  13. A solute-binding protein for iron transport in Streptococcus iniae

    PubMed Central

    2010-01-01

    Background Streptococcus iniae (S. iniae) is a major pathogen that causes considerable morbidity and mortality in cultured fish worldwide. The pathogen's ability to adapt to the host affects the extent of infection, hence understanding the mechanisms by which S. iniae overcomes physiological stresses during infection will help to identify potential virulence determinants of streptococcal infection. Grow S. iniae under iron-restricted conditions is one approach for identifying host-specific protein expression. Iron plays an important role in many biological processes but it has low solubility under physiological condition. Many microorganisms have been shown to be able to circumvent this nutritional limitation by forming direct contacts with iron-containing proteins through ATP-binding cassette (ABC) transporters. The ABC transporter superfamilies constitute many different systems that are widespread among living organisms with different functions, such as ligands translocation, mRNA translation, and DNA repair. Results An ABC transporter system, named as mtsABC (metal transport system) was cloned from S. iniae HD-1, and was found to be involved in heme utilization. mtsABC is cotranscribed by three downstream genes, i.e., mtsA, mtsB, and mtsC. In this study, we cloned the first gene of the mtsABC transporter system (mtsA), and purified the corresponding recombinant protein MtsA. The analysis indicated that MtsA is a putative lipoprotein which binds to heme that can serve as an iron source for the microorganism, and is expressed in vivo during Kunming mice infection by S. iniae HD-1. Conclusions This is believed to be the first report on the cloning the ABC transporter lipoprotein from S. iniae genomic DNA. Together, our data suggested that MtsA is associated with heme, and is expressed in vivo during Kunming mice infection by S. iniae HD-1 which indicated that it can be a potential candidate for S. iniae subunit vaccine. PMID:21122131

  14. Characterizing unsaturated solute transport by simultaneous use of dye and bromide

    NASA Astrophysics Data System (ADS)

    Öhrström, P.; Hamed, Y.; Persson, M.; Berndtsson, R.

    2004-04-01

    Variability in solute transport properties in the unsaturated zone is of growing concern due to environmental hazards. By combining dye and salt tracers, a detailed description of the solute transport can be made in both time and space. In this paper, qualitative and quantitative effects of preferential flow were investigated in a sandy loam. The experimental site was equipped with 64 TDR probes. The plot was irrigated with pure water for 12 days to achieve steady state conditions. Then the plot was irrigated with a solution containing a dye tracer and KBr over three days. During the experiment, bromide concentration and soil moisture were measured hourly by the TDR probes. On the day following the last day of irrigation, a trench was dug and 14 vertical slices were excavated and photographed. A Sigma Probe (SP) was used to investigate the bromide concentration in an individual finger. The SP is a new dielectric measuring technique that gives readings of soil solution electrical conductivity. The dye photographs provided visualization of finger flow. Horizontal flow was evident in the E horizon at 0.3-0.4 m depth. Also the bromide concentration was elevated at these depths. The occurrences of high bromide as measured by the SP concentration corresponded fairly well to the dye patterns. The visible lower limit of dye stained soil corresponded to a bromide concentration of 0.10. A comparison between the bromide and dye penetration showed that the retardation factor of the dye as compared to bromide was 1.5. This is within the range reported by other authors and shows that the SP can be a useful tool to investigate the retardation of dyes as compared to bromide.

  15. Demonstrating benthic control of anomalous solute transport: biofilm growth interacts with substrate size.

    NASA Astrophysics Data System (ADS)

    Aubeneau, A. F.; Tank, J. L.; Bolster, D.; Hanrahan, B.

    2014-12-01

    In fluvial systems, biofilms are the main driver of biogeochemical transformations. Biofilms grow on most surfaces in the benthic and hyporheic regions, where they process waterborne solutes. These solutes are transported in the regional flow and their fluxes near the biofilms are controlled by local physical properties, such as head gradients and hydraulic conductivity. These properties are in turn influenced by the growth of the biofilm itself, which can clog porous media and/or develop its own network of porous space. Therefore, the residence time of a solute in proximity to biofilm surfaces, where it can be processed, should be influenced by the properties not only of the physical environment, but by that of the biofilm itself. We hypothesized that the presence of biofilms would increase residence times in the benthic and shallow subsurface regions of the stream bed. We performed controlled experiments in 4 experimental streams at Notre Dame's Linked Experimental Ecosystem Facility (ND-LEEF) to quantify the interaction between substrate and biofilm in controlling anomalous solute transport. Each stream at ND-LEEF had a different substrate configuration: 2 with homogeneous substrate but with different sizes (pea gravel vs. coarse gravel) and 2 with heterogeneous substrate (alternating sections vs. well-mixed reaches). We measured the evolution of the residence time distributions in the streams by injecting rhodamine tracer (RWT) multiple times over the course of a 5 month colonization gradient. Analysis of breakthrough curves demonstrated that in addition to the influence of substrate, biofilm colonization and growth significantly influenced the residence time in the system. Specifically, as biofilms grew, the power-law exponent of the RTD decreased, i.e. the tails of the distributions became heavier, suggesting prolonged retention due to the presence of the biofilms. Although the substrate signature persisted over time, with the coarser gravel bed washing out

  16. Water, solute and heat transport in the soil: the Australian connection

    NASA Astrophysics Data System (ADS)

    Knight, John

    2016-04-01

    The interest of Peter Raats in water, solute and heat transport in the soil has led to scientific and/or personal interactions with several Australian scientists such as John Philip, David Smiles, Greg Davis and John Knight. Along with John Philip and Robin Wooding, Peter was an early user of the Gardner (1958) linearised model of soil water flow, which brought him into competition with John Philip. I will discuss some of Peter's solutions relevant to infiltration from line and point sources, cavities and basins. A visit to Canberra, Australia in the early 1980s led to joint work on soil water flow, and on combined water and solute movement with David Smiles and others. In 1983 Peter was on the PhD committee for Greg Davis at the University of Wollongong, and some of the methods in his thesis 'Mathematical modelling of rate-limiting mechanisms of pyritic oxidation in overburden dumps' were later used by Peter's student Sjoerd van der Zee. David Smiles and Peter wrote a survey article 'Hydrology of swelling clay soils' in 2005. In the last decade Peter has been investigating the history of groundwater and vadose zone hydrology, and recently he and I have been bringing to light the largely forgotten work of Lewis Fry Richardson on finite difference solution of the heat equation, drainage theory, soil physics, and the soil-plant-atmosphere continuum.

  17. Effect of surface charge of immortalized mouse cerebral endothelial cell monolayer on transport of charged solutes.

    PubMed

    Yuan, Wei; Li, Guanglei; Gil, Eun Seok; Lowe, Tao Lu; Fu, Bingmei M

    2010-04-01

    Charge carried by the surface glycocalyx layer (SGL) of the cerebral endothelium has been shown to significantly modulate the permeability of the blood-brain barrier (BBB) to charged solutes in vivo. The cultured monolayer of bEnd3, an immortalized mouse cerebral endothelial cell line, is becoming a popular in vitro BBB model due to its easy growth and maintenance of many BBB characteristics over repeated passages. To test whether the SGL of bEnd3 monolayer carries similar charge as that in the intact BBB and quantify this charge, which can be characterized by the SGL thickness (L(f)) and charge density (C(mf)), we measured the solute permeability of bEnd3 monolayer to neutral solutes and to solutes with similar size but opposite charges: negatively charged alpha-lactalbumin (-11) and positively charged ribonuclease (+3). Combining the measured permeability data with a transport model across the cell monolayer, we predicted the L(f) and the C(mf) of bEnd3 monolayer, which is approximately 160 nm and approximately 25 mEq/L, respectively. We also investigated whether orosomucoid, a plasma glycoprotein modulating the charge of the intact BBB, alters the charge of bEnd3 monolayer. We found that 1 mg/mL orosomucoid would increase SGL charge density of bEnd3 monolayer to approximately 2-fold of its control value.

  18. Effect of surface charge of immortalized mouse cerebral endothelial cell monolayer on transport of charged solutes.

    PubMed

    Yuan, Wei; Li, Guanglei; Gil, Eun Seok; Lowe, Tao Lu; Fu, Bingmei M

    2010-04-01

    Charge carried by the surface glycocalyx layer (SGL) of the cerebral endothelium has been shown to significantly modulate the permeability of the blood-brain barrier (BBB) to charged solutes in vivo. The cultured monolayer of bEnd3, an immortalized mouse cerebral endothelial cell line, is becoming a popular in vitro BBB model due to its easy growth and maintenance of many BBB characteristics over repeated passages. To test whether the SGL of bEnd3 monolayer carries similar charge as that in the intact BBB and quantify this charge, which can be characterized by the SGL thickness (L(f)) and charge density (C(mf)), we measured the solute permeability of bEnd3 monolayer to neutral solutes and to solutes with similar size but opposite charges: negatively charged alpha-lactalbumin (-11) and positively charged ribonuclease (+3). Combining the measured permeability data with a transport model across the cell monolayer, we predicted the L(f) and the C(mf) of bEnd3 monolayer, which is approximately 160 nm and approximately 25 mEq/L, respectively. We also investigated whether orosomucoid, a plasma glycoprotein modulating the charge of the intact BBB, alters the charge of bEnd3 monolayer. We found that 1 mg/mL orosomucoid would increase SGL charge density of bEnd3 monolayer to approximately 2-fold of its control value. PMID:20087768

  19. Transport of ions in mesoporous carbon electrodes during capacitive deionization of high-salinity solutions.

    PubMed

    Sharma, K; Kim, Y-H; Gabitto, J; Mayes, R T; Yiacoumi, S; Bilheux, H Z; Walker, L M H; Dai, S; Tsouris, C

    2015-01-27

    Desalination of high-salinity solutions has been studied using a novel experimental technique and a theoretical model. Neutron imaging has been employed to visualize lithium ions in mesoporous carbon materials, which are used as electrodes in capacitive deionization (CDI) for water desalination. Experiments were conducted with a flow-through CDI cell designed for neutron imaging and with lithium-6 chloride ((6)LiCl) as the electrolyte. Sequences of neutron images have been obtained at a relatively high concentration of (6)LiCl solution to provide information on the transport of ions within the electrodes. A new model that computes the individual ionic concentration profiles inside mesoporous carbon electrodes has been used to simulate the CDI process. Modifications have also been introduced into the simulation model to calculate results at high electrolyte concentrations. Experimental data and simulation results provide insight into why CDI is not effective for desalination of high ionic-strength solutions. The combination of experimental information, obtained through neutron imaging, with the theoretical model will help in the design of CDI devices, which can improve the process for high ionic-strength solutions.

  20. Solution of the within-group multidimensional discrete ordinates transport equations on massively parallel architectures

    NASA Astrophysics Data System (ADS)

    Zerr, Robert Joseph

    2011-12-01

    The integral transport matrix method (ITMM) has been used as the kernel of new parallel solution methods for the discrete ordinates approximation of the within-group neutron transport equation. The ITMM abandons the repetitive mesh sweeps of the traditional source iterations (SI) scheme in favor of constructing stored operators that account for the direct coupling factors among all the cells and between the cells and boundary surfaces. The main goals of this work were to develop the algorithms that construct these operators and employ them in the solution process, determine the most suitable way to parallelize the entire procedure, and evaluate the behavior and performance of the developed methods for increasing number of processes. This project compares the effectiveness of the ITMM with the SI scheme parallelized with the Koch-Baker-Alcouffe (KBA) method. The primary parallel solution method involves a decomposition of the domain into smaller spatial sub-domains, each with their own transport matrices, and coupled together via interface boundary angular fluxes. Each sub-domain has its own set of ITMM operators and represents an independent transport problem. Multiple iterative parallel solution methods have investigated, including parallel block Jacobi (PBJ), parallel red/black Gauss-Seidel (PGS), and parallel GMRES (PGMRES). The fastest observed parallel solution method, PGS, was used in a weak scaling comparison with the PARTISN code. Compared to the state-of-the-art SI-KBA with diffusion synthetic acceleration (DSA), this new method without acceleration/preconditioning is not competitive for any problem parameters considered. The best comparisons occur for problems that are difficult for SI DSA, namely highly scattering and optically thick. SI DSA execution time curves are generally steeper than the PGS ones. However, until further testing is performed it cannot be concluded that SI DSA does not outperform the ITMM with PGS even on several thousand or tens of

  1. Electron transport and energy degradation in the ionosphere: Evaluation of the numerical solution, comparison with laboratory experiments and auroral observations

    NASA Technical Reports Server (NTRS)

    Lummerzheim, D.; Lilensten, J.

    1994-01-01

    Auroral electron transport calculations are a critical part of auroral models. We evaluate a numerical solution to the transport and energy degradation problem. The numerical solution is verified by reproducing simplified problems to which analytic solutions exist, internal self-consistency tests, comparison with laboratory experiments of electron beams penetrating a collision chamber, and by comparison with auroral observations, particularly the emission ratio of the N2 second positive to N2(+) first negative emissions. Our numerical solutions agree with range measurements in collision chambers. The calculated N(2)2P to N2(+)1N emission ratio is independent of the spectral characteristics of the incident electrons, and agrees with the value observed in aurora. Using different sets of energy loss cross sections and different functions to describe the energy distribution of secondary electrons that emerge from ionization collisions, we discuss the uncertainties of the solutions to the electron transport equation resulting from the uncertainties of these input parameters.

  2. Event-based stormwater quality and quantity loadings from elevated urban infrastructure affected by transportation.

    PubMed

    Sansalone, John J; Hird, Jonathan P; Cartledge, Frank K; Tittlebaum, Marty E

    2005-01-01

    Urban-rainfall runoff affected by transportation is a complex matrix of a very wide gradation of particulate matter (< 1 to > 10 000 microm) and dissolved inorganic and organic constituents. Particulate matter transported by rainfall runoff can be a significant vector for many reactive particulate-bound constituents, particularly metal elements. The water quality and hydrology of nine events from a representative elevated section of Interstate 10 (I-10) (eastbound average daily traffic load of 70 400 vehicles) in Baton Rouge, Louisiana, were characterized and compared with respect to the passage of each hydrograph. Residence time on the paved concrete surface was less than 30 minutes for all events. Results indicate that event-mean concentrations (EMCs) of particulate matter as total-suspended solids (TSS) (138 to 561 mg/L) and chemical-oxygen demand (COD) (128 to 1440 mg/L) were greater than those found in untreated municipal wastewater from the same service area. Particulate-matter dissolution and COD partitioned as a function of pH, pavement residence time, and organic content. In general, delivery of mass for aggregate indices, such as particulate matter (measured as TSS) and COD mass, were driven by the hydrology of the event, while concentrations of aggregate-constituent measurements, such as total-dissolved solids (TDS), illustrated an exponential-type decline during the rising limb of the hydrograph. Despite the short residence times, wide solids gradation, partitioning, and complexity of the rainfall-runoff chemistry, conductivity and dissolved solids were strongly correlated. Characterization of the transport and loads of constituents in urban-rainfall runoff, as a function of hydrology, is a necessary first step when considering treatability, structural or nonstructural controls, and mass trading for discharges from paved infrastructure. PMID:16121503

  3. Lactate kinetics of rainbow trout during graded exercise: do catheters affect the cost of transport?

    PubMed

    Teulier, Loïc; Omlin, Teye; Weber, Jean-Michel

    2013-12-15

    Changes in lactate kinetics as a function of exercise intensity have never been measured in an ectotherm. Continuous infusion of a tracer is necessary to quantify rates of lactate appearance (Ra) and disposal (Rd), but it requires double catheterization, which could interfere with swimming. Using rainbow trout, our goals were to: (1) determine the potential effects of catheters and blood sampling on metabolic rate (O2), total cost of transport (TCOT), net cost of transport (NCOT) and critical swimming speed (Ucrit), and (2) monitor changes in lactate fluxes during prolonged, steady-state swimming or graded swimming from rest to Ucrit. This athletic species maintains high baseline lactate fluxes of 24 μmol kg(-1) min(-1) that are only increased at intensities >2.4 body lengths (BL) s(-1) or 85% Ucrit. As the fish reaches Ucrit, Ra is more strongly stimulated (+67% to 40.4 μmol kg(-1) min(-1)) than Rd (+41% to 34.7 μmol kg(-1) min(-1)), causing a fourfold increase in blood lactate concentration. Without this stimulation of Rd during intense swimming, lactate accumulation would double. By contrast, steady-state exercise at 1.7 BL s(-1) increases lactate fluxes to ~30 μmol kg(-1) min(-1), with a trivial mismatch between Ra and Rd that only affects blood concentration minimally. Results also show that the catheterizations and blood sampling needed to measure metabolite kinetics in exercising fish have no significant impact on O2 or TCOT. However, these experimental procedures affect locomotion energetics by increasing NCOT at high speeds and by decreasing Ucrit.

  4. Aquaporin-9 and urea transporter-A gene deletions affect urea transmembrane passage in murine hepatocytes.

    PubMed

    Jelen, Sabina; Gena, Patrizia; Lebeck, Janne; Rojek, Aleksandra; Praetorius, Jeppe; Frøkiaer, Jørgen; Fenton, Robert A; Nielsen, Søren; Calamita, Giuseppe; Rützler, Michael

    2012-12-01

    In mammals, the majority of nitrogen from protein degradation is disposed of as urea. Several studies have partly characterized expression of urea transporters (UTs) in hepatocytes, where urea is produced. Nevertheless, the contribution of these proteins to hepatocyte urea permeability (P(urea)) and their role in liver physiology remains unknown. The purpose of this study was to biophysically examine hepatocyte urea transport. We hypothesized that the water, glycerol, and urea channel aquaporin-9 (AQP9) is involved in hepatocyte urea release. Stopped-flow light-scattering measurements determined that the urea channel inhibitors phloretin and dimethylurea reduced urea permeability of hepatocyte basolateral membranes by 70 and 40%, respectively. In basolateral membranes isolated from AQP9(-/-) and UT-A1/3(-/-) single-knockout and AQP9(-/-):UT-A1/3(-/-) double-knockout mice, P(urea) was decreased by 30, 40, and 76%, respectively, compared with AQP9(+/-):UT-A1/3(+/-) mice. However, expression analysis by RT-PCR did not identify known UT-A transcripts in liver. High-protein diet followed by 24-h fasting affected the concentrations of urea and ammonium ions in AQP9(-/-) mouse liver and plasma without generating an apparent tissue-to-plasma urea gradient. We conclude that AQP9 and unidentified UT-A urea channels constitute primary but redundant urea facilitators in murine hepatocytes.

  5. Exploring Factors Affecting Emergency Medical Services Staffs' Decision about Transporting Medical Patients to Medical Facilities

    PubMed Central

    Seyedin, Hesam; Jamshidi-Orak, Roohangiz

    2014-01-01

    Transfer of patients in medical emergency situations is one of the most important missions of emergency medical service (EMS) staffs. So this study was performed to explore affecting factors in EMS staffs' decision during transporting of patients in medical situations to medical facilities. The participants in this qualitative study consisted of 18 EMS staffs working in prehospital care facilities in Tehran, Iran. Data were gathered through semistructured interviews. The data were analyzed using a content analysis approach. The data analysis revealed the following theme: “degree of perceived risk in EMS staffs and their patients.” This theme consisted of two main categories: (1) patient's condition' and (2) the context of the EMS mission'. The patent's condition category emerged from “physical health statuses,” “socioeconomic statuses,” and “cultural background” subcategories. The context of the EMS mission also emerged from two subcategories of “characteristics of the mission” and EMS staffs characteristics'. EMS system managers can consider adequate technical, informational, financial, educational, and emotional supports to facilitate the decision making of their staffs. Also, development of an effective and user-friendly checklist and scoring system was recommended for quick and easy recognition of patients' needs for transportation in a prehospital situation. PMID:24891953

  6. Factors affecting pesticide occurrence and transport in a large Midwestern river basin

    USGS Publications Warehouse

    Crawford, Charles G.

    2001-01-01

    Several factors affect the occurrence and transport of pesticides in surface waters of the 29,400 km2 White River Basin in Indiana. A relationship was found between pesticide use and the average annual concentration of that pesticide in the White River, although this relationship varies for different classes of pesticides. About one percent of the mass applied of each of the commonly used agricultural herbicides was transported from the basin via the White River. Peak pesticide concentrations were typically highest in late spring or early summer and were associated with periods of runoff following application. Concentrations of diazinon were higher in an urban basin than in two agricultural basins, corresponding to the common use of this insecticide on lawns and gardens in urban areas. Concentrations of atrazine, a corn herbicide widely used in the White River Basin, were higher in an agricultural basin with permeable, well-drained soils, than in an agricultural basin with less permeable, more poorly drained soils. Although use of butylate and cyanazine was comparable in the White River Basin between 1992 and 1994, concentrations in the White River of butylate, which is incorporated into soil, were substantially less than for cyanazine, which is typically applied to the soil surface.

  7. The major facilitative folate transporters solute carrier 19A1 and solute carrier 46A1: biology and role in antifolate chemotherapy of cancer.

    PubMed

    Matherly, Larry H; Wilson, Mike R; Hou, Zhanjun

    2014-04-01

    This review summarizes the biology of the major facilitative membrane transporters, the reduced folate carrier (RFC) (Solute Carrier 19A1) and the proton-coupled folate transporter (PCFT) (Solute Carrier 46A1). Folates are essential vitamins, and folate deficiency contributes to a variety of health disorders. RFC is ubiquitously expressed and is the major folate transporter in mammalian cells and tissues. PCFT mediates the intestinal absorption of dietary folates and appears to be important for transport of folates into the central nervous system. Clinically relevant antifolates for cancer, such as methotrexate and pralatrexate, are transported by RFC, and loss of RFC transport is an important mechanism of methotrexate resistance in cancer cell lines and in patients. PCFT is expressed in human tumors, and is active at pH conditions associated with the tumor microenvironment. Pemetrexed is an excellent substrate for both RFC and PCFT. Novel tumor-targeted antifolates related to pemetrexed with selective membrane transport by PCFT over RFC are being developed. In recent years, there have been major advances in understanding the structural and functional properties and the regulation of RFC and PCFT. The molecular bases for methotrexate resistance associated with loss of RFC transport and for hereditary folate malabsorption, attributable to mutant PCFT, were determined. Future studies should continue to translate molecular insights from basic studies of RFC and PCFT biology into new therapeutic strategies for cancer and other diseases.

  8. The Major Facilitative Folate Transporters Solute Carrier 19A1 and Solute Carrier 46A1: Biology and Role in Antifolate Chemotherapy of Cancer

    PubMed Central

    Wilson, Mike R.; Hou, Zhanjun

    2014-01-01

    This review summarizes the biology of the major facilitative membrane transporters, the reduced folate carrier (RFC) (Solute Carrier 19A1) and the proton-coupled folate transporter (PCFT) (Solute Carrier 46A1). Folates are essential vitamins, and folate deficiency contributes to a variety of health disorders. RFC is ubiquitously expressed and is the major folate transporter in mammalian cells and tissues. PCFT mediates the intestinal absorption of dietary folates and appears to be important for transport of folates into the central nervous system. Clinically relevant antifolates for cancer, such as methotrexate and pralatrexate, are transported by RFC, and loss of RFC transport is an important mechanism of methotrexate resistance in cancer cell lines and in patients. PCFT is expressed in human tumors, and is active at pH conditions associated with the tumor microenvironment. Pemetrexed is an excellent substrate for both RFC and PCFT. Novel tumor-targeted antifolates related to pemetrexed with selective membrane transport by PCFT over RFC are being developed. In recent years, there have been major advances in understanding the structural and functional properties and the regulation of RFC and PCFT. The molecular bases for methotrexate resistance associated with loss of RFC transport and for hereditary folate malabsorption, attributable to mutant PCFT, were determined. Future studies should continue to translate molecular insights from basic studies of RFC and PCFT biology into new therapeutic strategies for cancer and other diseases. PMID:24396145

  9. Using groundwater age distributions to estimate the effective parameters of Fickian and non-Fickian models of solute transport

    PubMed Central

    Engdahl, Nicholas B.; Ginn, Timothy R.; Fogg, Graham E.

    2015-01-01

    Groundwater age distributions are used to estimate the parameters of Fickian, and non-Fickian, effective models of solute transport. Based on the similarities between the transport and age equations, we develop a deconvolution based approach that describes transport between two monitoring wells. We show that the proposed method gives exact estimates of the travel time distribution between two wells when the domain is stationary and that the method still provides useful information on transport when the domain is non-stationary. The method is demonstrated using idealized uniform and layered 2-D aquifers. Homogeneous transport is determined exactly and non-Fickian transport in a layered aquifer was also approximated very well, even though this example problem is shown to be scale-dependent. This work introduces a method that addresses a significant limitation of tracer tests and non-Fickian transport modeling which is the difficulty in determining the effective parameters of the transport model. PMID:25821342

  10. Validation of a Fluid–Structure Interaction Model of Solute Transport in Pores of Cyclically Deformed Tissue Scaffolds

    PubMed Central

    Op Den Buijs, Jorn; Ritman, Erik L.

    2010-01-01

    Convection induced by repetitive compression of porous tissue scaffolds enhances solute transport inside the scaffold. Our previous experiments have shown that pore size, shape, and orientation with respect to strain direction greatly influence loading-induced solute transport. The objective of this study was to develop a computational model of deformation-induced solute transport in porous tissue scaffolds, which included the pore geometry of the scaffold. This geometry consisted of a cubic scaffold with single channel in the middle of the scaffold, immersed in a fluid reservoir. Cylindrical pores with circular or elliptic cross section, and spheroid pores were modeled. The scaffold was cyclically compressed from one side, causing fluid motion and dispersion of solute inside the scaffold pore. Scaffold deformation was solved using the finite element method, and fluid flow and solute transport were solved using the finite volume method. The distortion of the scaffold–fluid interface was transferred as a boundary condition to the fluid flow solver. Both convection and diffusion were included in the computations. The solute transport rates in the different scaffold pore geometries agreed well with our previous experimental results obtained with X-ray microimaging. This model will be used to explore transport properties of a spectrum of novel scaffold designs. PMID:20136371

  11. Specific transport and storage solutions : waste management facing current and future stakes of the nuclear fuel cycle

    SciTech Connect

    Choho, T.; Blachet, L.; Deniau, H.; Gagner, L.; Gendreau, F.; Presta, A.

    2007-07-01

    With major projects ongoing or being planned, and also with the daily management of radioactive waste from nuclear facilities, the role of transport and/or storage packaging has been often overlooked. Indeed, the packaging development process and transport solutions implemented are a key part of the waste management challenge : protection of people and of the environment. During over four decades, the AREVA Group has developed a complete and coherent system for the transport of waste produced by nuclear industries. The transport solutions integrate the factors to consider, as industrial transportation needs, various waste forms, associated hazards and current regulations. Thus, TN International has designed, licensed and manufactured a large number of different transport, storage and dual purpose cask models for residues and all kinds of radioactive wastes. The present paper proposes to illustrate how a company acting both as a cask designer and a carrier is key to the waste management issue and how it can support the waste management policy of nuclear waste producers through their operational choices. We will focus on the TN International technical solutions implemented to guarantee safe and secure transportation and storage solutions. We will describe different aspects of the cask design process, insisting on how it enables to fulfil both customer needs and regulation requirements. We will also mention the associated services developed by the AREVA Business Unit Logistics (TN International, TRANSNUCLEAR, MAINCO, and LMC) in order to manage transportation of liquid and solid waste towards interim or final storage sites. (authors)

  12. Field-scale experiments of unsaturated flow and solute transport in a heterogeneous porous medium

    NASA Astrophysics Data System (ADS)

    Nichol, Craig; Smith, Leslie; Beckie, Roger

    2005-05-01

    A multiyear flow and conservative tracer test has been carried out in unsaturated mine waste rock to examine the physical mechanisms by which water moves through this coarse, heterogeneous, granular material. The experimental system has a footprint of 8 m × 8 m, is 5 m high, and is built on a contiguous grid of 16 zero-tension lysimeters. A chloride tracer was applied during a single rainfall event. Subsequently, the system has been subject to both natural and applied rainfall events in which no further tracer was added. Water flow and tracer transport is monitored using in situ measurements of moisture content, matric suction, and soil water solution samplers. Results demonstrate for transient infiltration conditions the influence and interaction of matrix flow in a heterogeneous granular matrix, preferential flow in macropores, and noncapillary pathways. Tracer migration through preferential flow paths dominates the initial and peak breakthrough concentrations. Point measurements of tracer concentration from in situ solution samplers yield a relatively poor indication of the flux-averaged transport of mass that is recorded at the base of the experiment, in addition to overestimating the stored mass and underestimating residence time.

  13. Solute and heat transport model of the Henry and hilleke laboratory experiment.

    PubMed

    Langevin, Christian D; Dausman, Alyssa M; Sukop, Michael C

    2010-01-01

    SEAWAT is a coupled version of MODFLOW and MT3DMS designed to simulate variable-density ground water flow and solute transport. The most recent version of SEAWAT, called SEAWAT Version 4, includes new capabilities to represent simultaneous multispecies solute and heat transport. To test the new features in SEAWAT, the laboratory experiment of Henry and Hilleke (1972) was simulated. Henry and Hilleke used warm fresh water to recharge a large sand-filled glass tank. A cold salt water boundary was represented on one side. Adjustable heating pads were used to heat the bottom and left sides of the tank. In the laboratory experiment, Henry and Hilleke observed both salt water and fresh water flow systems separated by a narrow transition zone. After minor tuning of several input parameters with a parameter estimation program, results from the SEAWAT simulation show good agreement with the experiment. SEAWAT results suggest that heat loss to the room was more than expected by Henry and Hilleke, and that multiple thermal convection cells are the likely cause of the widened transition zone near the hot end of the tank. Other computer programs with similar capabilities may benefit from benchmark testing with the Henry and Hilleke laboratory experiment. PMID:19563419

  14. Solute and heat transport model of the Henry and Hilleke laboratory experiment

    USGS Publications Warehouse

    Langevin, C.D.; Dausman, A.M.; Sukop, M.C.

    2010-01-01

    SEAWAT is a coupled version of MODFLOW and MT3DMS designed to simulate variable-density ground water flow and solute transport. The most recent version of SEAWAT, called SEAWAT Version 4, includes new capabilities to represent simultaneous multispecies solute and heat transport. To test the new features in SEAWAT, the laboratory experiment of Henry and Hilleke (1972) was simulated. Henry and Hilleke used warm fresh water to recharge a large sand-filled glass tank. A cold salt water boundary was represented on one side. Adjustable heating pads were used to heat the bottom and left sides of the tank. In the laboratory experiment, Henry and Hilleke observed both salt water and fresh water flow systems separated by a narrow transition zone. After minor tuning of several input parameters with a parameter estimation program, results from the SEAWAT simulation show good agreement with the experiment. SEAWAT results suggest that heat loss to the room was more than expected by Henry and Hilleke, and that multiple thermal convection cells are the likely cause of the widened transition zone near the hot end of the tank. Other computer programs with similar capabilities may benefit from benchmark testing with the Henry and Hilleke laboratory experiment. Journal Compilation ?? 2009 National Ground Water Association.

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

    NASA Astrophysics Data System (ADS)

    Guzman, Christian; Hoyos Villada, Fanny; Morales Vargas, Amalia; Rivera, Baudelino; Da Silva, Mayesse; Moreno Padilla, Pedro; Steenhuis, Tammo

    2015-04-01

    Sediment samples and solute concentrations were measured from the La Vega micro watershed in the southwestern region of the Colombian Andes. A main goal of this study was to improve prediction of soil surface and soil nutrient changes, based on field measurements, within small basin of the Aguaclara watershed network receiving different types of conservation measures. Two modeling approaches for stream discharge and sediment transport predictions were used with one of these based on infiltration-excess and the other on saturation-excess runoff. These streams are a part of a recent initiative from a water fund established by Asobolo, Asocaña, and Cenicaña in collaboration with the Natural Capital Project to improve conservation efforts and monitor their effects. On-site soil depth changes, groundwater depth measurements, and soil nutrient concentrations were also monitored to provide more information about changes within this mountainous watershed during one part of the yearly rainy season. This information is being coupled closely with the outlet sediment concentration and solute concentration patterns to discern correlations between scales. Lateral transects in the upper, middle, and lower part of the hillsides in the La Vega micro watershed showed differences in soil nutrient status and soil surface depth changes. The model based on saturation-excess, semi-distributed hydrology was able to reproduce discharge and sediment transport rates as well as the initially used infiltration excess model indicating available options for comparison of conservation changes in the future.

  16. Solution and Study of the Two-Dimensional Nodal Neutron Transport Equation

    SciTech Connect

    Panta Pazos, Ruben; Biasotto Hauser, Eliete; Tullio de Vilhena, Marco

    2002-07-01

    In the last decade Vilhena and coworkers reported an analytical solution to the two-dimensional nodal discrete-ordinates approximations of the neutron transport equation in a convex domain. The key feature of these works was the application of the combined collocation method of the angular variable and nodal approach in the spatial variables. By nodal approach we mean the transverse integration of the SN equations. This procedure leads to a set of one-dimensional S{sub N} equations for the average angular fluxes in the variables x and y. These equations were solved by the old version of the LTS{sub N} method, which consists in the application of the Laplace transform to the set of nodal S{sub N} equations and solution of the resulting linear system by symbolic computation. It is important to recall that this procedure allow us to increase N the order of S{sub N} up to 16. To overcome this drawback we step forward performing a spectral painstaking analysis of the nodal S{sub N} equations for N up to 16 and we begin the convergence of the S{sub N} nodal equations defining an error for the angular flux and estimating the error in terms of the truncation error of the quadrature approximations of the integral term. Furthermore, we compare numerical results of this approach with those of other techniques used to solve the two-dimensional discrete approximations of the neutron transport equation. (authors)

  17. An Integrated Numerical Hydrodynamic Shallow Flow-Solute Transport Model for Urban Area

    NASA Astrophysics Data System (ADS)

    Alias, N. A.; Mohd Sidek, L.

    2016-03-01

    The rapidly changing on land profiles in the some urban areas in Malaysia led to the increasing of flood risk. Extensive developments on densely populated area and urbanization worsen the flood scenario. An early warning system is really important and the popular method is by numerically simulating the river and flood flows. There are lots of two-dimensional (2D) flood model predicting the flood level but in some circumstances, still it is difficult to resolve the river reach in a 2D manner. A systematic early warning system requires a precisely prediction of flow depth. Hence a reliable one-dimensional (1D) model that provides accurate description of the flow is essential. Research also aims to resolve some of raised issues such as the fate of pollutant in river reach by developing the integrated hydrodynamic shallow flow-solute transport model. Presented in this paper are results on flow prediction for Sungai Penchala and the convection-diffusion of solute transports simulated by the developed model.

  18. Analysis of solute transport in flow fields influenced by preferential flowpaths at the decimeter scale.

    PubMed

    Zheng, Chunmiao; Gorelick, Steven M

    2003-01-01

    Several recent studies at the Macrodispersion Experiment (MADE) site in Columbus, Mississippi, have indicated that the relative preferential flowpaths and flow barriers resulting from decimeter-scale aquifer heterogeneities appear to have a dominant effect on plume-scale solute transport. Numerical experiments are thus conducted in this study to explore the key characteristics of solute transport in two-dimensional flow fields influenced by decimeter-scale preferential flowpaths. A hypothetical but geologically plausible network of 10 cm wide channels of high hydraulic conductivity is used to represent the relative preferential flowpaths embedded in an otherwise homogeneous aquifer. When the hydraulic conductivity in the channels is 100 times greater than that in the remaining portion of the aquifer, the calculated concentration distributions under three source configurations all exhibit highly asymmetrical, non-Gaussian patterns. These patterns, with peak concentrations close to the source and extensive spreading downgradient, resemble that observed at the MADE site tracer tests. When the contrast between the channel and nonchannel hydraulic conductivities is reduced to 30:1 from 100:1, the calculated mass distribution curve starts to approach a Gaussian one with the peak concentration near the central portion of the plume. Additional analysis based on a field-scale model demonstrates that the existence of decimeter-scale preferential flowpaths can have potentially far-reaching implications for ground water remediation. Failure to account for them in numerical simulation could lead to overestimation of the effectiveness of the remedial measure under consideration.

  19. Large-scale modeling of reactive solute transport in fracture zones of granitic bedrocks.

    PubMed

    Molinero, Jorge; Samper, Javier

    2006-01-10

    Final disposal of high-level radioactive waste in deep repositories located in fractured granite formations is being considered by several countries. The assessment of the safety of such repositories requires using numerical models of groundwater flow, solute transport and chemical processes. These models are being developed from data and knowledge gained from in situ experiments such as the Redox Zone Experiment carried out at the underground laboratory of Aspö in Sweden. This experiment aimed at evaluating the effects of the construction of the access tunnel on the hydrogeological and hydrochemical conditions of a fracture zone intersected by the tunnel. Most chemical species showed dilution trends except for bicarbonate and sulphate which unexpectedly increased with time. Molinero and Samper [Molinero, J. and Samper, J. Groundwater flow and solute transport in fracture zones: an improved model for a large-scale field experiment at Aspö (Sweden). J. Hydraul. Res., 42, Extra Issue, 157-172] presented a two-dimensional water flow and solute transport finite element model which reproduced measured drawdowns and dilution curves of conservative species. Here we extend their model by using a reactive transport which accounts for aqueous complexation, acid-base, redox processes, dissolution-precipitation of calcite, quartz, hematite and pyrite, and cation exchange between Na+ and Ca2+. The model provides field-scale estimates of cation exchange capacity of the fracture zone and redox potential of groundwater recharge. It serves also to identify the mineral phases controlling the solubility of iron. In addition, the model is useful to test the relevance of several geochemical processes. Model results rule out calcite dissolution as the process causing the increase in bicarbonate concentration and reject the following possible sources of sulphate: (1) pyrite dissolution, (2) leaching of alkaline sulphate-rich waters from a nearby rock landfill and (3) dissolution of

  20. 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

  1. Ssh4, Rcr2 and Rcr1 affect plasma membrane transporter activity in Saccharomyces cerevisiae.

    PubMed

    Kota, Jhansi; Melin-Larsson, Monika; Ljungdahl, Per O; Forsberg, Hanna

    2007-04-01

    Nutrient uptake in the yeast Saccharomyces cerevisiae is a highly regulated process. Cells adjust levels of nutrient transporters within the plasma membrane at multiple stages of the secretory and endosomal pathways. In the absence of the ER-membrane-localized chaperone Shr3, amino acid permeases (AAP) inefficiently fold and are largely retained in the ER. Consequently, shr3 null mutants exhibit greatly reduced rates of amino acid uptake due to lower levels of AAPs in their plasma membranes. To further our understanding of mechanisms affecting AAP localization, we identified SSH4 and RCR2 as high-copy suppressors of shr3 null mutations. The overexpression of SSH4, RCR2, or the RCR2 homolog RCR1 increases steady-state AAP levels, whereas the genetic inactivation of these genes reduces steady-state AAP levels. Additionally, the overexpression of any of these suppressor genes exerts a positive effect on phosphate and uracil uptake systems. Ssh4 and Rcr2 primarily localize to structures associated with the vacuole; however, Rcr2 also localizes to endosome-like vesicles. Our findings are consistent with a model in which Ssh4, Rcr2, and presumably Rcr1, function within the endosome-vacuole trafficking pathway, where they affect events that determine whether plasma membrane proteins are degraded or routed to the plasma membrane.

  2. Aging differentially affects human skeletal muscle amino acid transporter expression when essential amino acids are ingested after exercise

    PubMed Central

    Dickinson, Jared M.; Drummond, Micah J.; Coben, Jennifer R.; Volpi, Elena; Rasmussen, Blake B.

    2012-01-01

    Background & Aims Amino acid transporters have been proposed as regulators of protein synthesis. The primary aim of this study was to determine whether amino acid transporter expression is increased in human muscle following resistance exercise (RE) coupled with essential amino acid (EAA) ingestion, and whether a differential response occurs with aging. Secondly, we aimed to compare this response to a previous study examining RE alone. Methods Young (n=7, 30±2yr) and older men (n=6, 70±2yr) ingested EAA 1h after RE. Muscle biopsies were obtained at rest and 3 and 6h postexercise to examine amino acid transporter mRNA and protein expression. Results In both age groups, RE+EAA increased mRNA of L-type amino acid transporter 1 (LAT1)/solute linked carrier (SLC)7A5, sodium-coupled neutral amino acid transporter 2 (SNAT2)/SLC38A2, and cationic amino acid transporter 1/SLC7A1 (p<0.05). SNAT2 protein increased in young at 3 and 6h (p<0.05), whereas old maintained higher LAT1 protein (p<0.05). Compared to RE alone, RE+EAA enhanced amino acid transporter expression only in young (p<0.05). Conclusions RE increases muscle amino acid transporter expression in young and older adults, however, postexercise EAA ingestion enhances amino acid transporter expression only in young indicating that aging may influence the function of specific amino acid transporters. PMID:22889597

  3. Switch-Loop Flexibility Affects Transport of Large Drugs by the Promiscuous AcrB Multidrug Efflux Transporter

    PubMed Central

    Cha, Hi-jea; Müller, Reinke T.

    2014-01-01

    Multidrug efflux transporters recognize a variety of structurally unrelated compounds for which the molecular basis is poorly understood. For the resistance nodulation and cell division (RND) inner membrane component AcrB of the AcrAB-TolC multidrug efflux system from Escherichia coli, drug binding occurs at the access and deep binding pockets. These two binding areas are separated by an 11-amino-acid-residue-containing switch loop whose conformational flexibility is speculated to be essential for drug binding and transport. A G616N substitution in the switch loop has a distinct and local effect on the orientation of the loop and on the ability to transport larger drugs. Here, we report a distinct phenotypical pattern of drug recognition and transport for the G616N variant, indicating that drug substrates with minimal projection areas of >70 Å2 are less well transported than other substrates. PMID:24914123

  4. Composite versus single transportable carbohydrate solution enhances race and laboratory cycling performance.

    PubMed

    Rowlands, David S; Swift, Marilla; Ros, Marjolein; Green, Jackson G

    2012-06-01

    When ingested at high rates (1.8-2.4 g·min(-1)) in concentrated solutions, carbohydrates absorbed by multiple (e.g., fructose and glucose) vs. single intestinal transporters can increase exogenous carbohydrate oxidation and endurance performance, but their effect when ingested at lower, more realistic, rates during intermittent high-intensity endurance competition and trials is unknown. Trained cyclists participated in two independent randomized crossover investigations comprising mountain-bike races (average 141 min; n = 10) and laboratory trials (94-min high-intensity intervals followed by 10 maximal sprints; n = 16). Solutions ingested during exercise contained electrolytes and fructose + maltodextrin or glucose + maltodextrin in 1:2 ratio ingested, on average, at 1.2 g carbohydrate·kg(-1)·h(-1). Exertion, muscle fatigue, and gastrointestinal discomfort were recorded. Data were analysed using mixed models with gastrointestinal discomfort as a mechanism covariate; inferences were made against substantiveness thresholds (1.2% for performance) and standardized difference. The fructose-maltodextrin solution substantially reduced race time (-1.8%; 90% confidence interval = ±1.8%) and abdominal cramps (-8.1 on a 0-100 scale; ±6.6). After accounting for gastrointestinal discomfort, the effect of the fructose-maltodextrin solution on lap time was reduced (-1.1%; ±2.4%), suggesting that gastrointestinal discomfort explained part of the effect of fructose-maltodextrin on performance. In the laboratory, mean sprint power was enhanced (1.4%; ±0.8%) with fructose-maltodextrin, but the effect on peak power was unclear (0.7%; ±1.5%). Adjusting out gastrointestinal discomfort augmented the fructose-maltodextrin effect on mean (2.6%; ±1.9%) and peak (2.5%; ±3.0%) power. Ingestion of multiple transportable vs. single transportable carbohydrates enhanced mountain-bike race and high-intensity laboratory cycling performance, with inconsistent but not irreconcilable effects

  5. Determining rates of chemical weathering in soils - Solute transport versus profile evolution

    USGS Publications Warehouse

    Stonestrom, D.A.; White, A.F.; Akstin, K.C.

    1998-01-01

    SiO2 fluxes associated with contemporary solute transport in three deeply weathered granitoid profiles are compared to bulk SiO2 losses that have occurred during regolith development. Climates at the three profiles range from Mediterranean to humid to tropical. Due to shallow impeding alluvial layers at two of the profiles, and seasonally uniform rainfall at the third, temporal variations in hydraulic and chemical state variables are largely attenuated below depths of 1-2 m. This allows current SiO2 fluxes below the zone of seasonal variations to be estimated from pore-water concentrations and average hydraulic flux densities. Mean-annual SiO2 concentrations were 0.1-1.5 mM. Hydraulic conductivities for the investigated range of soil-moisture saturations ranged from 10-6 m s-1. Estimated hydraulic flux densities for quasi-steady portions of the profiles varied from 6 x 10-9 to 14 x 10-9 m s-1 based on Darcy's law and field measurements of moisture saturations and pressure heads. Corresponding fluid-residence times in the profiles ranged from 10 to 44 years. Total SiO2 losses, based on chemical and volumetric changes in the respective profiles, ranged from 19 to 110 kmoles SiO2 m-2 of land surface as a result of 0.2-0.4 Ma of chemical weathering. Extrapolation of contemporary solute fluxes to comparable time periods reproduced these SiO2 losses to about an order of magnitude. Despite the large range and non-linearity of measured hydraulic conductivities, solute transport rates in weathering regoliths can be estimated from characterization of hydrologic conditions at sufficiently large depths. The agreement suggests that current weathering rates are representative of long-term average weathering rates in the regoliths.SiO2 fluxes associated with contemporary solute transport in three deeply weathered granitoid profiles are compared to bulk SiO2 losses during regolith development. Due to shallow impeding alluvial layers at two of the profiles, and seasonally uniform

  6. Analytical solution for multi-species contaminant transport in finite media with time-varying boundary conditions

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Most analytical solutions available for the equations governing the advective-dispersive transport of multiple solutes undergoing sequential first-order decay reactions have been developed for infinite or semi-infinite spatial domains and steady-state boundary conditions. In this work we present an ...

  7. Coupled turbulent flow, heat, and solute transport in continuous casting processes

    NASA Astrophysics Data System (ADS)

    Aboutalebi, M. Reza; Hasan, M.; Guthrie, R. I. L.

    1995-08-01

    A fully coupled fluid flow, heat, and solute transport model was developed to analyze turbulent flow, solidification, and evolution of macrosegregation in a continuous billet caster. Transport equations of total mass, momentum, energy, and species for a binary iron-carbon alloy system were solved using a continuum model, wherein the equations are valid for the solid, liquid, and mushy zones in the casting. A modified version of the low-Reynolds number k-ɛ model was adopted to incorporate turbulence effects on transport processes in the system. A control-volume-based finite-difference procedure was employed to solve the conservation equations associated with appropriate boundary conditions. Because of high nonlinearity in the system of equations, a number of techniques were used to accelerate the convergence process. The effects of the parameters such as casting speed, steel grade, nozzle configuration on flow pattern, solidification profile, and carbon segregation were investigated. From the computed flow pattern, the trajectory of inclusion particles, as well as the density distribution of the particles, was calculated. Some of the computed results were compared with available experimental measurements, and reasonable agreements were obtained.

  8. Concentration statistics of solute transport for the near field zone of an estuary

    NASA Astrophysics Data System (ADS)

    Galesic, Morena; Andricevic, Roko; Gotovac, Hrvoje; Srzic, Veljko

    2016-08-01

    Rivers are considered as one of the most influential hydrological pathways for the waterborne transport and therefore estuaries are critical areas for a pollution hazard that might lead to eutrophication and general water quality deterioration. This paper is investigating the near field mixing in the estuary as the result of a combination of small scale turbulent diffusion and a larger scale variation of the advective mean velocities. In this work concentration moments were developed directly from the fundamental advection-diffusion equation for the case of continuous, steady, conservative solute transport with the dominant stream flow mean velocity. The concentration statistics were developed considering depth integrated velocity field with mean velocity attenuation due to the wind induced currents and sea tides. In order to perform further studies of developed concentration moments, a set of velocity measurements in the local river Žrnovnica estuary near Split, Croatia, was conducted and numerical random walk particle tracking model was used to run the transport simulations based on measured velocity fields. The numerical model has confirmed quantitatively first two concentration moments, which are utilized to calculate the point concentration probability density function (pdf) often needed to assess the risk of exceeding the allowed concentration values in the estuary.

  9. Purification and characterization of human erythrocyte glucose transporter in decylmaltoside detergent solution.

    PubMed

    Boulter, J M; Wang, D N

    2001-07-01

    The facilitative glucose transporter from human erythrocyte membrane, Glut1, was purified by a novel method. The nonionic detergent decylmaltoside was selected for solubilization on the basis of its efficiency to extract Glut1 from the erythrocyte membrane and its ability to maintain the protein in a monodisperse state. A positive, anion-exchange chromatography protocol produced a Glut1 preparation of 95% purity with little copurified lipid. This protein preparation exhibited cytochalasin B binding in detergent solution, as measured by tryptophan fluorescence quenching. The transporter existed as a monomer in decylmaltoside, with a Stokes radius of 50 A and a molecular mass of 147 kDa for the protein-detergent complex. We screened detergent, pH, additive, and lipid and have found conditions to maintain Glut1 monodispersity for 8 days at 25 degrees C or over 5 weeks at 4 degrees C. This Glut1 preparation represents the best available material for two- and three-dimensional crystallization trials of the human glucose transporter protein.

  10. Buoyancy-driven flow in a peat moss layer as a mechanism for solute transport

    PubMed Central

    Rappoldt, Cornelis; Pieters, Gert-Jan J. M.; Adema, Erwin B.; Baaijens, Gerrit J.; Grootjans, Ab P.; van Duijn, Cornelis J.

    2003-01-01

    Transport of nutrients, CO2, methane, and oxygen plays an important ecological role at the surface of wetland ecosystems. A possibly important transport mechanism in a water-saturated peat moss layer (usually Sphagnum cuspidatum) is nocturnal buoyancy flow, the downward flow of relatively cold surface water, and the upward flow of warm water induced by nocturnal cooling. Mathematical stability analysis showed that buoyancy flow occurs in a cooling porous layer if the system's Rayleigh number (Ra) exceeds 25. For a temperature difference of 10 K between day and night, a typical Ra value for a peat moss layer is 80, which leads to quickly developing buoyancy cells. Numerical simulation demonstrated that fluid flow leads to a considerable mixing of water. Temperature measurements in a cylindrical peat sample of 50-cm height and 35-cm diameter were in agreement with the theoretical results. The nocturnal flow and the associated mixing of the water represent a mechanism for solute transport in water-saturated parts of peat land and in other types of terrestrializing vegetation. This mechanism may be particularly important in continental wetlands, where Ra values in summer are often much larger than the threshold for fluid flow. PMID:14657381

  11. Quantum dynamics in continuum for proton transport II: Variational solvent-solute interface.

    PubMed

    Chen, Duan; Chen, Zhan; Wei, Guo-Wei

    2012-01-01

    Proton transport plays an important role in biological energy transduction and sensory systems. Therefore, it has attracted much attention in biological science and biomedical engineering in the past few decades. The present work proposes a multiscale/multiphysics model for the understanding of the molecular mechanism of proton transport in transmembrane proteins involving continuum, atomic, and quantum descriptions, assisted with the evolution, formation, and visualization of membrane channel surfaces. We describe proton dynamics quantum mechanically via a new density functional theory based on the Boltzmann statistics, while implicitly model numerous solvent molecules as a dielectric continuum to reduce the number of degrees of freedom. The density of all other ions in the solvent is assumed to obey the Boltzmann distribution in a dynamic manner. The impact of protein molecular structure and its charge polarization on the proton transport is considered explicitly at the atomic scale. A variational solute-solvent interface is designed to separate the explicit molecule and implicit solvent regions. We formulate a total free-energy functional to put proton kinetic and potential energies, the free energy of all other ions, and the polar and nonpolar energies of the whole system on an equal footing. The variational principle is employed to derive coupled governing equations for the proton transport system. Generalized Laplace-Beltrami equation, generalized Poisson-Boltzmann equation, and generalized Kohn-Sham equation are obtained from the present variational framework. The variational solvent-solute interface is generated and visualized to facilitate the multiscale discrete/continuum/quantum descriptions. Theoretical formulations for the proton density and conductance are constructed based on fundamental laws of physics. A number of mathematical algorithms, including the Dirichlet-to-Neumann mapping, matched interface and boundary method, Gummel iteration, and Krylov

  12. Throughflow and solute transport in an isolated sloping soil block in a forested catchment

    NASA Astrophysics Data System (ADS)

    Hornberger, George M.; Germann, Peter F.; Beven, Keith J.

    1991-04-01

    A 3m wide by 9m long by 1m deep soil block on a forested hillslope near Orono, ME, was isolated by excavation of encircling trenches. A sprinkler system for application of water and potassium bromide tracer was constructed over the plot. Outflow was collected at six locations with troughs. Experiments were conducted at application rates of 2.5, 5, and 10 cm h -1. Pulses of tracer were applied subsequent to attainment of steady flow and breakthrough curves were measured at all outflow points. Recession limbs of outflow hydrographs exhibited distinct breaks when plotted on semilogarithmic axes, indicating drainage from at least two distinguishable pore size classes or flow pathways. Solute breakthrough curves were dominated by a single peak; travel times of solute were inversely related to the application rate. A secondary peak in the outflow curve, which is inconsistent with transport theories for a homogeneous soil, was observed in all cases. This second peak is unexplained, but is conceptually consistent with the notion of transport in at least two pore size classes. An undisturbed soil core (diameter of 30 cm and length of 40 cm) was sprinkled at the same rates as was the soil block, using Methylene Blue as tracer in the last run. Drainage hydrographs and visual examination of dye stains in the block indicated also at this smaller scale that flow and transport are controlled by preferred paths in the soil, paths that cannot be morphologically distinguished from the surrounding soil matrix. Theoretical explanations of processes on such hillslopes need to account for this fact.

  13. Large eddy simulation of turbulence and solute transport in a forested headwater stream

    NASA Astrophysics Data System (ADS)

    Khosronejad, A.; Hansen, A. T.; Kozarek, J. L.; Guentzel, K.; Hondzo, M.; Guala, M.; Wilcock, P.; Finlay, J. C.; Sotiropoulos, F.

    2016-01-01

    The large eddy simulation (LES) module of the Virtual StreamLab (VSL3D) model is applied to simulate the flow and transport of a conservative tracer in a headwater stream in Minnesota, located in the south Twin Cities metropolitan area. The detailed geometry of the stream reach, which is ˜135 m long, ˜2.5 m wide, and ˜0.15 m deep, was surveyed and used as input to the computational model. The detailed geometry and location of large woody debris and bed roughness elements up to ˜0.1 m in size were also surveyed and incorporated in the numerical simulation using the Curvilinear Immersed Boundary approach employed in VSL3D. The resolution of the simulation, which employs up to a total of 25 million grid nodes to discretize the flow domain, is sufficiently fine to directly account for the effect of large woody debris and small cobbles (on the streambed) on the flow patterns and transport processes of conservative solutes. Two tracer injection conditions, a pulse and a plateau release, and two cross sections of measured velocity were used to validate the LES results. The computed results are shown to be in good agreement with the field measurements and tracer concentration time series. To our knowledge, the present study is the first attempt to simulate via high-resolution LES solute transport in a natural stream environment taking into account a range of roughness length scales spanning an order of magnitude: from small cobbles on the streambed (˜0.1 m in diameter) to large woody debris up to ˜3 m long.

  14. Averaged Description of Flow (Steady and Transient) and Nonreactive Solute Transport in Random Porous Media

    SciTech Connect

    Schvidler, M.; Karasaki, K.

    2011-06-15

    In previous papers (Shvidler and Karasaki, 1999, 2001, 2005, and 2008) we presented and analyzed an approach for finding the general forms of exactly averaged equations of flow and transport in porous media. We studied systems of basic equations for steady flow with sources in unbounded domains with stochastically homogeneous conductivity fields. A brief analysis of exactly averaged equations of nonsteady flow and nonreactive solute transport was also presented. At the core of this approach is the existence of appropriate random Green's functions. For example, we showed that in the case of a 3-dimensional unbounded domain the existence of appropriate random Green's functions is sufficient for finding the exact nonlocal averaged equations for flow velocity using the operator with a unique kernel-vector. Examination of random fields with global symmetry (isotropy, transversal isotropy and orthotropy) makes it possible to describe significantly different types of averaged equations with nonlocal unique operators. It is evident that the existence of random Green's functions for physical linear processes is equivalent to assuming the existence of some linear random operators for appropriate stochastic equations. If we restricted ourselves to this assumption only, as we have done in this paper, we can study the processes in any dimensional bounded or unbounded fields and in addition, cases in which the random fields of conductivity and porosity are stochastically nonhomogeneous, nonglobally symmetrical, etc.. It is clear that examining more general cases involves significant difficulty and constricts the analysis of structural types for the processes being studied. Nevertheless, we show that we obtain the essential information regarding averaged equations for steady and transient flow, as well as for solute transport.

  15. Toward efficiency in heterogeneous multispecies reactive transport modeling: A particle-tracking solution for first-order network reactions

    NASA Astrophysics Data System (ADS)

    Henri, Christopher V.; Fernández-Garcia, Daniel

    2014-09-01

    Modeling multispecies reactive transport in natural systems with strong heterogeneities and complex biochemical reactions is a major challenge for assessing groundwater polluted sites with organic and inorganic contaminants. A large variety of these contaminants react according to serial-parallel reaction networks commonly simplified by a combination of first-order kinetic reactions. In this context, a random-walk particle tracking method is presented. This method is capable of efficiently simulating the motion of particles affected by first-order network reactions in three-dimensional systems, which are represented by spatially variable physical and biochemical coefficients described at high resolution. The approach is based on the development of transition probabilities that describe the likelihood that particles belonging to a given species and location at a given time will be transformed into and moved to another species and location afterward. These probabilities are derived from the solution matrix of the spatial moments governing equations. The method is fully coupled with reactions, free of numerical dispersion and overcomes the inherent numerical problems stemming from the incorporation of heterogeneities to reactive transport codes. In doing this, we demonstrate that the motion of particles follows a standard random walk with time-dependent effective retardation and dispersion parameters that depend on the initial and final chemical state of the particle. The behavior of effective parameters develops as a result of differential retardation effects among species. Moreover, explicit analytic solutions of the transition probability matrix and related particle motions are provided for serial reactions. An example of the effect of heterogeneity on the dechlorination of organic solvents in a three-dimensional random porous media shows that the power-law behavior typically observed in conservative tracers breakthrough curves can be largely compromised by the

  16. Toward efficiency in heterogeneous multispecies reactive transport modeling: A particle-tracking solution for first-order network reactions

    NASA Astrophysics Data System (ADS)

    Henri, Christopher; Fernàndez-Garcia, Daniel

    2015-04-01

    Modeling multi-species reactive transport in natural systems with strong heterogeneities and complex biochemical reactions is a major challenge for assessing groundwater polluted sites with organic and inorganic contaminants. A large variety of these contaminants react according to serial-parallel reaction networks commonly simplified by a combination of first-order kinetic reactions. In this context, a random-walk particle tracking method is presented. This method is capable of efficiently simulating the motion of particles affected by first-order network reactions in three-dimensional systems, which are represented by spatially variable physical and biochemical coefficients described at high resolution. The approach is based on the development of transition probabilities that describe the likelihood that particles belonging to a given species and location at a given time will be transformed into and moved to another species and location afterwards. These probabilities are derived from the solution matrix of the spatial moments governing equations. The method is fully coupled with reactions, free of numerical dispersion and overcomes the inherent numerical problems stemming from the incorporation of heterogeneities to reactive transport codes. In doing this, we demonstrate that the motion of particles follows a standard random walk with time-dependent effective retardation and dispersion parameters that depend on the initial and final chemical state of the particle. The behavior of effective parameters develops as a result of differential retardation effects among species. Moreover, explicit analytic solutions of the transition probability matrix and related particle motions are provided for serial reactions. An example of the effect of heterogeneity on the dechlorination of organic solvents in a three-dimensional random porous media shows that the power-law behavior typically observed in conservative tracers breakthrough curves can be largely compromised by the

  17. Geomorphic and substrate controls on spatial variability in river solute transport and biogeochemical cycling

    NASA Astrophysics Data System (ADS)

    Blaen, Phillip; Kurz, Marie; Knapp, Julia; Mendoza-Lera, Clara; Lee-Cullin, Joe; Klaar, Megan; Drummond, Jen; Jaeger, Anna; Zarnetske, Jay; Lewandowski, Joerg; Marti, Eugenia; Ward, Adam; Fleckenstein, Jan; Datry, Thibault; Larned, Scott; Krause, Stefan

    2016-04-01

    Nutrient concentrations in surface waters and groundwaters are increasing in many agricultural catchments worldwide as a result of anthropogenic activities. Increasing geomorphological heterogeneity in river channels may help to attenuate nutrient pollution by facilitating water exchange fluxes with the hyporheic zone; a site of intense microbial activity where biogeochemical transformation rates (e.g. denitrification) can be high. However, the controls on spatial variability in biogeochemical cycling, particularly at scales relevant for river managers, are not well understood. Here, we aimed to assess: 1) how differences in geomorphological heterogeneity control river solute transport and rates of biogeochemical cycling at sub-reach scales (102 m); and 2) the relative magnitude of these differences versus those relating to reach scale substrate variability (103 m). We used the reactive 'smart' tracer resazurin (Raz), a weakly fluorescent dye that transforms to highly fluorescent resorufin (Rru) under mildly reducing conditions, as a proxy to assess rates of biogeochemical cycling in a lowland river in southern England. Solute tracer tests were conducted in two reaches with contrasting substrates: one sand-dominated and the other gravel-dominated. Each reach was divided into sub-reaches that varied in geomorphic complexity (e.g. by the presence of pool-riffle sequences or the abundance of large woody debris). Slug injections of Raz and the conservative tracer fluorescein were conducted in each reach during baseflow conditions (Q ≈ 80 L/s) and breakthrough curves monitored using in-situ fluorometers. Preliminary results indicate overall Raz:Rru transformation rates in the gravel-dominated reach were more than 50% higher than those in the sand-dominated reach. However, high sub-reach variability in Raz:Rru transformation rates and conservative solute transport parameters suggests small-scale targeted management interventions to alter geomorphic heterogeneity may be

  18. Low-density lipoprotein transport through an arterial wall under hyperthermia and hypertension conditions--An analytical solution.

    PubMed

    Iasiello, Marcello; Vafai, Kambiz; Andreozzi, Assunta; Bianco, Nicola

    2016-01-25

    An analytical solution for Low-Density Lipoprotein transport through an arterial wall under hyperthermia conditions is established in this work. A four-layer model is used to characterize the arterial wall. Transport governing equations are obtained as a combination between Staverman-Kedem-Katchalsky membrane equations and volume-averaged porous media equations. Temperature and solute transport fields are coupled by means of Ludwig-Soret effect. Results are in excellent agreement with numerical and analytical literature data under isothermal conditions, and with numerical literature data for the hyperthermia case. Effects of hypertension combined with hyperthermia, are also analyzed in this work.

  19. Understanding how hydrodynamics affects particle transport in saturated fractures using modelling and experimental results

    NASA Astrophysics Data System (ADS)

    Cianflone, S.; Lakhian, V.; Dickson, S. E.

    2013-12-01

    Approximately 35% of Canadians and Americans utilize groundwater for drinking water and as such, it is essential to understand the mechanisms which may jeopardize this resource. Porous media aquifers typically provide significant removal of particulate contaminants (eg. viruses, bacteria); however, fractures in fractured rock aquifers and aquitards often provide pathways for particles to move in greater numbers and speed than in porous media. Thus, understanding flow and transport in fractures is important for the preservation and use of groundwater sources. Models based on coupling flow and transport equations can be used in understanding transport in fractures. Both experiments and simulations have shown that there are inconsistencies in current transport, attachment and detachment theory, particularly when particle size is varied. The assumption that hydrodynamic effects do not significantly affect transport of particles is likely untrue. As well, it has been shown that preferential flow paths occur in fractures, but the effects of path specific properties such as fracture geometry have yet to be thoroughly explored. It has been observed that eddies caused by local changes in geometry exist in fractures in the environment and models have demonstrated that such eddies will retard the flow of particles. In this work, two 2D fractures were randomly generated with a mean aperture of approximately 2mm. Finite element software, COMSOL Multiphysics, generated flow fields through the fractures by numerically solving the steady-state Navier-Stokes equation for varied flow rates. Eddies were observed in one of the fractures at both low (~1 m/day) and high (>100 m/day) velocities. A program was written using random walk particle tracking to simulate transport. Theories of attachment, detachment and matrix flow are not included in this model in order to isolate hydrodynamic forces. In combination with the modelling procedure, the two fractures were inscribed into pieces of

  20. The breakdown of water repellency and solute transport through a hydrophobic soil

    NASA Astrophysics Data System (ADS)

    Clothier, B. E.; Vogeler, I.; Magesan, G. N.

    2000-05-01

    Unsaturated infiltration into the Ramiha silt loam, an Andic Dystrochrept, follows the classic pattern. A rapid drop-off from a high flow rate, seemingly induced by capillary attraction, appears followed by an apparent steady-flow maintained by gravity at around 0.5 μm s -1. Beyond 100 min, however, the infiltration rate climbs nearly linearly to exceed 4 μm s -1 as the soil's water repellency breaks down. This is only evident after a period that might exceed the observer's attention span. The hydrophobicity in this case could be due to one, or a combination, of the many unusual characteristics of this soil—its low bulk density (0.8 Mg m -3), its strongly aggregated nature, the presence of mycorrhizal fungi, its high organic matter content (16.5%), or the presence of allophanic clay (4%). Our measurements of infiltration into undisturbed cores of Ramiha silt loam were made with disc permeameters set at the unsaturated pressure head of h 0=-40 mm. The permeameters contained a solution of electrolytic tracer (KBr) so that we could observe solute transport in this soil. Vertical three-wire rods for Time Domain Reflectometry (TDR) measurement were inserted directly through the base plate of the permeameter so that we could continuously monitor the soil's changing water content and resident concentration of electrolyte. The TDR measurements revealed the transient behaviour of fingered preferential flow into this soil during the breakdown of hydrophobicity. At the conclusion of the experiment, the soil cores were sectioned to permit measurement of the profiles in the resident concentration of the invading chemical. Near the surface, at the conclusion of the experiment, the resident concentration of bromide was found to be exactly that of the invading solution. So, despite the initial water repellency of the soil, the infiltrating bromide solution was subsequently able to invade the entire pore space—once the hydrophobicity had dissipated. Classic theory would then

  1. A Solution Methodology and Computer Program to Efficiently Model Thermodynamic and Transport Coefficients of Mixtures

    NASA Technical Reports Server (NTRS)

    Ferlemann, Paul G.

    2000-01-01

    A solution methodology has been developed to efficiently model multi-specie, chemically frozen, thermally perfect gas mixtures. The method relies on the ability to generate a single (composite) set of thermodynamic and transport coefficients prior to beginning a CFD solution. While not fundamentally a new concept, many applied CFD users are not aware of this capability nor have a mechanism to easily and confidently generate new coefficients. A database of individual specie property coefficients has been created for 48 species. The seven coefficient form of the thermodynamic functions is currently used rather then the ten coefficient form due to the similarity of the calculated properties, low temperature behavior and reduced CPU requirements. Sutherland laminar viscosity and thermal conductivity coefficients were computed in a consistent manner from available reference curves. A computer program has been written to provide CFD users with a convenient method to generate composite specie coefficients for any mixture. Mach 7 forebody/inlet calculations demonstrated nearly equivalent results and significant CPU time savings compared to a multi-specie solution approach. Results from high-speed combustor analysis also illustrate the ability to model inert test gas contaminants without additional computational expense.

  2. Core-scale solute transport model selection using Monte Carlo analysis

    NASA Astrophysics Data System (ADS)

    Malama, Bwalya; Kuhlman, Kristopher L.; James, Scott C.

    2013-06-01

    Model applicability to core-scale solute transport is evaluated using breakthrough data from column experiments conducted with conservative tracers tritium (3H) and sodium-22 (22Na ), and the retarding solute uranium-232 (232U). The three models considered are single-porosity, double-porosity with single-rate mobile-immobile mass-exchange, and the multirate model, which is a deterministic model that admits the statistics of a random mobile-immobile mass-exchange rate coefficient. The experiments were conducted on intact Culebra Dolomite core samples. Previously, data were analyzed using single-porosity and double-porosity models although the Culebra Dolomite is known to possess multiple types and scales of porosity, and to exhibit multirate mobile-immobile-domain mass transfer characteristics at field scale. The data are reanalyzed here and null-space Monte Carlo analysis is used to facilitate objective model selection. Prediction (or residual) bias is adopted as a measure of the model structural error. The analysis clearly shows single-porosity and double-porosity models are structurally deficient, yielding late-time residual bias that grows with time. On the other hand, the multirate model yields unbiased predictions consistent with the late-time -5/2 slope diagnostic of multirate mass transfer. The analysis indicates the multirate model is better suited to describing core-scale solute breakthrough in the Culebra Dolomite than the other two models.

  3. The next generation in optical transport semiconductors: IC solutions at the system level

    NASA Astrophysics Data System (ADS)

    Gomatam, Badri N.

    2005-02-01

    In this tutorial overview, we survey some of the challenging problems facing Optical Transport and their solutions using new semiconductor-based technologies. Advances in 0.13um CMOS, SiGe/HBT and InP/HBT IC process technologies and mixed-signal design strategies are the fundamental breakthroughs that have made these solutions possible. In combination with innovative packaging and transponder/transceiver architectures IC approaches have clearly demonstrated enhanced optical link budgets with simultaneously lower (perhaps the lowest to date) cost and manufacturability tradeoffs. This paper will describe: *Electronic Dispersion Compensation broadly viewed as the overcoming of dispersion based limits to OC-192 links and extending link budgets, *Error Control/Coding also known as Forward Error Correction (FEC), *Adaptive Receivers for signal quality monitoring for real-time estimation of Q/OSNR, eye-pattern, signal BER and related temporal statistics (such as jitter). We will discuss the theoretical underpinnings of these receiver and transmitter architectures, provide examples of system performance and conclude with general market trends. These Physical layer IC solutions represent a fundamental new toolbox of options for equipment designers in addressing systems level problems. With unmatched cost and yield/performance tradeoffs, it is expected that IC approaches will provide significant flexibility in turn, for carriers and service providers who must ultimately manage the network and assure acceptable quality of service under stringent cost constraints.

  4. Low-temperature solution-processed graphene oxide derivative hole transport layer for organic solar cells

    NASA Astrophysics Data System (ADS)

    Zheng, Qiao; Fang, Guojia; Cheng, Fei; Lei, Hongwei; Qin, Pingli; Zhan, Caimao

    2013-04-01

    A Mo6+ cation modified graphene oxide (GO) derivative of GO-Mo was synthesized by a low-temperature solution method with different amounts of ammonium heptamolybdate (Mo-precursor) added into the GO solutions. The GO-Mo products were characterized through Raman microspectroscopy, scanning electron microscopy, transmission electron microscopy, energy dispersive x-ray spectroscopy and x-ray photoelectron spectroscopy measurements and their photoelectric properties were systematically investigated. Organic bulk heterojunction solar cells with GO-Mo as the hole transport layer (HTL) were fabricated and their performance as a function of the number of GO-Mo layers was also studied. The performance of these devices was much better than that of the device with GO as the HTL. The best performance of the device with a power conversion efficiency of 2.61%, an open-circuit voltage of 0.59 V and a short-circuit current density of 9.02 mA cm-2 were obtained. Finally, the effect of the Mo-precursor weight in the GO solution on the device performance was discussed.

  5. Transport of ions across bipolar membranes. 1. Theoretical and experimental examination of the membrane potential of KCl solutions

    SciTech Connect

    Higa, Mitsuru; Kira, Akira

    1995-04-06

    A calculation method was derived for ionic transport across a bipolar membrane in dialysis systems of mixed salt solutions containing multivalent ions. The calculation of the total membrane potential in the solutions containing KCl alone by this method shows that the potential-salt concentration curve depends both on the direction of the arrangement of the membrane charged layers to the concentration gradient of the salt solutions and on the ratio of the charge densities of the two charged layers. The simulations based on experimentally determined parameters agree with the potential measurements for bipolar membranes produced so that the transport properties depend mainly on their charges. 40 refs., 4 figs., 1 tab.

  6. Reactive solute transport in streams. 2. Simulation of a pH modification experiment

    USGS Publications Warehouse

    Runkel, R.L.; McKnight, Diane M.; Bencala, K.E.; Chapra, S.C.

    1996-01-01

    We present an application of an equilibrium-based solute transport model to a pH-modification experiment conducted on the Snake River, an acidic, metal-rich stream located in the Rocky Mountains of Colorado. During the experiment, instream pH decreased from 4.2 to 3.2, causing a marked increase in dissolved iron concentrations. Model application requires specification of several parameters that are estimated using tracer techniques, mass balance calculations, and geochemical data. Two basic questions are addressed through model application: (1) What are the processes responsible for the observed increase in dissolved iron concentrations? (2) Can the identified processes be represented within the equilibrium-based transport model? Simulation results indicate that the increase in iron was due to the dissolution of hydrous iron oxides and the photoreduction of ferric iron. Dissolution from the streambed is represented by considering a trace compartment consisting of freshly precipitated hydrous iron oxide and an abundant compartment consisting of aged precipitates that are less soluble. Spatial variability in the solubility of hydrous iron oxide is attributed to heterogeneity in the streambed sediments, temperature effects, and/or variability in the effects of photoreduction. Solubility products estimated via simulation fall within a narrow range (pK(sp) from 40.2 to 40.8) relative to the 6 order of magnitude variation reported for laboratory experiments (pK(sp) from 37.3 to 43.3). Results also support the use of an equilibrium-based transport model as the predominate features of the iron and p H profiles are reproduced. The model provides a valuable tool for quantifying the nature and extent of pH- dependent processes within the context of hydrologic transport.

  7. Analytical solution to transport in three-dimensional heterogeneous well capture zones

    NASA Astrophysics Data System (ADS)

    Indelman, P.; Lessoff, S. C.; Dagan, G.

    2006-09-01

    Solute transport is investigated in a heterogeneous aquifer for combined natural-gradient and well flows. The heterogeneity is associated with the spatially varying hydraulic conductivity K( x, y, z), which is modelled as a log-normal stationary-random function. As such, the conductivity distribution is characterized by four parameters: the arithmetic mean KA, the variance σY2 ( Y = ln K), the horizontal integral scale I of the axisymmetric log-conductivity autocorrelation and the anisotropy ratio e = Iv/ I ( Iv is the vertical integral scale). The well fully penetrates an aquifer of constant thickness B and has given constant discharge QB, while the background aquifer flow is driven by an uniform mean head-gradient, - J. Therefore, for a medium of homogeneous conductivity KA, the steady-state capture zone has a width 2 L = Q/( KA| J|) far from the well (herein the term capture zone is used to refer both to the zone from which water is captured by a pumping well and the zone that captures fluid from an injecting well). The main aim is to determine the mean concentration as a function of time in fluid recovered by a pumping well or in a control volume of the aquifer that captures fluid from an injecting well. Relatively simple solutions to these complex problems are achieved by adopting a few assumptions: a thick aquifer B ≫ Iv of large horizontal extent (so that boundary effects may be neglected), weak heterogeneity σY2 < 1, a highly anisotropic formation e < 0.2 and neglect of pore-scale dispersion. Transport is analyzed to the first-order in σY2 in terms of the travel time of particles moving from or towards the well along the steady streamlines within the capture zone. Travel-time mean and variance to any point are computed by two quadratures for an exponential log-conductivity two-point covariance. Spreading is reflected by the variance value, which increases with σY2 and I/ L. For illustration, the procedure is applied to two particular cases. In the

  8. New type of osmoregulated solute transporter identified in halophilic members of the bacteria domain: TRAP transporter TeaABC mediates uptake of ectoine and hydroxyectoine in Halomonas elongata DSM 2581(T).

    PubMed

    Grammann, Katrin; Volke, Angela; Kunte, Hans Jörg

    2002-06-01

    The halophilic bacterium Halomonas elongata synthesizes as its main compatible solute the aspartate derivative ectoine. We constructed a deletion mutant of H. elongata, KB1, defective in ectoine synthesis and tolerating elevated salt concentrations only in the presence of external compatible solutes. The dependency of KB1 on solute uptake for growth in high-salt medium was exploited to select insertion mutants unable to accumulate external solutes via osmoregulated transporters. One insertion mutant out of 7,200 failed to accumulate the osmoprotectants ectoine and hydroxyectoine. Genetic analysis of the insertion site proved that the mutation affected an open reading frame (ORF) of 1,281 bp (teaC). The nucleotide sequence upstream of teaC was determined, and two further ORFs of 603 bp (teaB) and 1,023 bp (teaA) were identified. Deletion of teaA and teaB proved that all three genes are mandatory for ectoine uptake. Sequence comparison showed significant identity of TeaA, TeaB, and TeaC to the transport proteins of the recently identified tripartite ATP-independent periplasmic transporter family (TRAP-T). The affinity of the cells for ectoines was determined (K(s) = 21.7 microM), suggesting that the transporter TeaABC exhibits high affinity for ectoines. An elevation of the external osmolarity resulted in a strong increase in ectoine uptake via TeaABC, demonstrating that this transporter is osmoregulated. Deletion of teaC and teaBC in the wild-type strain led to mutants which excreted significant amounts of ectoine into the medium when cultivated at high salt concentrations. Therefore, the physiological role of TeaABC may be primarily to recover ectoine leaking through the cytoplasmic membrane.

  9. Alpha-Synuclein affects neurite morphology, autophagy, vesicle transport and axonal degeneration in CNS neurons

    PubMed Central

    Koch, J C; Bitow, F; Haack, J; d'Hedouville, Z; Zhang, J-N; Tönges, L; Michel, U; Oliveira, L M A; Jovin, T M; Liman, J; Tatenhorst, L; Bähr, M; Lingor, P

    2015-01-01

    Many neuropathological and experimental studies suggest that the degeneration of dopaminergic terminals and axons precedes the demise of dopaminergic neurons in the substantia nigra, which finally results in the clinical symptoms of Parkinson disease (PD). The mechanisms underlying this early axonal degeneration are, however, still poorly understood. Here, we examined the effects of overexpression of human wildtype alpha-synuclein (αSyn-WT), a protein associated with PD, and its mutant variants αSyn-A30P and -A53T on neurite morphology and functional parameters in rat primary midbrain neurons (PMN). Moreover, axonal degeneration after overexpression of αSyn-WT and -A30P was analyzed by live imaging in the rat optic nerve in vivo. We found that overexpression of αSyn-WT and of its mutants A30P and A53T impaired neurite outgrowth of PMN and affected neurite branching assessed by Sholl analysis in a variant-dependent manner. Surprisingly, the number of primary neurites per neuron was increased in neurons transfected with αSyn. Axonal vesicle transport was examined by live imaging of PMN co-transfected with EGFP-labeled synaptophysin. Overexpression of all αSyn variants significantly decreased the number of motile vesicles and decelerated vesicle transport compared with control. Macroautophagic flux in PMN was enhanced by αSyn-WT and -A53T but not by αSyn-A30P. Correspondingly, colocalization of αSyn and the autophagy marker LC3 was reduced for αSyn-A30P compared with the other αSyn variants. The number of mitochondria colocalizing with LC3 as a marker for mitophagy did not differ among the groups. In the rat optic nerve, both αSyn-WT and -A30P accelerated kinetics of acute axonal degeneration following crush lesion as analyzed by in vivo live imaging. We conclude that αSyn overexpression impairs neurite outgrowth and augments axonal degeneration, whereas axonal vesicle transport and autophagy are severely altered. PMID:26158517

  10. Preferential flow and solute transport in a large lysimeter, under controlled boundary conditions.

    NASA Astrophysics Data System (ADS)

    Schoen, R.; Gaudet, J. P.; Bariac, T.

    1999-02-01

    Laboratory studies of solute transport in soils (soil columns) are not totally representative of field conditions (spatial variability, soil structure etc.). Field studies hardly allow quantification of fluxes and mechanisms. In this article, and intermediate approach is suggested, using a lysimeter (1.7 m 3) of an almost undisturbed soil, with controlled boundary conditions, the aim being to be able to quantify fluxes and mechanisms at a scale closer to field conditions, thus yielding results that better depict reality. Two experiments, with constant water fluxes of 1.05 and 1.48 mm h -1 were conducted. Solutes were introduced as concentration pulses. Species 2H 2O, C1 - and Br - were used as tracers, and K +, NH 4+, NO 3-, atrazine as interactive and/or reactive solutes. Elution curves were analyzed by the method of moments. Results show that about 20% of the water are immobile. As a consequence of anion exclusion, anion tracers appear at the outlet with an advance of about 10% in time as compared to isotopic tracers. The added NH 4+is mostly nitrified, and K + undergoes cation exchange with Ca 2+ and Mg 2+. Under our experimental conditions, leaching of atrazine is significant with low degradation. A third experiment was conducted, in which the flow was interrupted while the solute peak was within the lysimeter, and 400 soil samples were extracted from the lysimeter. Soil-water content distributions exhibit coefficients of variation within layers between 5% and 27%. Concentration distributions exhibit coefficients of variation within layers between 22% and 59%. There is no correlation between concentration and water content. The observed spatial variability suggests the occurrence of preferential flow. Concentrations in suction cups were 55%-136% of those measured in corresponding soil samples.

  11. Linking Soils and Streams: Hydrological Controls on Organic and Inorganic Solute Transport in two Mediterranean Catchments

    NASA Astrophysics Data System (ADS)

    Sanderman, J.; Lohse, K. A.; Amundson, R.

    2005-12-01

    The dissolved chemical load in a particular stream is the result of a complex interplay between upland soil biogeochemistry, hydrology and downstream biogeochemical cycling. Because few studies have coupled biogeochemical and hydrological studies at the sub-catchment scale, we still do not fully understand the processes controlling transport and retention of nutrients as they interact with different hydrologic pathways. To better understand the processes behind observed seasonal trends in both organic (dissolved organic matter (DOM)) and inorganic (NO3, HCO3, Si, Al, Fe, Ca, Mg, ...) solute concentrations entering the stream network, we monitored changes in solution chemistry as rainwater moved through the soils and out into the streams of two small (<2 ha) coastal California catchments of differing rainfalls. In the steeper, more humid and deeply weathered site where vertically infiltrating throughflow dominates everywhere except in the immediate vicinity of the channel head, concentrations of DOM drop rapidly with depth primarily due to adsorption with the fine textured soil resulting in very low concentrations in stream water. At the gentler sloping site, saturated subsurface and saturated overland flow occur during most large storms leading to a rapid transfer of DOM and other biologically active solutes from the surface soils directly to the stream bypassing the deeper fine textured zone where adsorption and other removal mechanisms could occur. Due to this short-circuiting of typical elemental removal mechanisms, we observe a significant jump in both organic and inorganic solute concentrations from base flow levels during these large storm events as the spatial extent of saturated flow greatly expands upslope from the channel head. In the two ecosystems in this study, the hydrologic routing of water from soil to stream plays a critical role in determining the stream water chemistry.

  12. A time-resolved fluorescence study of electronic excitation energy transport in concentrated dye solutions

    NASA Astrophysics Data System (ADS)

    Scully, A. D.; Matsumoto, A.; Hirayama, S.

    1991-11-01

    Singlet-state radiative and nonradiative energy transport among randomly distributed donor and acceptor molecules in solutions of ethylene glycol has been investigated by using time-resolved fluorescence spectroscopy. Radiative energy transfer in moderately concentrated solutions of rhodamine 6G contained in a 1 cm pathlength cuvette results in nonexponential fluorescence decay curves which can be described in terms of the relative fluorescence emission yield of the ith transfer process, φ i, the average number of transfer steps, < n >, and the apparent fluorescence lifetime, <τ >. The fluorescence decay profiles measured from thin films (⩽ 20 μm) of solutions of rhodamine 6G donors in the presence of malachite green acceptors are also nonexponential and at low donor concentrations (1.0 × 10 -4 M) the decay curves can be described by using Förster's dipole-dipole model for nonradiative energy transfer, where the value for the critical transfer distance, R0, is calculated to be (5.9±0.1) nm. At higher donor concentrations (3.0 × 10 -3 M) the Förster model is inappropriate. However, the model proposed by Loring, Anderson and Fayer (LAF), which allows for the effects of nonradiative energy transfer among donors, provides excellent fits to the experimentally determined fluorescence decay curves for this donor concentration and results in a value of R0 for nonradiative energy transfer between rhodamine 6G chromophores of (5.8±0.1) nm. The LAF model also provides a satisfactory description of the kinetics of the quenching by rhodamine 6G dimers of the fluorescence from thin films of highly concentrated solutions of rhodamine 6G. The value of R0 for nonradiative energy transfer from monomer to dimer and the equilibrium constant for rhodamine 6G dimerization are calculated to be (3.2±0.1) nm and 19 M -1, respectively.

  13. The measurement of a complete set of transport properties for a concentrated solid polymer electrolyte solution

    SciTech Connect

    Ma, Y.; Doyle, M.; Doeff, M.M.; De Jonghe, L.C.; Newman, J.; Fuller, T.F.

    1995-06-01

    Polymer electrolytes based on alkali metal salts in poly(ethylene oxides) are important for possible use in rechargeable batteries for both electric vehicle and consumer electronics applications. The authors measure a complete set of transport properties for one particular binary salt solution: sodium trifluoromethanesulfonate in poly(ethylene oxide), over a wide range of salt concentrations (0.1 to 2.6M) at 85 C. The properties measured include the conductivity, the salt diffusion coefficient, and the Na ion transference number. The mean molar activity coefficient of the salt is also determined. The conductivity and diffusion coefficients of NaCF{sub 3}SO{sub 3} are similar in magnitude to those of LiCF{sub 3}SO{sub 3} in (polyethylene oxide). The transference number and thermodynamic factor are found by combining concentration cell data with the results of galvanostatic polarization experiments. A theoretical analysis of the experimental method based on concentrated-solution theory is given. The study verifies that the transference numbers derived from the experiments retain fundamental significance in applications involving both steady and transient processes and in systems coupling the polymer electrolyte with electrodes of all types (stoichiometries). The relevant transference numbers can be determined independently of any knowledge of speciation of the polymer electrolyte. The transference numbers found here for the sodium ion are much lower than those reported for the lithium ion, especially in the concentrated solutions. The transference number of the sodium ion is negative in the more concentrated solutions and levels off at its maximum value of 0.31 in the dilute concentration range. The transference number results are interpreted in terms of complexation of the sodium ion with the anionic species.

  14. Investigating the effect of compression on solute transport through degrading municipal solid waste

    SciTech Connect

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

    2014-11-15

    Highlights: • The influence of compression on MSW flushing was evaluated using 13 tracer tests. • Compression has little effect on solute diffusion times in MSW. • Lithium tracer was conservative in non-degrading waste but not in degrading waste. • Bromide tracer was conservative, but deuterium was not. - Abstract: The effect of applied compression on the nature of liquid flow and hence the movement of contaminants within municipal solid waste was examined by means of thirteen tracer tests conducted on five separate waste samples. The conservative nature of bromide, lithium and deuterium tracers was evaluated and linked to the presence of degradation in the sample. Lithium and deuterium tracers were non-conservative in the presence of degradation, whereas the bromide remained effectively conservative under all conditions. Solute diffusion times into and out of less mobile blocks of waste were compared for each test under the assumption of dominantly dual-porosity flow. Despite the fact that hydraulic conductivity changed strongly with applied stress, the block diffusion times were found to be much less sensitive to compression. A simple conceptual model, whereby flow is dominated by sub-parallel low permeability obstructions which define predominantly horizontally aligned less mobile zones, is able to explain this result. Compression tends to narrow the gap between the obstructions, but not significantly alter the horizontal length scale. Irrespective of knowledge of the true flow pattern, these results show that simple models of solute flushing from landfill which do not include depth dependent changes in solute transport parameters are justified.

  15. Solute transport processes in flow-event-driven stream-aquifer interaction

    NASA Astrophysics Data System (ADS)

    Xie, Yueqing; Cook, Peter G.; Simmons, Craig T.

    2016-07-01

    The interaction between streams and groundwater controls key features of the stream hydrograph and chemograph. Since surface runoff is usually less saline than groundwater, flow events are usually accompanied by declines in stream salinity. In this paper, we use numerical modelling to show that, at any particular monitoring location: (i) the increase in stream stage associated with a flow event will precede the decrease in solute concentration (arrival time lag for solutes); and (