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
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.
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
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...
Abbott, Geoffrey W.; Tai, Kwok-Keung; Neverisky, Daniel; Hansler, Alex; Hu, Zhaoyang; Roepke, Torsten K.; Lerner, Daniel J.; Chen, Qiuying; Liu, Li; Zupan, Bojana; Toth, Miklos; Haynes, Robin; Huang, Xiaoping; Demirbas, Didem; Buccafusca, Roberto; Gross, Steven S.; Kanda, Vikram A.; Berry, Gerard T.
2014-01-01
Na+-coupled solute transport is crucial for the uptake of nutrients and metabolic precursors, such as myo-inositol, an important osmolyte and precursor for various cell signaling molecules. Here, we found that various solute transporters and potassium channel subunits formed complexes and reciprocally regulated each other in vitro and in vivo. Global metabolite profiling revealed that mice lacking KCNE2, a K+ channel β subunit, showed a reduction in the myo-inositol concentration in cerebrospinal fluid (CSF) but not in serum. Increased behavorial responsiveness to stress and seizure susceptibility in Kcne2−/− mice were alleviated by injections of myo-inositol. Suspecting a defect in myo-inositol transport, we found that KCNE2 and KCNQ1, a voltage-gated potassium channel α subunit, colocalized and coimmunoprecipitated with SMIT1, a Na+-coupled myo-inositol transporter, in the choroid plexus epithelium. Heterologous coexpression demonstrated that myo-inositol transport by SMIT1 was augmented by coexpression of KCNQ1 but inhibited by coexpression of both KCNQ1 and KCNE2, which form a constitutively active, heteromeric K+ channel. SMIT1 and the related transporter SMIT2 were also inhibited by a constitutively active mutant form of KCNQ1. The activity of KCNQ1 and KCNQ1-KCNE2 were augmented by SMIT1 and the glucose transporter SGLT1, but suppressed by SMIT2. Channel-transporter signaling complexes may be a widespread mechanism to facilitate solute transport and electrochemical crosstalk. PMID:24595108
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
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.
Transport solutions for cleaner air.
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
Solute transport at fracture intersections
NASA Astrophysics Data System (ADS)
Mourzenko, V. V.; Yousefian, F.; Kolbah, B.; Thovert, J.-F.; Adler, P. M.
2002-01-01
A numerical study of three-dimensional solute transportat fracture intersections by using a particle tracking technique is presented.Two models of orthogonal fracture intersection are considered, namely, twoparallel-walled channels and two rough-walled Gaussian fractures. The fluidvelocity is calculated by solving the three-dimensional Stokes equation withno-slip boundary condition at the solid wall. Examples of individual trajectoriesof particles are first given in order to illustrate the main features of thephenomenon. Solute mass partitioning between outgoing fracture branches isconsidered for various transport regimes, characterized by the local Pécletnumber, and for various ratios of the flow rates in the intersecting channels.Generally speaking, it can be said that at dominant diffusion the influenceof the flow rates ratio is weak, while it is important in the opposite situation.Validity of the classical models of solute mixing, stream tube routing, andperfect mixing is analyzed by comparing their predictions with the numericaldata. Preliminary recommendations are made for the use of these results inlarge-scale modeling.
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
Reactive solute transport in acidic streams
Broshears, R.E.
1996-01-01
Spatial and temporal profiles of Ph and concentrations of toxic metals in streams affected by acid mine drainage are the result of the interplay of physical and biogeochemical processes. This paper describes a reactive solute transport model that provides a physically and thermodynamically quantitative interpretation of these profiles. The model combines a transport module that includes advection-dispersion and transient storage with a geochemical speciation module based on MINTEQA2. Input to the model includes stream hydrologic properties derived from tracer-dilution experiments, headwater and lateral inflow concentrations analyzed in field samples, and a thermodynamic database. Simulations reproduced the general features of steady-state patterns of observed pH and concentrations of aluminum and sulfate in St. Kevin Gulch, an acid mine drainage stream near Leadville, Colorado. These patterns were altered temporarily by injection of sodium carbonate into the stream. A transient simulation reproduced the observed effects of the base injection.
Simulation models for conservative and nonconservative solute transport in streams
Runkel, R.L.
1995-01-01
Solute transport in streams is governed by a suite of hydrologic and chemical processes. Interactions between hydrologic processes and chemical reactions may be quantified through a combination of field-scale experimentation and simulation modeling. Two mathematical models that simulate conservative and nonconservative solute transport in streams are presented. A model for conservative solutes that considers One Dimensional Transport with Inflow and Storage (OTIS) may be used in conjunction with tracer-dilution methods to quantify hydrologic transport processes (advection, dispersion, lateral inflow and transient storage). For nonconservative solutes, a model known as OTEQ may be used to quantify chemical processes within the context of hydrologic transport. OTEQ combines the transport mechanisms in OTIS with a chemical equilibrium sub-model that considers complexation, precipitation/dissolution and sorption. OTEQ has been used to quantify processes affecting trace metals in two streams in the Rocky Mountains of Colorado, USA.
Solute transport by a volatile solvent
NASA Astrophysics Data System (ADS)
Brown, Glenn O.; McWhorter, David B.
1990-05-01
In relatively dry porous media, water is transported as both liquid and vapor. Exact knowledge of this two-phase transport, and the phase transfer of water associated with it, is required for the prediction of solute transport. Combined liquid and vapor transport is examined starting from basic principles. An analytic solution is presented for the case of isothermal, transient, one-dimensional sorption of water with constant liquid content boundaries. A relation is also obtained for the evaporation and condensation within the flow field. A numerical solution for the solute transport is obtained which takes maximum advantage of the analytical flow solution. Using the properties of Lurgi retorted oil shale, several special cases are examined which show the relative importance of the separate phases in the total transport of water, the effects on the phase transfer, and the solute transport. It is expected that these methods and results can be applied to other problems in multiple phase transport, such as hazardous waste disposal and pesticide transport.
Mammalian ion-coupled solute transporters.
Hediger, M A; Kanai, Y; You, G; Nussberger, S
1995-01-01
Active transport of solutes into and out of cells proceeds via specialized transporters that utilize diverse energy-coupling mechanisms. Ion-coupled transporters link uphill solute transport to downhill electrochemical ion gradients. In mammals, these transporters are coupled to the co-transport of H+, Na+, Cl- and/or to the countertransport of K+ or OH-. By contrast, ATP-dependent transporters are directly energized by the hydrolysis of ATP. The development of expression cloning approaches to select cDNA clones solely based on their capacity to induce transport function in Xenopus oocytes has led to the cloning of several ion-coupled transporter cDNAs and revealed new insights into structural designs, energy-coupling mechanisms and physiological relevance of the transporter proteins. Different types of mammalian ion-coupled transporters are illustrated by discussing transporters isolated in our own laboratory such as the Na+/glucose co-transporters SGLT1 and SGLT2, the H(+)-coupled oligopeptide transporters PepT1 and PepT2, and the Na(+)- and K(+)-dependent neuronal and epithelial high affinity glutamate transporter EAAC1. Most mammalian ion-coupled organic solute transporters studied so far can be grouped into the following transporter families: (1) the predominantly Na(+)-coupled transporter family which includes the Na+/glucose co-transporters SGLT1, SGLT2, SGLT3 (SAAT-pSGLT2) and the inositol transporter SMIT, (2) the Na(+)- and Cl(-)-coupled transporter family which includes the neurotransmitter transporters of gamma-amino-butyric acid (GABA), serotonin, dopamine, norepinephrine, glycine and proline as well as transporters of beta-amino acids, (3) the Na(+)- and K(+)-dependent glutamate/neurotransmitter family which includes the high affinity glutamate transporters EAAC1, GLT-1, GLAST, EAAT4 and the neutral amino acid transporters ASCT1 and SATT1 reminiscent of system ASC and (4) the H(+)-coupled oligopeptide transporter family which includes the intestinal H
Electrofuels: Versatile Transportation Energy Solutions
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.
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.
Performance Analysis of Solution Transportation Absorption Chiller
NASA Astrophysics Data System (ADS)
Kiani, Behdad; Hamamoto, Yoshinori; Akisawa, Atsushi; Kashiwagi, Takao
Thermally activated advanced absorption cycles are considered promising candidates to replace CFCs, HCFCs and HFCs for residential and commercial applications. In such absorption systems, it is desirable to utilize the waste heat from industries for heating and cooling applications in commercial and residential sectors. For this purpose, it is necessary to transport energy over some distance because the waste heat source and demand are generally located apart from each other. Transportation of steam, hot water or chilled water requires high construction costs for insulation. There is an efficient method of energy transportation using absorption system called “ Solution Transportation Absorption System (STA)”. The solution is transported at an ambient temperature so that tube-insulations not required. This paper shows the simulation of the abovementioned system and the optimal result, using mathematical optimization. The optimum system with industry‧s waste heat utilization is obtained. At the end, the effect on the pollution emission and energy conservation is obtained.
Future variability of solute transport in a macrotidal estuary
NASA Astrophysics Data System (ADS)
Robins, Peter E.; Lewis, Matt J.; Simpson, John H.; Howlett, Eleanor R.; Malham, Shelagh K.
2014-12-01
The physical controls on salt distribution and river-sourced conservative solutes, including the potential implications of climate change, are investigated referring to model simulations of a macrotidal estuary. In the UK, such estuaries typically react rapidly to rainfall events and, as such, are often in a state of non-equilibrium in terms of solute transport; hence are particularly sensitive to climate extremes. Sea levels are projected to rise over the 21st century, extending the salinity maximum upstream in estuaries, which will also affect downstream solute transport, promoting estuarine trapping and reducing offshore dispersal of material. Predicted 'drier summers' and 'wetter winters' in the UK will influence solute transport further still; we found that projected river flow climate changes were more influential than sea-level rise, especially for low flow conditions. Our simulations show that projected climate change for the UK is likely to increase variability in estuarine solute transport and, specifically, increase the likelihood of estuarine trapping during summer, mainly due to drier weather conditions. Future changes in solute transport were less certain during winter, since increased river flow will to some extent counter-act the effects of sea-level rise. Our results have important implications for non-conservative nutrient transport, water quality, coastal management and ecosystem resilience.
Multilevel transport solution of LWR reactor cores
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.
Solute transport through a deforming porous medium
NASA Astrophysics Data System (ADS)
Peters, Glen P.; Smith, David W.
2002-06-01
Solute transport through a porous medium is typically modelled assuming the porous medium is rigid. However, many applications exist where the porous medium is deforming, including, municipal landfill liners, mine tailings dams, and land subsidence. In this paper, mass balance laws are used to derive the flow and transport equations for a deforming porous medium. The equations are derived in both spatial and material co-ordinate systems. Solute transport through an engineered landfill liner is used as an illustrative example to show the differences between the theory for a rigid porous medium, and small and large deformation analysis of a deforming porous medium. It is found that the large deformation model produces shorter solute breakthrough times, followed by the small deformation model, and then the rigid porous medium model. It is also found that it is important to include spatial and temporal void ratio variations in the large deformation analysis. It is shown that a non-linear large deformation model may greatly reduce the solute breakthrough time, compared to a standard transport analysis typically employed by environmental engineers.
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.
Solute transport in heterogeneous porous formations
NASA Astrophysics Data System (ADS)
Demmy, George Gary, Jr.
1999-10-01
This work quantifies relationships between the spatial, or Eulerian, distribution of the properties of a chemically and physically heterogeneous porous medium and those as observed along the natural, or Lagrangian, trajectories that a fluid particle traces in a steady and irrotational flow. From these relationships, expressions that relate the transport of solutes through the porous medium along the natural trajectories to the aforementioned Eulerian distributions are developed. The effects of injection mode upon global measures of transport as reflected by the temporal moments of breakthrough curves and spatial moments of a solute plume are developed. The coupled effects of correlation of a linear equilibrium sorption to the underlying log hydraulic conductivity field and injection mode on the evolving temporal moments of mass breakthrough curve and the coupled effects of correlation of a first-order decay coefficient and injection mode upon the spatial moments of a solute plume are examined.
Probing Nanoscale Thermal Transport in Surfactant Solutions
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
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.
Probing Nanoscale Thermal Transport in Surfactant Solutions.
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
Conditions and processes affecting radionuclide transport
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.
Solute transport along preferential flow paths in unsaturated fractures
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.
Compositional transport in solidifying aqueous binary solution
NASA Astrophysics Data System (ADS)
Zhong, Jin-Qiang; Yin, Zuo-Chao; Xue, Qiwei; Wettlaufer, John
2013-11-01
We observe the formation of double-diffusive layers adjacent to mushy layers that form during the directional solidification of aqueous ammonium chloride. The plumes emerging from chimney's in the mushy layers continuously supply a buoyancy flux in the (finite) liquid region above, driving downward motion of double-diffusive layers. The downward velocity of the layers is found to be in good agreement with a filling box model that captures the crucial hydrodynamics of the entraining buoyant plumes and compositional transport. We demonstrate that the buoyancy flux through the system decays according to a similarity solution. We note that the experimental findings provide some insight into the brine transport in growing sea ice.
Space Weather affects on Air Transportation
NASA Astrophysics Data System (ADS)
Jones, J. B. L.; Bentley, R. D.; Dyer, C.; Shaw, A.
In Europe, legislation requires the airline industry to monitor the occupational exposure of aircrew to cosmic radiation. However, there are other significant impacts of space weather phenomena on the technological systems used for day-to-day operations which need to be considered by the airlines. These were highlighted by the disruption caused to the industry by the period of significant solar activity in late October and early November 2003. Next generation aircraft will utilize increasingly complex avionics as well as expanding the performance envelopes. These and future generation platforms will require the development of a new air-space management infrastructure with improved position accuracy (for route navigation and landing in bad weather) and reduced separation minima in order to cope with the expected growth in air travel. Similarly, greater reliance will be placed upon satellites for command, control, communication and information (C3I) of the operation. However, to maximize effectiveness of this globally interoperable C3I and ensure seamless fusion of all components for a safe operation will require a greater understanding of the space weather affects, their risks with increasing technology, and the inclusion of space weather information into the operation. This paper will review space weather effects on air transport and the increasing risks for future operations cause by them. We will examine how well the effects can be predicted, some of the tools that can be used and the practicalities of using such predictions in an operational scenario. Initial results from the SOARS ESA Space Weather Pilot Project will also be discussed,
Numerical error in groundwater flow and solute transport simulation
NASA Astrophysics Data System (ADS)
Woods, Juliette A.; Teubner, Michael D.; Simmons, Craig T.; Narayan, Kumar A.
2003-06-01
Models of groundwater flow and solute transport may be affected by numerical error, leading to quantitative and qualitative changes in behavior. In this paper we compare and combine three methods of assessing the extent of numerical error: grid refinement, mathematical analysis, and benchmark test problems. In particular, we assess the popular solute transport code SUTRA [Voss, 1984] as being a typical finite element code. Our numerical analysis suggests that SUTRA incorporates a numerical dispersion error and that its mass-lumped numerical scheme increases the numerical error. This is confirmed using a Gaussian test problem. A modified SUTRA code, in which the numerical dispersion is calculated and subtracted, produces better results. The much more challenging Elder problem [Elder, 1967; Voss and Souza, 1987] is then considered. Calculation of its numerical dispersion coefficients and numerical stability show that the Elder problem is prone to error. We confirm that Elder problem results are extremely sensitive to the simulation method used.
Analytical solutions for anomalous dispersion transport
NASA Astrophysics Data System (ADS)
O'Malley, D.; Vesselinov, V. V.
2014-06-01
Groundwater flow and transport often occur in a highly heterogeneous environment (potentially heterogeneous at multiple spatial scales) and is impacted by geochemical reactions, advection, diffusion, and other pore scale processes. All these factors can give rise to large-scale anomalous dispersive behavior that can make complex model representation and prediction of plume concentrations challenging due to difficulties unraveling all the complexities associated with the governing processes, flow medium, and their parameters. An alternative is to use upscaled stochastic models of anomalous dispersion, and this is the approach used here. Within a probabilistic framework, we derive a number of analytical solutions for several anomalous dispersion models. The anomalous dispersion models are allowed to be either non-Gaussian (α-stable Lévy), correlated, or nonstationary from the Lagrangian perspective. A global sensitivity analysis is performed to gain a greater understanding of the extent to which uncertainty in the parameters associated with the anomalous behavior can be narrowed by examining concentration measurements from a network of monitoring wells and to demonstrate the computational speed of the solutions. The developed analytical solutions are encoded and available for use in the open source computational framework MADS (http://mads.lanl.gov).
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.
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...
Analytical Solutions for Sequentially Reactive Transport with Different Retardation Factors
Sun, Y; Buscheck, T A; Mansoor, K; Lu, X
2001-08-01
Integral transforms have been widely used for deriving analytical solutions for solute transport systems. Often, analytical solutions can only be written in closed form in frequency domains and numerical inverse-transforms have to be involved to obtain semi-analytical solutions in the time domain. For this reason, previously published closed form solutions are restricted either to a small number of species or to the same retardation assumption. In this paper, we applied the solution scheme proposed by Bauer et al. in the time domain. Using available analytical solutions of a single species transport with first-order decay without coupling with its parent species concentration as fundamental solutions, a daughter species concentration can be expressed as a linear function of those fundamental solutions. The implementation of the solution scheme is straight forward and exact analytical solutions are derived for one- and three-dimensional transport systems.
Ground-water solute transport with hydrogeochemical reactions
Garcia-Delgado, R.A.; Koussis, A.D.
1997-03-01
Chemical contamination of ground water is typically associated with multicomponent solutions of reactive substances, the mobility of which is affected by their reactivity. In predicting geochemical transport, it is therefore important that the liquid and solid phase reactions be modeled, along with the flow-controlled processes. This demanding task is typically carried out on powerful computers. Frequently, however, field data are available for a limited number of species, or, a small number of species suffices to characterize ground-water quality. In such cases it is desirable to be able to model the transport on a widely available class of inexpensive computers. The authors report on the development of a 2-D model for the transport of reactive species that runs efficiently on PCs. The model follows a modified one-step procedure that adopts total (aqueous and adsorbed) concentrations and aqueous concentrations of components, and accounts for aqueous complexation and for competitive sorption via isotherms or selectivity coefficients. The use of principal directions of transport coordinates, dimensional splitting, and a specialized algorithm for handling advection-dominated transport render it compact and efficient. Mass conservation is satisfied with high accuracy.
Variables Affecting Two Electron Transport System Assays
Burton, G. Allen; Lanza, Guy R.
1986-01-01
Several methodological variables were critical in two commonly used electron transport activity assays. The dehydrogenase assay based on triphenyl formazan production exhibited a nonlinear relationship between formazan production (dehydrogenase activity) and sediment dilution, and linear formazan production occurred for 1 h in sediment slurries. Activity decreased with increased time of sediment storage at 4°C. Extraction efficiencies of formazan from sediment varied with alcohol type; methanol was unsatisfactory. Phosphate buffer (0.06 M) produced higher activity than did either U.S. Environmental Protection Agency reconstituted hard water or Tris buffer sediment diluents. Intracellular formazan crystals were dissolved within minutes when in contact with immersion oil. Greater crystal production (respiration) detected by a tetrazolium salt assay occurred at increased substrate concentrations. Test diluents containing macrophyte exudates produced greater activity than did phosphate buffer, U.S. Environmental Protection Agency water, or ultrapure water diluents. Both assays showed decreases in sediment or bacterial activity through time. PMID:16347067
A quasilinear model for solute transport under unsaturated flow
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.
BiP negatively affects ricin transport.
Gregers, Tone F; Skånland, Sigrid S; Wälchli, Sébastien; Bakke, Oddmund; Sandvig, Kirsten
2013-05-01
The AB plant toxin ricin binds both glycoproteins and glycolipids at the cell surface via its B subunit. After binding, ricin is endocytosed and then transported retrogradely through the Golgi to the endoplasmic reticulum (ER). In the ER, the A subunit is retrotranslocated to the cytosol in a chaperone-dependent process, which is not fully explored. Recently two separate siRNA screens have demonstrated that ER chaperones have implications for ricin toxicity. ER associated degradation (ERAD) involves translocation of misfolded proteins from ER to cytosol and it is conceivable that protein toxins exploit this pathway. The ER chaperone BiP is an important ER regulator and has been implicated in toxicity mediated by cholera and Shiga toxin. In this study, we have investigated the role of BiP in ricin translocation to the cytosol. We first show that overexpression of BiP inhibited ricin translocation and protected cells against the toxin. Furthermore, shRNA-mediated depletion of BiP enhanced toxin translocation resulting in increased cytotoxicity. BiP-dependent inhibition of ricin toxicity was independent of ER stress. Our findings suggest that in contrast to what was shown with the Shiga toxin, the presence of BiP does not facilitate, but rather inhibits the entry of ricin into the cytosol. PMID:23666197
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…
Solute transporters in plant thylakoid membranes
Schoefs, Benoît
2010-01-01
Plants utilize sunlight to drive photosynthetic energy conversion in the chloroplast thylakoid membrane. Here are located four major photosynthetic complexes, about which we have great knowledge in terms of structure and function. However, much less we know about auxiliary proteins, such as transporters, ensuring an optimum function and turnover of these complexes. The most prominent thylakoid transporter is the proton-translocating ATP-synthase. Recently, four additional transporters have been identified in the thylakoid membrane of Arabidopsis thaliana, namely one copper-transporting P-ATPase, one chloride channel, one phosphate transporter, and one ATP/ADP carrier. Here, we review the current knowledge on the function and physiological role of these transporters during photosynthesis and light stress in plants. Subsequently, we make a survey on the outlook of thylakoid activities awaiting identification of responsible proteins. Such knowledge is necessary to understand the thylakoid network of transporters, and to design strategies for bioengineering crop plants in the future. PMID:20585503
Waniewski, Jacek; Antosiewicz, Stefan; Baczynski, Daniel; Poleszczuk, Jan; Pietribiasi, Mauro; Lindholm, Bengt; Wankowicz, Zofia
2016-01-01
During peritoneal dialysis (PD), the peritoneal membrane undergoes ageing processes that affect its function. Here we analyzed associations of patient age and dialysis vintage with parameters of peritoneal transport of fluid and solutes, directly measured and estimated based on the pore model, for individual patients. Thirty-three patients (15 females; age 60 (21-87) years; median time on PD 19 (3-100) months) underwent sequential peritoneal equilibration test. Dialysis vintage and patient age did not correlate. Estimation of parameters of the two-pore model of peritoneal transport was performed. The estimated fluid transport parameters, including hydraulic permeability (LpS), fraction of ultrasmall pores (α u), osmotic conductance for glucose (OCG), and peritoneal absorption, were generally independent of solute transport parameters (diffusive mass transport parameters). Fluid transport parameters correlated whereas transport parameters for small solutes and proteins did not correlate with dialysis vintage and patient age. Although LpS and OCG were lower for older patients and those with long dialysis vintage, αu was higher. Thus, fluid transport parameters--rather than solute transport parameters--are linked to dialysis vintage and patient age and should therefore be included when monitoring processes linked to ageing of the peritoneal membrane. PMID:26989432
Waniewski, Jacek; Antosiewicz, Stefan; Baczynski, Daniel; Poleszczuk, Jan; Pietribiasi, Mauro; Lindholm, Bengt; Wankowicz, Zofia
2016-01-01
During peritoneal dialysis (PD), the peritoneal membrane undergoes ageing processes that affect its function. Here we analyzed associations of patient age and dialysis vintage with parameters of peritoneal transport of fluid and solutes, directly measured and estimated based on the pore model, for individual patients. Thirty-three patients (15 females; age 60 (21–87) years; median time on PD 19 (3–100) months) underwent sequential peritoneal equilibration test. Dialysis vintage and patient age did not correlate. Estimation of parameters of the two-pore model of peritoneal transport was performed. The estimated fluid transport parameters, including hydraulic permeability (LpS), fraction of ultrasmall pores (αu), osmotic conductance for glucose (OCG), and peritoneal absorption, were generally independent of solute transport parameters (diffusive mass transport parameters). Fluid transport parameters correlated whereas transport parameters for small solutes and proteins did not correlate with dialysis vintage and patient age. Although LpS and OCG were lower for older patients and those with long dialysis vintage, αu was higher. Thus, fluid transport parameters—rather than solute transport parameters—are linked to dialysis vintage and patient age and should therefore be included when monitoring processes linked to ageing of the peritoneal membrane. PMID:26989432
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.
Biological solutions to transport network design.
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
Solute Transport Across a Contact Interface in Deformable Porous Media
Ateshian, Gerard A.; Maas, Steve; Weiss, Jeffrey A.
2012-01-01
A finite element formulation of neutral solute transport across a contact interface between deformable porous media is implemented and validated against analytical solutions. By reducing the integral statements of external virtual work on the two contacting surfaces into a single contact integral, the algorithm automatically enforces continuity of solute molar flux across the contact interface, whereas continuity of the effective solute concentration (a measure of the solute mechano-chemical potential) is achieved using a penalty method. This novel formulation facilitates the analysis of problems in biomechanics where the transport of metabolites across contact interfaces of deformable tissues may be of interest. This contact algorithm is the first to address solute transport across deformable interfaces, and is made available in the public domain, open-source finite element code FEBio (http://mrl.sci.utah.edu/software). PMID:22281406
Solute transport across a contact interface in deformable porous media.
Ateshian, Gerard A; Maas, Steve; Weiss, Jeffrey A
2012-04-01
A finite element formulation of neutral solute transport across a contact interface between deformable porous media is implemented and validated against analytical solutions. By reducing the integral statements of external virtual work on the two contacting surfaces into a single contact integral, the algorithm automatically enforces continuity of solute molar flux across the contact interface, whereas continuity of the effective solute concentration (a measure of the solute mechano-chemical potential) is achieved using a penalty method. This novel formulation facilitates the analysis of problems in biomechanics where the transport of metabolites across contact interfaces of deformable tissues may be of interest. This contact algorithm is the first to address solute transport across deformable interfaces, and is made available in the public domain, open-source finite element code FEBio (http://www.febio.org). PMID:22281406
Transport of Organic Solutes in Clay Formations
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...
Nanoparticle characteristics affecting environmental fate and transport through soil.
Darlington, Thomas K; Neigh, Arianne M; Spencer, Matthew T; Nguyen, Oanh T; Oldenburg, Steven J
2009-06-01
Nanoparticles are being used in broad range of applications; therefore, these materials probably will enter the environment during their life cycle. The objective of the present study is to identify changes in properties of nanoparticles released into the environment with a case study on aluminum nanoparticles. Aluminum nanoparticles commonly are used in energetic formulations and may be released into the environment during their handling and use. To evaluate the transport of aluminum nanoparticles, it is necessary not only to understand the properties of the aluminum in its initial state but also to determine how the nanoparticle properties will change when exposed to relevant environmental conditions. Transport measurements were conducted with a soil-column system that delivers a constant upflow of a suspension of nanoparticles to a soil column and monitors the concentration, size, agglomeration state, and charge of the particles in the eluent. The type of solution and surface functionalization had a marked effect on the charge, stability, and agglomeration state of the nanoparticles, which in turn impacted transport through the receiving matrix. Transport also is dependent on the size of the nanoparticles, although it is the agglomerate size, not the primary size, that is correlated with transportability. Electrostatically induced binding events of positively charged aluminum nanoparticles to the soil matrix were greater than those for negatively charged aluminum nanoparticles. Many factors influence the transport of nanoparticles in the environment, but size, charge, and agglomeration rate of nanoparticles in the transport medium are predictive of nanoparticle mobility in soil. PMID:19175296
Effects of Soil Behavior on Solute Transport in Groundwater
NASA Astrophysics Data System (ADS)
Jeng, Dong-Sheng; Zhang, Huijie
2010-05-01
The evaluation of solute transport in groundwater is particularly important for environmental engineers involved in the design of urban environments. In general, the simulation of solute transport in porous medium has been linked with fluid flow, which has commonly based on Darcy law. Unlike previous work, we use a more generalized fluid flow model with poro-elastic theory, in which Darcy model is one of its special cases. The new feature of the new model is the inclusion of soil characteristics and behavior in the prediction of solute transport in aquifers. Based on the new model, numerical example demonstrates significant influence of poro-elastic soil behavior on the movement of zone of peak concentration of solute in groundwater.
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.
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.
George J. Moridis
2001-10-01
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 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.
Field monitoring of water flow and solute transport under different manure amendments.
Technology Transfer Automated Retrieval System (TEKTRAN)
Organic matter (OM) affects water flow and solute transport in the vadose zone. The main objective of this work was to study the effects of different OM types (dairy and chicken manure), rates (O, 168, 336, and 672 kg/ha total equivalent Nitrogen), and levels (one and two time applications) on water...
End-Member Formulation of Solid Solutions and Reactive Transport
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.
Insights into non-Fickian solute transport in carbonates
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
Larsen, Erik Hviid; Sørensen, Jakob Balslev; Sørensen, Jens Nørkær
2000-01-01
A mathematical model of an absorbing leaky epithelium is developed for analysis of solute coupled water transport. The non-charged driving solute diffuses into cells and is pumped from cells into the lateral intercellular space (lis). All membranes contain water channels with the solute passing those of tight junction and interspace basement membrane by convection-diffusion. With solute permeability of paracellular pathway large relative to paracellular water flow, the paracellular flux ratio of the solute (influx/outflux) is small (2–4) in agreement with experiments. The virtual solute concentration of fluid emerging from lis is then significantly larger than the concentration in lis. Thus, in absence of external driving forces the model generates isotonic transport provided a component of the solute flux emerging downstream lis is taken up by cells through the serosal membrane and pumped back into lis, i.e., the solute would have to be recirculated. With input variables from toad intestine (Nedergaard, S., E.H. Larsen, and H.H. Ussing, J. Membr. Biol. 168:241–251), computations predict that 60–80% of the pumped flux stems from serosal bath in agreement with the experimental estimate of the recirculation flux. Robust solutions are obtained with realistic concentrations and pressures of lis, and with the following features. Rate of fluid absorption is governed by the solute permeability of mucosal membrane. Maximum fluid flow is governed by density of pumps on lis-membranes. Energetic efficiency increases with hydraulic conductance of the pathway carrying water from mucosal solution into lis. Uphill water transport is accomplished, but with high hydraulic conductance of cell membranes strength of transport is obscured by water flow through cells. Anomalous solvent drag occurs when back flux of water through cells exceeds inward water flux between cells. Molecules moving along the paracellular pathway are driven by a translateral flow of water, i.e., the model
Solute transport in eroded and rehabilitated prairie landforms. 1. Nonreactive solute.
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
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).
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...
Analytical model of solute transport by unsteady unsaturated gravitational infiltration.
Lessoff, S C; Indelman, P
2004-08-01
Penetration of reactive solute into a soil during a cycle of water infiltration and redistribution is investigated by deriving analytical closed form solutions for fluid flux, moisture content and contaminant concentration. The solution is developed for gravitational flow and advective transport and is applied to two scenarios of solute applications encountered in the applications: a finite pulse of solute dissolved in irrigation water and an instantaneous pulse broadcasted onto the soil surface. Through comparison to simulations of Richards' flow, capillary suction is shown to have contrasting effects on the upper and lower boundaries of the fluid pulse, speeding penetration of the wetting front and reducing the rate of drying. This leads to agreement between the analytical and numerical solutions for typical field and experimental conditions. The analytical solution is further incorporated into a stochastic column model of flow and transport to compute mean solute concentration in a heterogeneous field. An unusual phenomenon of plume contraction is observed at long times of solute propagation during the drying stage. The mean concentration profiles match those of the Monte-Carlo simulations for capillary length scales typical of sandy soils. PMID:15240168
Sasabe, Hiroyuki; Shimokawa, Yoshihiko; Shibata, Masakazu; Hashizume, Kenta; Hamasako, Yusuke; Ohzone, Yoshihiro; Kashiyama, Eiji; Umehara, Ken
2016-06-01
Delamanid (Deltyba, OPC-67683) is the first approved drug in a novel class of nitro-dihydro-imidazooxazoles developed for the treatment of multidrug-resistant tuberculosis. Patients with tuberculosis require treatment with multiple drugs, several of which have known drug-drug interactions. Transporters regulate drug absorption, distribution, and excretion; therefore, the inhibition of transport by one agent may alter the pharmacokinetics of another, leading to unexpected adverse events. Therefore, it is important to understand how delamanid affects transport activity. In the present study, the potencies of delamanid and its main metabolites as the substrates and inhibitors of various transporters were evaluated in vitro Delamanid was not transported by the efflux ATP-binding cassette (ABC) transporters P-glycoprotein (P-gp; MDR1/ABCB1) and breast cancer resistance protein (BCRP/ABCG2), solute carrier (SLC) transporters, organic anion-transporting polypeptides, or organic cation transporter 1. Similarly, metabolite 1 (M1) was not a substrate for any of these transporters except P-gp. Delamanid showed no inhibitory effect on ABC transporters MDR1, BCRP, and bile salt export pump (BSEP; ABCB11), SLC transporters, or organic anion transporters. M1 and M2 inhibited P-gp- and BCRP-mediated transport but did so only at the 50% inhibitory concentrations (M1, 4.65 and 5.71 μmol/liter, respectively; M2, 7.80 and 6.02 μmol/liter, respectively), well above the corresponding maximum concentration in plasma values observed following the administration of multiple doses in clinical trials. M3 and M4 did not affect the activities of any of the transporters tested. These in vitro data suggest that delamanid is unlikely to have clinically relevant interactions with drugs for which absorption and disposition are mediated by this group of transporters. PMID:27021329
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.
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.
The secret to successful solute-transport modeling.
Konikow, Leonard F
2011-01-01
Modeling subsurface solute transport is difficult-more so than modeling heads and flows. The classical governing equation does not always adequately represent what we see at the field scale. In such cases, commonly used numerical models are solving the wrong equation. Also, the transport equation is hyperbolic where advection is dominant, and parabolic where hydrodynamic dispersion is dominant. No single numerical method works well for all conditions, and for any given complex field problem, where seepage velocity is highly variable, no one method will be optimal everywhere. Although we normally expect a numerically accurate solution to the governing groundwater-flow equation, errors in concentrations from numerical dispersion and/or oscillations may be large in some cases. The accuracy and efficiency of the numerical solution to the solute-transport equation are more sensitive to the numerical method chosen than for typical groundwater-flow problems. However, numerical errors can be kept within acceptable limits if sufficient computational effort is expended. But impractically long simulation times may promote a tendency to ignore or accept numerical errors. One approach to effective solute-transport modeling is to keep the model relatively simple and use it to test and improve conceptual understanding of the system and the problem at hand. It should not be expected that all concentrations observed in the field can be reproduced. Given a knowledgeable analyst, a reasonable description of a hydrogeologic framework, and the availability of solute-concentration data, the secret to successful solute-transport modeling may simply be to lower expectations. PMID:21039449
A fracture network model for water flow and solute transport
Robinson, B.A.
1989-01-01
This paper summarizes code development work and sample calculations for FRACNET, a two-dimensional steady state simulator of fluid flow and solute transport in fractured porous media. The model analyzes flow and transport by generating a fracture network based on statistical characteristics of fractures obtained from well logs and other data. After a network is generated, flow and tracer transport are computed for appropriate boundary conditions and wellbore source/sink terms. In addition, for a given realization, the code can be used to indicate whether the medium can be treated as an equivalent porous medium. 18 refs., 7 figs.
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.
A gravimetric experiment was undertaken to identify the factors affecting solvent evaporation from analytical reference standard solutions and to establish the magnitude of the resultant solvent evaporation. The evaporation of organic solvent from standard solutions is affected b...
Insights into non-Fickian solute transport in carbonates
NASA Astrophysics Data System (ADS)
Bijeljic, Branko; Mostaghimi, Peyman; Blunt, Martin J.
2013-05-01
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.
Continuous time random walk analysis of solute transport in fractured porous media
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.
Effect of proteolytic enzymes on transepithelial solute transport
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.
Simulation of transportation of low enriched uranium solutions
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.
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.
Heterogeneous solute transport in a tile-drained field
NASA Astrophysics Data System (ADS)
Basile, A.; Comegna, A.; Coppola, A.; Hassan, S.; Haikal, M. A.; Kassab, M.; Lamaddalena, N.
2009-04-01
Preferential flow and its diverse attributes: i) macropore flow; ii) fingered flow; iii) funnel flow, cannot be described by a single process hypothesis and are unpredictable from a priori analysis of field characteristics due to the inability of sampling methods to capture minute features triggering such flows. Most solute transport techniques are expensive and require extensive soil disturbance. Moreover, solute transport in heterogeneous porous media cannot always be conceptualized as being either a convective-dispersive or a stochastic-convective process. One approach to predict subsurface leaching could be the coupling of near surface measurements with a generalized transport model. A steady state field tracer experiment was conducted on a tile-drained "Terra Rossa" plot located in Valenzano (Bari - Italy), to test whether TDR BTCs measured 1 m a part along a transect of 40 m can be used in such a way for accurate prediction of tile's BTC. A Generalized Transfer Function (GTF) (Zhang, 2000) was fitted to the observed concentration a three depths for each site along the transect to identify the transfer function parameters. To account for vertical transport in the unsaturated zone and lateral divergence near the tile, these parameters were used in a 2D model (Utermann, 1990) to predict earlier breakthrough of tile flux concentration. The 2D model predictions of the flux concentrations were similar to the observed values, nearly reproducing the channel-like nature of solute flow.
Conservative and reactive solute transport in constructed wetlands
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%).
Hydrogeochemistry and simulated solute transport, Piceance Basin, northwestern Colorado
Robson, S.G.; Saulnier, G.J., Jr.
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)
Hydrogeochemistry and simulated solute transport, Piceance Basin, northwestern Colorado
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)
Solute transport in dual-permeability porous media
NASA Astrophysics Data System (ADS)
Leij, Feike J.; Toride, Nobuo; Field, Malcolm S.; Sciortino, Antonella
2012-04-01
A dual-advection dispersion equation (DADE) is presented and solved to describe solute transport in structured or layered porous media with different nonzero flow rates in two distinct pore domains with linear solute transfer between them. This dual-permeability model constitutes a generalized version of the advection-dispersion equation (ADE) for transport in uniform porous media and the mobile-immobile model (MIM) for transport in media with a mobile and an immobile pore domain. Analytical tools for the DADE have mostly been lacking. An analytical solution has therefore been derived using Laplace transformation with time and modal decomposition based on matrix diagonalization, assuming the same dispersivity for both domains. Temporal moments are derived for the DADE and contrasted with those for the ADE and the MIM. The effective dispersion coefficient for the DADE approaches that of the ADE for a similar velocity in both pore domains and large values for the first-order transfer parameter, and approaches that of the MIM for the opposite conditions. The solution of the DADE is used to illustrate how differences in pore water velocity between the domains and low transfer rates will lead to double peaks in the volume- or flux-averaged concentration profiles versus time or position. The DADE is applied to optimize experimental breakthrough curves for an Andisol with a distinct intra- and interaggregate porosity. The DADE improved the description of the breakthrough data compared to the ADE and the MIM.
Stochastic analysis of transport of conservative solutes in caisson experiments
Dagan, G.
1995-02-01
The Los Alamos National Laboratory has conducted in the past a series of experiments of transport of conservative and reactive solutes. The experimental setup and the experimental results are presented in a series of reports. The main aim of the experiments was to validate models of transport of solutes in unsaturated flow at the caisson intermediate scale, which is much larger than the one pertaining to laboratory columns. First attempts to analyze the experimental results were by one-dimensional convective-dispersion models. These models could not explain the observed solute breakthrough curves and particularly the large solute dispersion in the caisson effluent Since there were some question marks about the uniformity of water distribution at the caisson top, the transport experiments were repeated under conditions of saturated flow. In these experiments constant heads were applied at the top and the bottom of the caisson and the number of concentration monitoring stations was quadrupled. The analysis of the measurements by the same one-dimensional model indicated clearly that the fitted dispersivity is much larger than the pore-sole dispersivity and that it grows with the distance in an approximately linear fashion. This led to the conclusion, raised before, that transport in the caisson is dominated by heterogeneity effects, i.e. by spatial variability of the material Such effects cannot be captured by traditional one-dimensional models. In order to account for the effect of heterogeneity, the saturated flow experiments have been analyzed by using stochastic transport modeling. The apparent linear growth of dispersivity with distance suggested that the system behaves like a stratified one. Consequently, the model of Dagan and Bresier has been adopted in order to interpret concentration measurements. In this simple model the caisson is viewed as a bundle of columns of different permeabilities, which are characterized by a p.d.f. (probability denasity function).
Generic transport coefficients of a confined electrolyte solution.
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. PMID:25493746
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.
Technology Transfer Automated Retrieval System (TEKTRAN)
Traditionally, a two-parameter partial differential equation has been used to describe the one-dimensional convective-dispersive transport of chemicals in field soils. The parameters in this equation include the dispersion coefficient and a distribution coefficient, the latter accounting for interac...
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
Radial reactive solute transport in an aquifer-aquitard system
NASA Astrophysics Data System (ADS)
Wang, Quanrong; Zhan, Hongbin
2013-11-01
Radial reactive transport is investigated in an aquifer-aquitard system considering the important processes such as advection, radial and vertical dispersions for the aquifer, vertical advection and dispersion for the aquitards, and first-order biodegradation or radioactive decay. We solved the coupled governing equations of transport in the aquifer and the aquitards by honoring the continuity of concentration and mass flux across the aquifer-aquitard interfaces and recognizing the concentration variation along the aquifer thickness. This effort improved the averaged-approximation (AA) model, which dealt with radial dispersion in an aquifer-aquitard system by excluding the aquitard advection. To compare with our new solution, we expanded the AA model by including the aquitard advection. The expanded AA model considerably overestimated the mass in the upper aquitard when an upward advection existed there. The rates of mass change in the upper aquitard from the new solution and the AA model solution increased with time following sub-linear fashions. The times corresponding to the peak values of the residence time distributions for the AA model, the expanded AA model, and the new model were almost the same. The residence time distributions seemed to follow the Maxwell-Boltzmann distribution closely when plotting the time in logarithmic scale. In addition, we developed a finite-element COMSOL Multiphysics simulation of the problem, and found that the COMSOL solution agreed with the new solution well.
EFFECTIVE POROSITY IMPLIES EFFECTIVE BULK DENSITY IN SORBING SOLUTE TRANSPORT
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.
Some Exact Solutions in Energy Dependent Transport Theory
NASA Astrophysics Data System (ADS)
Williams, M. M. R.
1980-01-01
Some exact solutions are obtained for energy dependent slowing down problems with energy dependent cross sections. The transport equation is solved using the backward-forward model of Fermi. Also studied is the energy dependent diffusion equation. Using these models, and a novel technique involving difference equations, it has been possible to find explicit, and numerically useful, solutions for slowing down from a plane, monoenergetic source in an infinite medium. The slowing down density and the energy deposition function are obtained which are of value in reactor physics and radiation damage calculations.
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.
Scaling of geochemical reaction rates via advective solute transport.
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
Scaling of geochemical reaction rates via advective solute transport
NASA Astrophysics Data System (ADS)
Hunt, A. G.; Ghanbarian, B.; Skinner, T. E.; Ewing, R. P.
2015-07-01
Transport in porous media is quite complex, and still yields occasional surprises. In geological porous media, the rate at which chemical reactions (e.g., weathering and dissolution) occur is found to diminish by orders of magnitude with increasing time or distance. The temporal rates of laboratory experiments and field observations differ, and extrapolating from laboratory experiments (in months) to field rates (in millions of years) can lead to order-of-magnitude errors. The reactions are transport-limited, but characterizing them using standard solute transport expressions can yield results in agreement with experiment only if spurious assumptions and parameters are introduced. We previously developed a theory of non-reactive solute transport based on applying critical path analysis to the cluster statistics of percolation. The fractal structure of the clusters can be used to generate solute distributions in both time and space. Solute velocities calculated from the temporal evolution of that distribution have the same time dependence as reaction-rate scaling in a wide range of field studies and laboratory experiments, covering some 10 decades in time. The present theory thus both explains a wide range of experiments, and also predicts changes in the scaling behavior in individual systems with increasing time and/or length scales. No other theory captures these variations in scaling by invoking a single physical mechanism. Because the successfully predicted chemical reactions include known results for silicate weathering rates, our theory provides a framework for understanding changes in the global carbon cycle, including its effects on extinctions, climate change, soil production, and denudation rates. It further provides a basis for understanding the fundamental time scales of hydrology and shallow geochemistry, as well as the basis of industrial agriculture.
In dealing with problems related to land-based nuclear waste management, a number of analytical and approximate solutions were developed to quantify radionuclide transport through fractures contained in the porous formation. t has been reported that by treating the radioactive de...
SOLUTIONS APPROXIMATING SOLUTE TRANSPORT IN A LEAKY AQUIFER RECEIVING WASTEWATER INJECTION
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 ...
SOLUTIONS APPROXIMATING SOLUTE TRANSPORT IN A LEAKY AQUIFER RECEIVING WASTEWATER INJECTION
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. teady state gro...
Hydrophilic solute transport across the rat blood-brain barrier
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.
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.
Technology Transfer Automated Retrieval System (TEKTRAN)
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 eff...
Analytical solution of two-dimensional solute transport in an aquifer-aquitard system.
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
JOVIAN STRATOSPHERE AS A CHEMICAL TRANSPORT SYSTEM: BENCHMARK ANALYTICAL SOLUTIONS
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.
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.
Role of ABC and Solute Carrier Transporters in the Placental Transport of Lamivudine.
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
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.
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.
Seismic reflection characteristics of naturally-induced subsidence affecting transportation
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.
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.
NASA Astrophysics Data System (ADS)
Mohammadi, Mohammad Hossein; Vanclooster, Marnik
2012-05-01
Solute transport in partially saturated soils is largely affected by fluid velocity distribution and pore size distribution within the solute transport domain. Hence, it is possible to describe the solute transport process in terms of the pore size distribution of the soil, and indirectly in terms of the soil hydraulic properties. In this paper, we present a conceptual approach that allows predicting the parameters of the Convective Lognormal Transfer model from knowledge of soil moisture and the Soil Moisture Characteristic (SMC), parameterized by means of the closed-form model of Kosugi (1996). It is assumed that in partially saturated conditions, the air filled pore volume act as an inert solid phase, allowing the use of the Arya et al. (1999) pragmatic approach to estimate solute travel time statistics from the saturation degree and SMC parameters. The approach is evaluated using a set of partially saturated transport experiments as presented by Mohammadi and Vanclooster (2011). Experimental results showed that the mean solute travel time, μt, increases proportionally with the depth (travel distance) and decreases with flow rate. The variance of solute travel time σ2t first decreases with flow rate up to 0.4-0.6 Ks and subsequently increases. For all tested BTCs predicted solute transport with μt estimated from the conceptual model performed much better as compared to predictions with μt and σ2t estimated from calibration of solute transport at shallow soil depths. The use of μt estimated from the conceptual model therefore increases the robustness of the CLT model in predicting solute transport in heterogeneous soils at larger depths. In view of the fact that reasonable indirect estimates of the SMC can be made from basic soil properties using pedotransfer functions, the presented approach may be useful for predicting solute transport at field or watershed scales.
Modeling solute transport by DLA in soils of northeastern Egypt.
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
Modeling Solute Transport by DLA in Soils of Northeastern Egypt
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
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
Soil properties and preferential solute transport at the field scale
NASA Astrophysics Data System (ADS)
Koestel, J. K.; Luong, N. M.; Nørgaard, T.; Vendelboe, A. L.; Moldrup, P.; Jarvis, N. J.; Lamandé, M.; Iversen, B. V.; Wollesen de Jonge, L.
2012-04-01
An important fraction of water flow and solute transport through soil takes place through preferential flow paths. Although this had been already observed in the nineteenth century, it had been forgotten by the scientific community until it was rediscovered during the 1970s. The awareness of the relevance of preferential flow was broadly re-established in the community by the early 1990s. However, since then, the notion remains widespread among soil scientists that the occurrence and strength of preferential flow cannot be predicted from measurable proxy variables such as soil properties or land management practices (e.g. Beven, K., 1991, Modeling preferential flow - an uncertain future, Preferential Flow, 1-11). In our study, we present evidence that disproves this notion. We evaluated breakthrough curve experiments under a constant irrigation rate of 1 cm/h conducted on 65 soil columns (20 cm diameter and 20 height) which had been sampled from an approximately 1 ha large loamy field-site in Silstrup, Denmark. We show that the holdback factor, which is an indicator for the strength of preferential transport, is strongly correlated to the bulk density, which in turn is correlated to the organic matter content. By applying multiple linear regression in a bootstrapping framework, we could estimate the holdback factor from the bulk density and the very fine sand fraction with a coefficient of determination of 0.65. Our results raise hopes that it is indeed possible to establish pedotransfer functions for soil susceptibility to preferential flow and transport.
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.
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...
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
Bencala, K.E.
1984-01-01
Solute transport in streams is determined by the interaction of physical and chemical processes. Data from an injection experiment for chloride and several cations indicate significant influence of solute-streambed processes on transport in a mountain stream. These data are interpreted in terms of transient storage processes for all tracers and sorption processes for the cations. Process parameter values are estimated with simulations based on coupled quasi-two-dimensional transport and first-order mass transfer sorption. Comparative simulations demonstrate the relative roles of the physical and chemical processes in determining solute transport. -from Author
A comparison of solute-transport solution techniques based on inverse modelling results
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
Nutrient transport as affected by rate of overland flow
Technology Transfer Automated Retrieval System (TEKTRAN)
Little information is currently available concerning the effects of varying flow rate on nutrient transport by overland flow. The objective of this study was to measure the effects of overland flow rate on nutrient transport following the application of beef cattle or swine manure to plots containin...
Technology Transfer Automated Retrieval System (TEKTRAN)
Understanding and modeling transport of solutes in porous media is a critical issue in the environmental protection. Contaminants from various industrial and agricultural sources can travel in soil and ground water and eventually affect human and animal health. The parabolic advective-dispersive equ...
Effects of isotope selection on solution convergence in HZE transport
NASA Technical Reports Server (NTRS)
Kim, Myung-Hee Y.; Wilson, John W.; Kiefer, Richard L.; Thibeault, Sheila A.
1994-01-01
A fragmenting iron ion produces hundreds of isotopes during nuclear reactions. These isotopes are represented in the solution of the transport problem. A reduced set of isotopes is selected to minimize the computational burden but introduces error in the final result. A minimum list of 122 isotopes is required for adequate representation of the mass and charge distributions of the secondary radiation fields. A reduced set of 80 isotopes is sufficient to represent the charge distribution alone and represents reasonably well the linear energy transfer properties of the iron beam. Because iron fragmentation produces nearly every isotope lighter than iron, the resulting 122-isotope list should be adequate for ion beams with charges equal to or less than 26.
Uncertainty and Sensitivity Analyses of Model Predictions of Solute Transport
NASA Astrophysics Data System (ADS)
Skaggs, T. H.; Suarez, D. L.; Goldberg, S. R.
2012-12-01
Soil salinity reduces crop production on about 50% of irrigated lands worldwide. One roadblock to increased use of advanced computer simulation tools for better managing irrigation water and soil salinity is that the models usually do not provide an estimate of the uncertainty in model predictions, which can be substantial. In this work, we investigate methods for putting confidence bounds on HYDRUS-1D simulations of solute leaching in soils. Uncertainties in model parameters estimated with pedotransfer functions are propagated through simulation model predictions using Monte Carlo simulation. Generalized sensitivity analyses indicate which parameters are most significant for quantifying uncertainty. The simulation results are compared with experimentally observed transport variability in a number of large, replicated lysimeters.
An exact solution of solute transport by one-dimensional random velocity fields
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.
Hierarchical Adaptive Solution of Radiation Transport Problems on Unstructured Grids
Dr. Cassiano R. E de Oliveira
2008-06-30
Computational radiation transport has steadily gained acceptance in the last decade as a viable modeling tool due to the rapid advancements in computer software and hardware technologies. It can be applied for the analysis of a wide range of problems which arise in nuclear reactor physics, medical physics, atmospheric physics, astrophysics and other areas of engineering physics. However, radiation transport is an extremely chanllenging computational problem since the governing equation is seven-deimensional (3 in space, 2 in direction, 1 in energy, and 1 in time) with a high degree of coupleing betwen these variables. If not careful, this relatively large number of independent variables when discretized can potentially lead to sets of linear equations of intractable size. Though parallel computing has allowed the solution of very large problems, avaliable computational resources will always be finite due to the fact that every more sophisticated multiphysics models are being demanded by industry. There is thus the pressing requirement to optimize the discretizations so as to minimize the effort and maximize the accuracy.
Improved parallel solution techniques for the integral transport matrix method
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.
Soltanian, Mohamad Reza; Ritzi, Robert W; Dai, Zhenxue; Huang, Chao Cheng
2015-03-01
Physical and chemical heterogeneities have a large impact on reactive transport in porous media. Examples of heterogeneous attributes affecting reactive mass transport are the hydraulic conductivity (K), and the equilibrium sorption distribution coefficient (Kd). This paper uses the Deng et al. (2013) conceptual model for multimodal reactive mineral facies and a Lagrangian-based stochastic theory in order to analyze the reactive solute dispersion in three-dimensional anisotropic heterogeneous porous media with hierarchical organization of reactive minerals. An example based on real field data is used to illustrate the time evolution trends of reactive solute dispersion. The results show that the correlation between the hydraulic conductivity and the equilibrium sorption distribution coefficient does have a significant effect on reactive solute dispersion. The anisotropy ratio does not have a significant effect on reactive solute dispersion. Furthermore, through a sensitivity analysis we investigate the impact of changing the mean, variance, and integral scale of K and Kd on reactive solute dispersion. PMID:25532767
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.
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.
TRANSPORT OF NEUTRAL SOLUTE IN ARTICULAR CARTILAGE: EFFECT OF MICROSTRUCTURE ANISOTROPY
Zhang, Le; Szeri, Andras Z.
2008-01-01
Due to the avascular nature of articular cartilage, solute transport through its extracellular matrix is critical for the maintenance and the functioning of the tissue. What’s more, diffusion of macromolecules may be affected by the microstructure of the extracellular matrix in both undeformed and deformed cartilage and experiments demonstrate diffusion anisotropy in the case of large solute. However, these phenomena have not received sufficient theoretical attention to date. We hypothesize here that the diffusion anisotropy of macromolecules is brought about by the particular microstructure of the cartilage network. Based on this hypothesis, we then propose a mathematical model that correlates the diffusion coefficient tensor with the structural orientation tensor of the network. This model is shown to be successful in describing anisotropic diffusion of macromolecules in undeformed tissue and is capable of clarifying the effects of network reorientation as the tissue deforms under mechanical load. Additionally, our model explains the anomaly that at large strain, in a cylindrical plug under unconfined compression, solute diffusion in the radial direction increases with strain. Our results indicate that in cartilage the degree of diffusion anisotropy is site specific but depends also on the size of the diffusing molecule. Mechanical loading initiates and/or further exacerbates this anisotropy. At small deformation, solute diffusion is near isotropic in a tissue that is isotropic in its unstressed state, becoming anisotropic as loading progresses. Mechanical loading leads to an attenuation of solute diffusion in all directions when deformation is small. However, loading, if it is high enough, enhances solute transport in the direction perpendicular to the load line, instead of inhibiting it. PMID:17889882
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...
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.
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
Long range transport of colloids in aqueous solutions
NASA Astrophysics Data System (ADS)
Florea, Daniel; Musa, Sami; Huyghe, Jacques M. R. J.; Wyss, Hans M.
2013-03-01
Colloids in aqueous suspensions can experience strong, extremely long range repulsive forces near interfaces such as biological tissues, gels, ion exchange resins or metals. As a result exclusion zones extending over several millimeters can be formed. While this phenomenon has been previously described, a physical understanding of this process is still lacking. This exclusion zone formation is puzzling because the typical forces acting on colloidal particles are limited to much shorter distances and external fields that could drive the particles are absent. Here we study the exclusion zone formation in detail by following the time and distance-dependent forces acting on the particles. We present a simple model that accounts for our experimental data and directly links the exclusion zone formation to an already known physical transport phenomenon. We show that the effect can be tuned by changing the zeta potential of the particles or by varying the species present in the aqueous solution. We thus provide a direct physical explanation for the intriguing exclusion zone formation and we illustrate how this effect can be exploited in a range of industrial applications.
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
Nüsing, Rolf M; Schweer, Horst; Fleming, Ingrid; Zeldin, Darryl C; Wegmann, Markus
2007-07-01
We investigated the effects of epoxyeicosatrienoic acids (EETs) on ion transport in the polarized renal distal tubular cell line, Madin-Darby canine kidney (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 (I(sc)) 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. Furthermore, both a Cl(-)-free bath solution and the Ca(2+) antagonist verapamil blocked 5,6-EET-induced ion transport. Although the presence of the PGE(2) receptors EP2, EP3, and EP4 was demonstrated, apically added PGE(2) was ineffective and basolaterally added PGE(2) caused a different kinetics in ion transport compared with 5,6-EET. Moreover, PGE(2) synthesis 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-PGE(1) in 5,6-EET-treated cells, but not in control cells. Indomethacin suppressed the formation of 5,6-dihydroxy-PGE(1). 5,6-Epoxy-PGE(1), the precursor of 5,6-dihydroxy-PGE(1), caused a similar ion transport as 5,6-EET. Cytochrome P-450 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 PGE(2) but by a mechanism, dependent on its conversion to 5,6-epoxy-PGE(1) 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
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
Semianalytical Solutions of Radioactive or Reactive Tracer Transport in Layered Fractured Media
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.
Semianalytical solutions of radioactive or reactive tracer transport in layered fractured media
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.
A Functional-Phylogenetic Classification System for Transmembrane Solute Transporters
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
PROCESSES AFFECTING SUBSURFACE TRANSPORT OF LEAKING UNDERGROUND STORAGE TANK FLUIDS
The document focuses solely on the process affecting migration of fluids from a leaking tank and their effects on monitoring methodologies. Based upon the reviews presented, soil heterogeneities and the potential for multiphase flow will lead to high monitoring uncertainties if l...
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. PMID:27182791
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.
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.
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
Technology Transfer Automated Retrieval System (TEKTRAN)
Solute transport in soils and sediments is commonly simulated with the parabolic advective-dispersive equation, or ADE. In the last decades, it has been reported that this model cannot take in account several important features of solute movement through soil. Recently, a new model base on the assu...
Processes affecting transport of uranium in a suboxic aquifer
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.
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
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)
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...
FRACTIONAL SOLUTE TRANSPORT EQUATION EVALUATED WITH THE MISCIBLE DISPLACEMENT EXPERIMENTAL DATA
Technology Transfer Automated Retrieval System (TEKTRAN)
A new solute transport model has been recently developed assuming that the movements of solute particles in hierarchically-structured porous media belongs to the family of Lévy motions rather than to the Brownian motion. The one-dimensional fractional advective-dispersive transport equation, or FADE...
An exploration of coupled surface-subsurface solute transport in a fully integrated catchment model
NASA Astrophysics Data System (ADS)
Liggett, Jessica E.; Partington, Daniel; Frei, Sven; Werner, Adrian D.; Simmons, Craig T.; Fleckenstein, Jan H.
2015-10-01
Coupling surface and subsurface water flow in fully integrated hydrological codes is becoming common in hydrological research; however, the coupling of surface-subsurface solute transport has received much less attention. Previous studies on fully integrated solute transport focus on small scales, simple geometric domains, and have not utilised many different field data sources. The objective of this study is to demonstrate the inclusion of both flow and solute transport in a 3D, fully integrated catchment model, utilising high resolution observations of dissolved organic carbon (DOC) export from a wetland complex during a rainfall event. A sensitivity analysis is performed to span a range of transport conditions for the surface-subsurface boundary (e.g. advective exchange only, advection plus diffusion, advection plus full mechanical dispersion) and subsurface dispersivities. The catchment model captures some aspects of observed catchment behaviour (e.g. solute discharge at the catchment outlet, increasing discharge from wetlands with increased stream discharge, and counter-clockwise concentration-discharge relationships), although other known behaviours are not well represented in the model (e.g. slope of concentration-discharge plots). Including surface-subsurface solute transport aids in evaluating internal model processes, however there are challenges related to the influence of dispersion across the surface-subsurface interface, and non-uniqueness of the solute transport solution. This highlights that obtaining solute field data is especially important for constraining integrated models of solute transport.
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. PMID:26001981
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.
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
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.
NASA Astrophysics Data System (ADS)
Gotovac, Hrvoje; Srzic, Veljko
2014-05-01
Contaminant transport in natural aquifers is a complex, multiscale process that is frequently studied using different Eulerian, Lagrangian and hybrid numerical methods. Conservative solute transport is typically modeled using the advection-dispersion equation (ADE). Despite the large number of available numerical methods that have been developed to solve it, the accurate numerical solution of the ADE still presents formidable challenges. In particular, current numerical solutions of multidimensional advection-dominated transport in non-uniform velocity fields are affected by one or all of the following problems: numerical dispersion that introduces artificial mixing and dilution, grid orientation effects, unresolved spatial and temporal scales and unphysical numerical oscillations (e.g., Herrera et al, 2009; Bosso et al., 2012). In this work we will present Eulerian Lagrangian Adaptive Fup Collocation Method (ELAFCM) based on Fup basis functions and collocation approach for spatial approximation and explicit stabilized Runge-Kutta-Chebyshev temporal integration (public domain routine SERK2) which is especially well suited for stiff parabolic problems. Spatial adaptive strategy is based on Fup basis functions which are closely related to the wavelets and splines so that they are also compactly supported basis functions; they exactly describe algebraic polynomials and enable a multiresolution adaptive analysis (MRA). MRA is here performed via Fup Collocation Transform (FCT) so that at each time step concentration solution is decomposed using only a few significant Fup basis functions on adaptive collocation grid with appropriate scales (frequencies) and locations, a desired level of accuracy and a near minimum computational cost. FCT adds more collocations points and higher resolution levels only in sensitive zones with sharp concentration gradients, fronts and/or narrow transition zones. According to the our recent achievements there is no need for solving the large
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)
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.
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.
Houseworth, J.E.
2004-09-16
Exact analytical solutions are presented for solute transport in an unsaturated fracture and porous rock matrix. The problem includes advective transport in the fracture and rock matrix as well as advective and diffusive fracture-matrix exchange. Linear sorption in the fracture and matrix and radioactive decay are also treated. The solution is for steady, uniform transport velocities within the fracture and matrix, but allows for independent specification of each of the velocities. The problem is first solved in terms of the solute concentrations that result from an instantaneous point source. Superposition integrals are then used to derive the solute mass flux at a fixed downstream position from an instantaneous point source and for the solute concentrations that result from a continuous point source. Solutions are derived for cases with the solute source in the fracture and the solute source in the matrix. The analytical solutions are closed-form and are expressed in terms of algebraic functions, exponentials, and error functions. Comparisons between the analytical solutions and numerical simulations, as well as sensitivity studies, are presented. Increased sensitivity to cross-flow and solute source location is found for increasing Peclet number. The numerical solutions are found to compare well with the analytical solutions at lower Peclet numbers ,but show greater deviation at higher Peclet numbers.
Broshears, R.E.; Bencala, K.E.; Kimball, B.A.; McKnight, D.M.
1993-01-01
In 1986, the U.S. Geological Survey began an investigation to characterize within-stream hydrologic, chemical, and biological processes that influence the distribution and transport of hazardous constituents in the headwaters of the Arkansas River. The report describes the results of tracer-dilution experiments and associated solute-transport simulations for a 1804-meter stretch of Saint Kevin Gulch, a stream affected by acid mine drainage in Lake County, Colorado. The report describes transient changes in tracer (lithium chloride) concentration at six instream sites.
VERIFICATION OF TRANSPORT CODES BY THE METHOD OF MANUFACTURED SOLUTIONS: THE ATTILA EXPERIENCE
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.
Simulating water, solute, and heat transport in the subsurface with the VS2DI software package
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.
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.
Computer model of two-dimensional solute transport and dispersion in ground water
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
Numerical solution of the radiation transport equation in disk geometry
NASA Technical Reports Server (NTRS)
Spagna, George F., Jr.; Leung, Chun Ming
1987-01-01
An efficient numerical method for solving the problem of radiation transport in a dusty medium with two dimensional (2-D) disk geometry is described. It is a generalization of the one-dimensional quasi-diffusion method in which the transport equation is cast in diffusion form and then solved as a boundary value problem. The method should be applicable to a variety of astronomical sources, the dynamics of which are angular-momentum dominated and hence not accurately treated by spherical geometry, e.g., protoplanetary nebulae, circumstellar disks, interstellar molecular clouds, accretion disks, and disk galaxies. The computational procedure and practical considerations for implementing the method are described in detail. To illustrate the effects of 2-D radiation transport, some model results (dust temperature distributions and IR flux spectra) for externally heated, interstellar dust clouds with spherically symmetric and disk geometry are compared.
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.
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.
A dual-porosity model for simulating solute transport in oil shale
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)
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.
Dykhuizen, R.C.
1988-03-01
A numerical model is presented to represent the transport of solutes through a highly fractured unsaturated, porous medium. To accomplish this, the solute is tracked separately in two flow systems a matrix pore flow system and a fracture network, with interaction terms. Compatible hydraulic equations for such a dual system are also presented to enable solution of the solute trasport. The hydraulic equations chosen use the equivlaent porous media concept. These equations can also be applied to a saturated medium without modification. However, many of the transport terms will be negligible for such an application. A brief sample calculation illustates the method. 11 refs., 4 figs.
KINEMATIC MODELING OF MULTIPHASE SOLUTE TRANSPORT IN THE VADOSE ZONE
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...
CHANGING GEARS: A SUSTAINABLE TRANSPORTATION SOLUTION FOR UCSC
The University of California, Santa Cruz campus sees traffic in/out of campus that averages 22,576 vehicle trips per day. When examining the costs of automobile usage to the UC, students, and the environment it is clear that the primary mode of transportation of students and f...
Impact of thin aquitards on two-dimensional solute transport in an aquifer
NASA Astrophysics Data System (ADS)
Rezaei, Abolfazl; Zhan, Hongbin; Zare, Mohammad
2013-09-01
The influence of aquitards on solute transport in an aquifer is an important and often overlooked process for subsurface contaminant transport. In particular, slow advection (leakage) into an aquitard is often neglected in previous analytical treatment of solute transport, making such analytical solutions unsuitable for benchmarking numerical simulations of transport when aquitard leakage exists. In this study, a semi-analytical solution to the two-dimensional conservative solute transport in an aquifer bounded by thin aquitards is derived in the Laplace domain. The governing equation in the aquifer (not aquitard) incorporates terms accounting for advection, longitudinal dispersion, and transverse vertical dispersion. Both one-dimensional vertical advection and molecular diffusion are considered for aquitard transport. The solutions are derived under conditions of steady-state flow and the first- and third-type transport boundary conditions in the aquifer along with assuming the continuity of concentration and vertical mass flux at aquifer and aquitard interfaces. The solutions in the real time domain are obtained by numerically inverting the solutions in the Laplace domain using the Stehfest (1970) algorithm. The semi-analytical solutions are compared with those from Zhan et al. (2009b), which considered aquitard leakage in infinitively thick aquitards. The concentration profiles, breakthrough curves and distribution profiles in the aquifer are different from those of Zhan et al. (2009b) at small ratios of the aquitard/aquifer thickness; whereas, the results of both are consistent for thick bounding aquitards. This study reveals that the residence time distribution (RTD) in the main aquifer is related to the aquitard/aquifer thickness ratios, Peclet numbers and porosities of adjacent aquitards. The results also suggest that MT3DMS (a commonly applied transport code) cannot successfully simulate solute transport at the aquifer-aquitard interfaces. The presented
Impact of thin aquitards on two-dimensional solute transport in an aquifer.
Rezaei, Abolfazl; Zhan, Hongbin; Zare, Mohammad
2013-09-01
The influence of aquitards on solute transport in an aquifer is an important and often overlooked process for subsurface contaminant transport. In particular, slow advection (leakage) into an aquitard is often neglected in previous analytical treatment of solute transport, making such analytical solutions unsuitable for benchmarking numerical simulations of transport when aquitard leakage exists. In this study, a semi-analytical solution to the two-dimensional conservative solute transport in an aquifer bounded by thin aquitards is derived in the Laplace domain. The governing equation in the aquifer (not aquitard) incorporates terms accounting for advection, longitudinal dispersion, and transverse vertical dispersion. Both one-dimensional vertical advection and molecular diffusion are considered for aquitard transport. The solutions are derived under conditions of steady-state flow and the first- and third-type transport boundary conditions in the aquifer along with assuming the continuity of concentration and vertical mass flux at aquifer and aquitard interfaces. The solutions in the real time domain are obtained by numerically inverting the solutions in the Laplace domain using the Stehfest (1970) algorithm. The semi-analytical solutions are compared with those from Zhan et al. (2009b), which considered aquitard leakage in infinitively thick aquitards. The concentration profiles, breakthrough curves and distribution profiles in the aquifer are different from those of Zhan et al. (2009b) at small ratios of the aquitard/aquifer thickness; whereas, the results of both are consistent for thick bounding aquitards. This study reveals that the residence time distribution (RTD) in the main aquifer is related to the aquitard/aquifer thickness ratios, Peclet numbers and porosities of adjacent aquitards. The results also suggest that MT3DMS (a commonly applied transport code) cannot successfully simulate solute transport at the aquifer-aquitard interfaces. The presented
Biochar pyrolyzed at two temperatures affects Escherichia coli transport through a sandy soil.
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
NASA Astrophysics Data System (ADS)
Ward, Adam S.; Gooseff, Michael N.; Fitzgerald, Michael; Voltz, Thomas J.; Singha, Kamini
2014-09-01
The transport of solutes along hyporheic flowpaths is recognized as central to numerous biogeochemical cycles, yet our understanding of how this transport changes with baseflow recession, particularly in a spatially distributed manner, is limited. We conducted four steady-state solute tracer injections and collected electrical resistivity data to characterize hyporheic transport during seasonal baseflow recession in the H.J. Andrews Experimental Forest (Oregon, USA). We used temporal moment analysis of pixels generated from inversion of electrical resistivity data to compress time-lapse data into descriptive statistics (mean arrival time, temporal variance, and temporal skewness) for each pixel. A spatial visualization of these temporal moments in the subsurface at each of five 2-D transects perpendicular to the stream was interpreted to inform transport processes. As baseflow recession progressed we found increasing first arrival times, persistence, mean arrival time, temporal variance, and coefficient of variation, and decreasing skewness. These trends suggest that changes in hydrologic forcing alter the relative influence of transport phenomena (e.g., advection vs. other transport processes such as dispersion) along flowpaths. Spatial coverage obtained from electrical resistivity images allowed for qualitative comparison of spatial patterns in temporal moments both at an individual cross-section as well as between cross sections. We found that geomorphologic controls (e.g., bedrock confinement vs. gravel wedge deposits) resulted in different distributions and metrics of hyporheic transport. Results of this study provide further evidence that hyporheic transport is highly variable both in space and through the baseflow recession period. Geophysical images differentiate advection-dominated flowpaths from those that are more affected by other transport processes (e.g., dispersion, mobile-immobile exchange).
Pulse exposure of cultured rat neurons to aluminum-maltol affected the axonal transport system.
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
Krügel, Undine; Veenhoff, Liesbeth M; Langbein, Jennifer; Wiederhold, Elena; Liesche, Johannes; Friedrich, Thomas; Grimm, Bernhard; Martinoia, Enrico; Poolman, Bert; Kühn, Christina
2008-09-01
The plant sucrose transporter SUT1 from Solanum tuberosum revealed a dramatic redox-dependent increase in sucrose transport activity when heterologously expressed in Saccharomyces cerevisiae. Plant plasma membrane vesicles do not show any change in proton flux across the plasma membrane in the presence of redox reagents, indicating a SUT1-specific effect of redox reagents. Redox-dependent sucrose transport activity was confirmed electrophysiologically in Xenopus laevis oocytes with SUT1 from maize (Zea mays). Localization studies of green fluorescent protein fusion constructs showed that an oxidative environment increased the targeting of SUT1 to the plasma membrane where the protein concentrates in 200- to 300-nm raft-like microdomains. Using plant plasma membranes, St SUT1 can be detected in the detergent-resistant membrane fraction. Importantly, in yeast and in plants, oxidative reagents induced a shift in the monomer to dimer equilibrium of the St SUT1 protein and increased the fraction of dimer. Biochemical methods confirmed the capacity of SUT1 to form a dimer in plants and yeast cells in a redox-dependent manner. Blue native PAGE, chemical cross-linking, and immunoprecipitation, as well as the analysis of transgenic plants with reduced expression of St SUT1, confirmed the dimerization of St SUT1 and Sl SUT1 (from Solanum lycopersicum) in planta. The ability to form homodimers in plant cells was analyzed by the split yellow fluorescent protein technique in transiently transformed tobacco (Nicotiana tabacum) leaves and protoplasts. Oligomerization seems to be cell type specific since under native-like conditions, a phloem-specific reduction of the dimeric form of the St SUT1 protein was detectable in SUT1 antisense plants, whereas constitutively inhibited antisense plants showed reduction only of the monomeric form. The role of redox control of sucrose transport in plants is discussed. PMID:18790827
Modeling solute transport in distribution networks with variable demand and time step sizes.
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.
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.
NASA Astrophysics Data System (ADS)
Hamamoto, S.; Arihara, M.; Kawamoto, K.; Nishimura, T.; Komatsu, T.; Moldrup, P.
2014-12-01
Subsurface warming driven by global warming, urban heat islands, and increasing use of shallow geothermal heating and cooling systems such as the ground source heat pump, potentially causes changes in subsurface mass transport. Therefore, understanding temperature dependency of the solute transport characteristics is essential to accurately assess environmental risks due to increased subsurface temperature. In this study, one-dimensional solute transport experiments were conducted in soil columns under temperature control to investigate effects of temperature on solute transport parameters, such as solute dispersion and diffusion coefficients, hydraulic conductivity, and retardation factor. Toyoura sand, Kaolin clay, and intact loamy soils were used in the experiments. Intact loamy soils were taken during a deep well boring at the Arakawa Lowland in Saitama Prefecture, Japan. In the transport experiments, the core sample with 5-cm diameter and 4-cm height was first isotropically consolidated, whereafter 0.01M KCl solution was injected to the sample from the bottom. The concentrations of K+ and Cl- in the effluents were analyzed by an ion chromatograph to obtain solute breakthrough curves. The solute transport parameters were calculated from the breakthrough curves. The experiments were conducted under different temperature conditions (15, 25, and 40 oC). The retardation factor for the intact loamy soils decreased with increasing temperature, while water permeability increased due to reduced viscosity of water at higher temperature. Opposite, the effect of temperature on solute dispersivity for the intact loamy soils was insignificant. The effects of soil texture on the temperature dependency of the solute transport characteristics will be further investigated from comparison of results from differently-textured samples.
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.
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
Coupling of hydrologic transport and chemical reactions in a stream affected by acid mine drainage
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.
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...
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...
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.
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.
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.
The Mechanism of Field-Scale Solute Transport: An insight from Numerical Simulations
NASA Astrophysics Data System (ADS)
Russo, David
2014-05-01
Field-scale transport of conservative (chloride) and reactive (nitrate) solutes was analyzed by means of two different model processes for the local description of the transport. The first is the classical, one-region advection dispersion equation (ADE) model, while the second is the two-region, mobile-immobile (MIM) model. The analyses were performed by means of detailed three-dimensional (3-D), numerical simulations of the flow and the transport considering realistic features of the soil-water-plant-atmosphere system, pertinent to a turf field located in the Glil Yam site, Israel, irrigated with treated waste water (TWW). Simulated water content and concentration profiles were compared with available measurements of their counterparts. Results of the analyses suggest that the behavior of both the conservative and the reactive solutes in the Glil Yam site is quantified better when the transport on the local scale is modeled as a two-region, MIM model, than when a single-region, ADE model is used. Reconstruction of the shape of the measured solute concentration profiles using the MIM transport model, required relatively large immobile water content fraction and relatively small mass transfer coefficient. These results suggest that in the case of initially non-zero solute concentration profile (e.g., chloride and nitrate), the 3-D ADE transport model may significantly overestimate the groundwater contamination hazard posed by the solutes moving through the vadose zone, as compared with the 3-D MIM transport model, while the opposite is true in the case of initially zero solute concentration profile (e.g., carbamazepine). These findings stem from the combination of relatively large immobile water content fraction and relatively small mass transfer coefficient taken into account in the MIM transport model. In the first case, this combination forces a considerable portion of the solute mass to remain in the immobile region of the water-filled pores, while the opposite
General solution of a fractional diffusion-advection equation for solar cosmic-ray transport
NASA Astrophysics Data System (ADS)
Rocca, M. C.; Plastino, A. R.; Plastino, A.; Ferri, G. L.; de Paoli, A.
2016-04-01
In this effort we exactly solve the fractional diffusion-advection equation for solar cosmic-ray transport and give its general solution in terms of hypergeometric distributions. Numerical analysis of this equation shows that its solutions resemble power-laws.
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...
Technology Transfer Automated Retrieval System (TEKTRAN)
It has been reported that this model cannot take into account several important features of solute movement through soil. Recently, a new model has been suggested that results in a solute transport equation with fractional spatial derivatives, or FADE. We have assembled a database on published solu...
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...
Derivation of the macroscopic solute transport equation for homogeneous, saturated, porous media
Chu, S.Y.; Sposito, G.
1980-06-01
The macroscopic transport equation for a conservative solute in a homogeneous, water-saturated porous medium is derived on the basis of a rigorous cumulant expansion applied to the equation of mass balance. The essential physical conept underlying the derivation is that of a local volume-averaged solute velocity which fluctuates on a time scale that is orders of magnitude smaller than its autocorrelation time scale, which, in turn, is much smaller than the time scale of interest in a typical solute transport experiment. This clear separation of the scales is illustrated with representative data on solute transport in homogeneous, water-saturated soils and is employed to justify the truncation of an exact cumulant expansion of the divergence of the volume-averaged solute mass flux density. With the cumulant expansion terminated at first order in the ratio of the solute velocity autocorrelation time to the macroscopic solute transport time interval, an expression for the macroscopic solute mass flux density is produced which is the same as Fick's law extended to porous media. 26 references.
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)
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
An Evaluation of Conditioning Data for Solute Transport Prediction
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.
Implicitly causality enforced solution of multidimensional transient photon transport equation.
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
Transport of water, solutes and nutrients from a pasture hillslope, southwestern Brazilian Amazon
NASA Astrophysics Data System (ADS)
Biggs, Trent Wade; Dunne, Thomas; Muraoka, Takashi
2006-08-01
A conceptual model of water and solute transport pathways was developed and applied to a pasture hillslope in the southwestern Brazilian Amazon basin using select field measurements. Infiltration-excess or Horton overland flow (HOF), saturation overland flow (SOF), and groundwater in both the near-stream zone and upslope were sampled on a hillslope draining a 3.9 hectare pasture for a total of ten storms during the first half of the rainy season (October-November) in 2002. A Soil Conservation Service SCS curve number model of HOF and an annual water balance of both upslope and near-stream zones were used to calculate the contribution of each flowpath to solute export. HOF occurred in rainstorms greater than 5 mm and accounted for 8% of annual rainfall. Flow generated in the near-stream zone was 8% of annual rainfall. Sub-surface flow from upslope groundwater dominated annual runoff (19-30% of annual rainfall). Solutes fell into three categories according to flowpath. HOF from upslope positions dominated the export of total phosphorus (TP) and total dissolved phosphorus (TDP, 51-72% of total annual export). The near-stream zones controlled the export of K (58-65%), total dissolved nitrogen (TDN, 76-80%), and total nitrogen (TN, 75%) owing to relatively high solute concentrations and the large volume of water that flowed through the near-stream zone. Na and Si export was via groundwater from upslope (50-67% of annual export). The flux calculations were based on a small number of storms and are preliminary estimates designed to identify broad patterns in solute export via different hydrologic pathways. Additional processes, especially N removal at the groundwater-stream interface and in the stream channel, may affect actual export rates at the watershed scale. Whereas HOF production is negligible in Amazon forests, it represents a significant pathway for additional loss of elements, especially phosphorus, from mature pasture systems. The evidence presented here shows
Effect of antidiuretic hormone on human small intestinal water and solute transport
Soergel, Konrad H.; Whalen, George E.; Harris, John A.; Geenen, Joseph E.
1968-01-01
The effect of i.v. Pitressin (ADH) in a dose of 1 U/hr on permeability characteristics and on absorptive capacity of the normal human small intestine was investigated. The method of continuous intestinal perfusion was employed with polyethylene glycol 4000 as a nonabsorbable marker. Unidirectional flux rates of Na and H2O were calculated from the disappearance of 22Na and of 3HOH from isotonic saline solution within the intestinal lumen. Each study consisted of two successive perfusion periods: one while the subject was hydrated, the other during ADH infusion or while the subject was dehydrated. Water and sodium absorption from isotonic NaCl occurred in the hydrated state and was abolished by ADH as well as by dehydration in the jejunum. In some instances, net gain of water and sodium in the lumen occurred. In the ileum, ADH and dehydration caused a decrease in water and sodium absorption rate. By contrast, unidirectional flux into the intestinal lumen of water and sodium, as well as dextrose and D-xylose diffusion, remained unchanged by ADH. During perfusions with hypertonic urea solutions the rates of sodium and water entry into the intestine were greatly increased during i.v. ADH infusion, whereas urea loss from the study segment remained constant. ADH in the dosage used did not affect human intestinal motility. The results suggest that circulating ADH in physiologic concentrations affects the small intestine in one of two ways: increased secretion of water and salt into the lumen or direct interference with the active sodium transport mechanism. PMID:5645853
Prolonged river water pollution due to variable-density flow and solute transport in the riverbed
NASA Astrophysics Data System (ADS)
Jin, Guangqiu; Tang, Hongwu; Li, Ling; Barry, D. A.
2015-04-01
A laboratory experiment and numerical modeling were used to examine effects of density gradients on hyporheic flow and solute transport under the condition of a solute pulse input to a river with regular bed forms. Relatively low-density gradients due to an initial salt pulse concentration of 1.55 kg m-3 applied in the experiment were found to modulate significantly the pore-water flow and solute transport in the riverbed. Such density gradients increased downward flow and solute transport in the riverbed by factors up to 1.6. This resulted in a 12.2% increase in the total salt transfer from the water column to the riverbed over the salt pulse period. As the solute pulse passed, the effect of the density gradients reversed, slowing down the release of the solute back to the river water by a factor of 3.7. Numerical modeling indicated that these density effects intensified as salt concentrations in the water column increased. Simulations further showed that the density gradients might even lead to unstable flow and result in solute fingers in the bed of large bed forms. The slow release of solute from the bed back to the river led to a long tail of solute concentration in the river water. These findings have implications for assessment of impact of pollution events on river systems, in particular, long-term effects on both the river water and riverbed due to the hyporheic exchange.
NASA Astrophysics Data System (ADS)
Zhao, Gang; Takamatsu, Hiroshi; He, Xiaoming
2014-04-01
A new model was developed to predict transmembrane water transport and diffusion-limited ice formation in cells during freezing without the ideal-solution assumption that has been used in previous models. The model was applied to predict cell dehydration and intracellular ice formation (IIF) during cryopreservation of mouse oocytes and bovine carotid artery endothelial cells in aqueous sodium chloride (NaCl) solution with glycerol as the cryoprotectant or cryoprotective agent. A comparison of the predictions between the present model and the previously reported models indicated that the ideal-solution assumption results in under-prediction of the amount of intracellular ice at slow cooling rates (<50 K/min). In addition, the lower critical cooling rates for IIF that is lethal to cells predicted by the present model were much lower than those estimated with the ideal-solution assumption. This study represents the first investigation on how accounting for solution nonideality in modeling water transport across the cell membrane could affect the prediction of diffusion-limited ice formation in biological cells during freezing. Future studies are warranted to look at other assumptions alongside nonideality to further develop the model as a useful tool for optimizing the protocol of cell cryopreservation for practical applications.
Zhao, Gang; Takamatsu, Hiroshi; He, Xiaoming
2014-01-01
A new model was developed to predict transmembrane water transport and diffusion-limited ice formation in cells during freezing without the ideal-solution assumption that has been used in previous models. The model was applied to predict cell dehydration and intracellular ice formation (IIF) during cryopreservation of mouse oocytes and bovine carotid artery endothelial cells in aqueous sodium chloride (NaCl) solution with glycerol as the cryoprotectant or cryoprotective agent. A comparison of the predictions between the present model and the previously reported models indicated that the ideal-solution assumption results in under-prediction of the amount of intracellular ice at slow cooling rates (<50 K/min). In addition, the lower critical cooling rates for IIF that is lethal to cells predicted by the present model were much lower than those estimated with the ideal-solution assumption. This study represents the first investigation on how accounting for solution nonideality in modeling water transport across the cell membrane could affect the prediction of diffusion-limited ice formation in biological cells during freezing. Future studies are warranted to look at other assumptions alongside nonideality to further develop the model as a useful tool for optimizing the protocol of cell cryopreservation for practical applications. PMID:25316951
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
Addition of simultaneous heat and solute transport and variable fluid viscosity to SEAWAT
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.
CFEST Coupled Flow, Energy & Solute Transport Version CFEST005 Theory Guide
Freedman, Vicky L.; Chen, Yousu; Gupta, Sumant K.
2005-11-01
This document presents the mathematical theory implemented in the CFEST (Coupled Flow, Energy, and Solute Transport) simulator. The simulator is a three-dimensional finite element model that can be used for evaluating flow and solute mass transport. Although the theory for thermal transport is presented in this guide, it has not yet been fully implemented in the simulator. The flow module is capable of simulating both confined and unconfined aquifer systems, as well as constant and variable density fluid flows. For unconfined aquifers, the model uses a moving boundary for the water table, deforming the numerical mesh so that the uppermost nodes are always at the water table. For solute transport, changes in concentration of a single dissolved chemical constituent are computed for advective and hydrodynamic transport, linear sorption represented by a retardation factor, and radioactive decay. Once fully implemented, transport of thermal energy in the groundwater and solid matrix of the aquifer can also be used to model aquifer thermal regimes. Mesh construction employs “collapsible”, hexahedral finite elements in a three-dimensional coordinate system. CFEST uses the Galerkin finite element method to convert the partial differential equations to algebraic form. To solve the coupled equations for momentum, solute and heat transport, either Picard or Newton-Raphson iterative schemes are used to treat nonlinearities. An upstream weighted residual finite-element method is used to solve the advective-dispersive transport and energy transfer equations, which circumvents problems of numerical oscillation problems. Matrix solutions of the flow and transport problems are performed using efficient iterative solvers available in ITPACK and PETSc, solvers that are available in the public domain. These solvers are based on the preconditioned conjugate gradient and ORTHOMIN methods for symmetric and a nonsymmetric matrices, respectively.
D4Z - a new renumbering for iterative solution of ground-water flow and solute- transport equations
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.
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
Flow dynamics and solute transport in unsaturated rock fractures
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.
Molecular cell biology and physiology of solute transport
Caplan, Michael J.; Seo-Mayer, Patricia; Zhang, Li
2010-01-01
Purpose of review An enormous body of research has been focused on exploring the mechanisms through which epithelial cells establish their characteristic polarity. It is clear that under normal circumstances cell–cell contacts mediated by the calcium-dependent adhesion proteins of the intercellular adhesion junctions are required to initiate complete polarization. Furthermore, formation of the tight, or occluding, junctions that limit paracellular permeability has long been thought to help to establish polarity by preventing the diffusion of membrane proteins between the two plasmalemmal domains. This review will discuss several selected kinases and protein complexes and highlight their relevance to transporting epithelial cell polarization. Recent findings Recent work has shed new light on the roles of junctional complexes in establishing and maintaining epithelial cell polarity. In addition, work from several laboratories, suggests that the formation of these junctions is tied to processes that regulate cellular energy metabolism. Summary Junctional complexes and energy sensing kinases constitute a novel class of machinery whose capacity to generate and modulate epithelial cell polarity is likely to have wide ranging and important physiological ramifications. PMID:18695392
Stochastic models of solute transport in highly heterogeneous geologic media
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.
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...
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.
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
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
An implicit dispersive transport algorithm for the US Geological Survey MOC3D solute-transport model
Kipp, K.L., Jr.; 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.
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
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.
A finite-volume ELLAM for three-dimensional solute-transport modeling
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.
Reactive solute transport in streams. 1. Development of an equilibrium- based model
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.
Analytically-derived sensitivities in one-dimensional models of solute transport in porous media
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)
Pore connectivity effects on solute transport in rocks
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
NASA Astrophysics Data System (ADS)
Faghaninia, Alireza; Ager, Joel W.; Lo, Cynthia S.
2015-06-01
Accurate models of carrier transport are essential for describing the electronic properties of semiconductor materials. To the best of our knowledge, the current models following the framework of the Boltzmann transport equation (BTE) either rely heavily on experimental data (i.e., semiempirical), or utilize simplifying assumptions, such as the constant relaxation time approximation (BTE-cRTA). While these models offer valuable physical insights and accurate calculations of transport properties in some cases, they often lack sufficient accuracy—particularly in capturing the correct trends with temperature and carrier concentration. We present here a transport model for calculating low-field electrical drift mobility and Seebeck coefficient of n -type semiconductors, by explicitly considering relevant physical phenomena (i.e., elastic and inelastic scattering mechanisms). We first rewrite expressions for the rates of elastic scattering mechanisms, in terms of ab initio properties, such as the band structure, density of states, and polar optical phonon frequency. We then solve the linear BTE to obtain the perturbation to the electron distribution—resulting from the dominant scattering mechanisms—and use this to calculate the overall mobility and Seebeck coefficient. Therefore, we have developed an ab initio model for calculating mobility and Seebeck coefficient using the Boltzmann transport (aMoBT) equation. Using aMoBT, we accurately calculate electrical transport properties of the compound n -type semiconductors, GaAs and InN, over various ranges of temperature and carrier concentration. aMoBT is fully predictive and provides high accuracy when compared to experimental measurements on both GaAs and InN, and vastly outperforms both semiempirical models and the BTE-cRTA. Therefore, we assert that this approach represents a first step towards a fully ab initio carrier transport model that is valid in all compound semiconductors.
Explicit solutions of the radiative transport equation in the P{sub 3} approximation
Liemert, André Kienle, Alwin
2014-11-01
Purpose: Explicit solutions of the monoenergetic radiative transport equation in the P{sub 3} approximation have been derived which can be evaluated with nearly the same computational effort as needed for solving the standard diffusion equation (DE). In detail, the authors considered the important case of a semi-infinite medium which is illuminated by a collimated beam of light. Methods: A combination of the classic spherical harmonics method and the recently developed method of rotated reference frames is used for solving the P{sub 3} equations in closed form. Results: The derived solutions are illustrated and compared to exact solutions of the radiative transport equation obtained via the Monte Carlo (MC) method as well as with other approximated analytical solutions. It is shown that for the considered cases which are relevant for biomedical optics applications, the P{sub 3} approximation is close to the exact solution of the radiative transport equation. Conclusions: The authors derived exact analytical solutions of the P{sub 3} equations under consideration of boundary conditions for defining a semi-infinite medium. The good agreement to Monte Carlo simulations in the investigated domains, for example, in the steady-state and time domains, as well as the short evaluation time needed suggests that the derived equations can replace the often applied solutions of the diffusion equation for the homogeneous semi-infinite medium.
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 ...
Analytical solutions of a fractional diffusion-advection equation for solar cosmic-ray transport
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.
Using a derivative-free optimization method for multiple solutions of inverse transport problems
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
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.
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
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...
Nutrition of the intervertebral disc: effect of fluid flow on solute transport
Urban, J.P.; Holm, S.; Maroudas, A.; Nachemson, A.
1982-10-01
Adult dogs were injected intravenously with /sup 35/S-sulphate, and moderately exercised for one to six hours to measure isotope concentrations and profiles throughout the intervertebral discs. The isotope profiles were also observed in control animals that had been under anesthesia between injections and death. In both sets of animals, the profiles were in agreement with those expected for isotope transport by diffusion. This agreement indicates that fluid pumping during movement has an insignificant effect on transport of nutrients into the disc. Small solutes, e.g., O/sub 2/, glucose, and sulphate, are transported into the disc chiefly by diffusion. However, calculations show that because of their low diffusivities, pumping may increase the rate of transport of large solutes into the disc, as it does in articular cartilage.
Rockhold, M L
1993-02-01
A field-scale, unsaturated flow and solute transport experiment at the Las Cruces trench site in New Mexico was simulated as part of a blind'' modeling exercise to demonstrate the ability or inability of uncalibrated models to predict unsaturated flow and solute transport in spatially variable porous media. Simulations were conducted using a recently developed multiphase flow and transport simulator. Uniform and heterogeneous soil models were tested, and data from a previous experiment at the site were used with an inverse procedure to estimate water retention parameters. A spatial moment analysis was used to provide a quantitative basis for comparing the mean observed and simulated flow and transport behavior. The results of this study suggest that defensible predictions of waste migration and fate at low-level waste sites will ultimately require site-specific data for model calibration.
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
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.
NASA Astrophysics Data System (ADS)
Laine-Kaulio, Hanne; Backnäs, Soile; Karvonen, Tuomo; Koivusalo, Harri; McDonnell, Jeffrey J.
2014-10-01
Preferential flow dominates water movement and solute transport in boreal forest hillslopes. However, only a few model applications to date have accounted for preferential flow at forest sites. Here we present a parallel and coupled simulation of flow and transport processes in the preferential flow domain and soil matrix of a forested hillslope section in Kangaslampi, Finland, using a new, three-dimensional, physically based dual-permeability model. Our aim is to simulate lateral subsurface stormflow and solute transport at the slope during a chloride tracer experiment, and to investigate the role of preferential flow in the tracer transport. The model was able to mimic the observed tracer transport during tracer irrigation, but overestimated the dilution velocity of the tracer plume in the highly conductive soil horizons near the soil surface after changing the irrigation to tracer-free water. According to the model, 140 times more chloride was transported downslope in the preferential flow domain than in the soil matrix during the tracer irrigation. The simulations showed, together with reference simulations with a traditional one pore domain model, that a two pore domain approach was required to simulate the observed flow and transport event. The event was characterized by the transmissivity feedback phenomenon and controlled by preferential flow mechanisms, in particular by lateral by-pass flow. According to our results, accounting for the slow-flow and fast-flow domains of soil, as well as the water and solute exchange between the domains, is essential for a successful simulation of flow and solute transport in preferential flow dominated hillslopes.
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
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.
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.
NASA Technical Reports Server (NTRS)
Porter, H. S.; Varosi, F.; Mayr, H. G.
1987-01-01
The Neumann iteration method presently used for solving the electron transport equation in which energy, attitude, and pitch angle are independent variables is fast, and can compute numerical point-response-function solutions of the electron transport equation. Because both the inelastic cross sections and angular elastic cross sections of the model are empirically based, the solutions obtained represent a test of compatibility between various sets of cross sections and energy deposition measurements. The use of a numerical quadrature based on analytic phase function forms yields accurate phase function integrals at low computational cost.
Evaluation of unsaturated-zone solute-transport models for studies of agricultural chemicals
Nolan, Bernard T.; Bayless, E. Randall; Green, Christopher T.; Garg, Sheena; Voss, Frank D.; Lampe, David C.; Barbash, Jack E.; Capel, Paul D.; Bekins, Barbara A.
2005-01-01
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.
NASA Astrophysics Data System (ADS)
Wang, Quan; Moerner, W. E.
2014-03-01
In aqueous solution, diffusion generally limits the observation window of a nano-meter sized single molecule to milliseconds and prevents quantitative determination of spectroscopic and transport properties molecule-by-molecule. The anti-Brownian electrokinetic (ABEL) trap is a feedback-based microfluidic device that enables prolonged (multiseconds) observation of single molecules in solution. The amount of information that can be extracted from each molecule in solution is thus boosted by three orders of magnitude. We describe recent advances in extending the ABEL trap to conduct both spectroscopic and transport measurements of single trapped molecules. First, by combining the trap with multi-parameter fluorescence detection, synchronized dynamics in different observables can be visualized in solution. We use single molecules of Atto 633 as an example and show that this popular label switches between different emissive states under common imaging conditions. Next, we show how transport properties of trapped single molecules can be extracted in addition to spectroscopic readouts. Due to their direct sensitivity to molecular size and charge, measured transport coefficients can be used to distinguish different molecular species and trace biomolecular interactions in solution. We demonstrate this new paradigm by monitoring DNA hybridization/melting in real-time.
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.
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.
Solutions and reductions for radiative energy transport in laser-heated plasma
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.
NASA Astrophysics Data System (ADS)
Swanson, Ryan D.; Binley, Andrew; Keating, Kristina; France, Samantha; Osterman, Gordon; Day-Lewis, Frederick D.; Singha, Kamini
2015-02-01
The advection-dispersion equation (ADE) fails to describe commonly observed non-Fickian solute transport in saturated porous media, necessitating the use of other models such as the dual-domain mass-transfer (DDMT) model. DDMT model parameters are commonly calibrated via curve fitting, providing little insight into the relation between effective parameters and physical properties of the medium. There is a clear need for material characterization techniques that can provide insight into the geometry and connectedness of pore spaces related to transport model parameters. Here, we consider proton nuclear magnetic resonance (NMR), direct-current (DC) resistivity, and complex conductivity (CC) measurements for this purpose, and assess these methods using glass beads as a control and two different samples of the zeolite clinoptilolite, a material that demonstrates non-Fickian transport due to intragranular porosity. We estimate DDMT parameters via calibration of a transport model to column-scale solute tracer tests, and compare NMR, DC resistivity, CC results, which reveal that grain size alone does not control transport properties and measured geophysical parameters; rather, volume and arrangement of the pore space play important roles. NMR cannot provide estimates of more-mobile and less-mobile pore volumes in the absence of tracer tests because these estimates depend critically on the selection of a material-dependent and flow-dependent cutoff time. Increased electrical connectedness from DC resistivity measurements are associated with greater mobile pore space determined from transport model calibration. CC was hypothesized to be related to length scales of mass transfer, but the CC response is unrelated to DDMT.
How do hydrodynamic instabilities affect 3D transport in geophysical vortices?
NASA Astrophysics Data System (ADS)
Wang, Peng; Özgökmen, Tamay M.
2015-03-01
Three-dimensional (3D) transport within geophysical vortices (e.g. ocean eddies) is important in understanding processes at a variety of scales, ranging from plankton production to climate variability. 3D transport can be affected by hydrodynamic instabilities of geophysical vortices; however, how the instabilities affecting 3D transport is not clear. Focusing on barotropic, inertial and 3D instabilities, we investigate the joint impacts of instabilities on 3D transport by using analytical methods and direct numerical simulations. We discover for the first time that material can be exchanged through 3D pathways which link a family of vortices generated by the instabilities in a single, initially unstable vortex. We also show that instabilities can increase the magnitude of vertical velocity, mixing rate and vertical material exchange. Besides, we find that instabilities can cause the kinetic energy wavenumber spectrum to have a power-law regime different than the classic regimes of k - 5 / 3 and k-3, and propose a new energy spectrum to interpret the non-classic regime.
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.
Osmosis and solute-solvent drag: fluid transport and fluid exchange in animals and plants.
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. PMID:15976460
Water and solute transport in agricultural soils predicted by volumetric clay and silt contents.
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
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
Factors affecting body weight loss during commercial long haul transport of cattle in North America.
González, L A; Schwartzkopf-Genswein, K S; Bryan, M; Silasi, R; Brown, F
2012-10-01
The objective of the present study was to identify and quantify several factors affecting shrink in cattle during commercial long-haul transport (≥400 km; n = 6,152 journeys). Surveys were designed and delivered to transport carriers to collect relevant information regarding the characteristics of animals, time of loading, origin and destination, and loaded weight before and after transport. In contrast to fat cattle, feeder cattle exhibited greater shrink (4.9 vs. 7.9 ± 0.2% of BW, respectively; P < 0.01), and experienced longer total transport durations (12.4 vs. 14.9 ± 0.99, respectively; P < 0.01) due to border crossing protocols which require mandatory animal inspection. Shrink was greater (P < 0.001) for feeder cattle loaded at ranches/farms and feed yards compared with those loaded at auction markets. Cattle loaded during the afternoon and evening shrank more than those loaded during the night and morning (P < 0.05). Shrinkage was less in cattle transported by truck drivers having 6 or more years of experience hauling livestock compared with those with 5 yr or less (P < 0.05). Shrink increased with both midpoint ambient temperature (% of BW/°C; P < 0.001) and time on truck (% of BW/h; P < 0.001). Temperature and time on truck had a multiplicative effect on each other because shrink increased most rapidly in cattle transported for both longer durations and at higher ambient temperatures (P < 0.001). The rate of shrink over time (% of BW/h) was greatest in cull cattle, intermediate in calves and feeder cattle, and slowest in fat cattle (P < 0.05) but such differences disappeared when the effects of place of origin, loading time, and experience of truck drivers were included in the model. Cull cattle, calves and feeder cattle appear to be more affected by transport compared with fat cattle going to slaughter because of greater shrink. Several factors should be considered when developing guidelines to reduce cattle transport stress and shrink including type
Modeling variably saturated subsurface solute transport with MODFLOW-UZF and MT3DMS
Morway, Eric D.; Niswonger, Richard G.; Langevin, Christian D.; Bailey, Ryan T.; Healy, Richard W.
2013-01-01
The MT3DMS groundwater solute transport model was modified to simulate solute transport in the unsaturated zone by incorporating the unsaturated-zone flow (UZF1) package developed for MODFLOW. The modified MT3DMS code uses a volume-averaged approach in which Lagrangian-based UZF1 fluid fluxes and storage changes are mapped onto a fixed grid. Referred to as UZF-MT3DMS, the linked model was tested against published benchmarks solved analytically as well as against other published codes, most frequently the U.S. Geological Survey's Variably-Saturated Two-Dimensional Flow and Transport Model. Results from a suite of test cases demonstrate that the modified code accurately simulates solute advection, dispersion, and reaction in the unsaturated zone. Two- and three-dimensional simulations also were investigated to ensure unsaturated-saturated zone interaction was simulated correctly. Because the UZF1 solution is analytical, large-scale flow and transport investigations can be performed free from the computational and data burdens required by numerical solutions to Richards' equation. Results demonstrate that significant simulation runtime savings can be achieved with UZF-MT3DMS, an important development when hundreds or thousands of model runs are required during parameter estimation and uncertainty analysis. Three-dimensional variably saturated flow and transport simulations revealed UZF-MT3DMS to have runtimes that are less than one tenth of the time required by models that rely on Richards' equation. Given its accuracy and efficiency, and the wide-spread use of both MODFLOW and MT3DMS, the added capability of unsaturated-zone transport in this familiar modeling framework stands to benefit a broad user-ship.
Modeling variably saturated subsurface solute transport with MODFLOW-UZF and MT3DMS.
Morway, Eric D; Niswonger, Richard G; Langevin, Christian D; Bailey, Ryan T; Healy, Richard W
2013-03-01
The MT3DMS groundwater solute transport model was modified to simulate solute transport in the unsaturated zone by incorporating the unsaturated-zone flow (UZF1) package developed for MODFLOW. The modified MT3DMS code uses a volume-averaged approach in which Lagrangian-based UZF1 fluid fluxes and storage changes are mapped onto a fixed grid. Referred to as UZF-MT3DMS, the linked model was tested against published benchmarks solved analytically as well as against other published codes, most frequently the U.S. Geological Survey's Variably-Saturated Two-Dimensional Flow and Transport Model. Results from a suite of test cases demonstrate that the modified code accurately simulates solute advection, dispersion, and reaction in the unsaturated zone. Two- and three-dimensional simulations also were investigated to ensure unsaturated-saturated zone interaction was simulated correctly. Because the UZF1 solution is analytical, large-scale flow and transport investigations can be performed free from the computational and data burdens required by numerical solutions to Richards' equation. Results demonstrate that significant simulation runtime savings can be achieved with UZF-MT3DMS, an important development when hundreds or thousands of model runs are required during parameter estimation and uncertainty analysis. Three-dimensional variably saturated flow and transport simulations revealed UZF-MT3DMS to have runtimes that are less than one tenth of the time required by models that rely on Richards' equation. Given its accuracy and efficiency, and the wide-spread use of both MODFLOW and MT3DMS, the added capability of unsaturated-zone transport in this familiar modeling framework stands to benefit a broad user-ship. PMID:22834908
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.
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.
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.
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.
Testing and benchmarking of a three-dimensional groundwater flow and solute transport model
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.
Oathes, Desmond J.; Hilt, Lori M.; Nitschke, Jack B.
2015-01-01
Serotonin transporter gene variants are known to interact with stressful life experiences to increase chances of developing affective symptoms, and these same variants have been shown to influence amygdala reactivity to affective stimuli in non-psychiatric populations. The impact of these gene variants on affective neurocircuitry in anxiety and mood disorders has been studied less extensively. Utilizing a triallelic assay (5-HTTLPR and rs25531) to assess genetic variation linked with altered serotonin signaling, this fMRI study investigated genetic influences on amygdala and anterior insula activity in 50 generalized anxiety disorder patients, 26 of whom also met DSM-IV criteria for social anxiety disorder and/or major depressive disorder, and 39 healthy comparison subjects. A Group x Genotype interaction was observed for both the amygdala and anterior insula in a paradigm designed to elicit responses in these brain areas during the anticipation of and response to aversive pictures. Patients who are S/LG carriers showed less activity than their LA/LA counterparts in both regions and less activity than S/LG healthy comparison subjects in the amygdala. Moreover, patients with greater insula responses reported higher levels of intolerance of uncertainty, an association that was particularly pronounced for patients with two LA alleles. A genotype effect was not established in healthy controls. These findings link the serotonin transporter gene to affective circuitry findings in anxiety and depression psychopathology and further suggest that its impact on patients may be different from effects typically observed in healthy populations. PMID:25675343
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
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
Solute transport in eroded and rehabilitated prairie landforms. 2. Reactive solute.
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
The mathematical structure of the model consists of the coupling of a model for the transport through soils to a model for transport through plants. The coupled model describes uptake of water and solutes by plants from the soil solution. The rate of uptake is a function of the e...
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
PERSiST: the precipitation, evapotranspiration and runoff simulator for solute transport
NASA Astrophysics Data System (ADS)
Futter, M. N.; Erlandsson, M. A.; Butterfield, D.; Whitehead, P. G.; Oni, S. K.; Wade, A. J.
2013-07-01
While runoff is often a first-order control on water quality, runoff generation processes and pathways can vary widely between catchments. Credible simulations of solute and pollutant transport in surface waters are dependent on models which facilitate appropriate representations of perceptual models of the runoff generation process. With a few exceptions, models used in solute transport simulations enforce a single, potentially inappropriate representation of the runoff generation process. Here, we present a flexible, semi-distributed landscape scale rainfall-runoff model suitable for simulating a broad range of user-specified perceptual models of runoff generation and stream flow occurring in different climatic regions and landscape types. PERSiST, the Precipitation, Evapotranspiration and Runoff Simulator for Solute Transport; is designed for simulating present day conditions and projecting possible future effects of climate or land use change on runoff, catchment water storage and solute transport. PERSiST has limited data requirements and is calibrated using observed time series of precipitation, air temperature and runoff at one or more points in a river network. Here, we present a first application of the model to the Thames River in the UK and describe a Monte Carlo tool for parameter optimization and sensitivity analysis.
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...
Destabilization of the thermohaline circulation by atmospheric transports: An analytic solution
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.
Technology Transfer Automated Retrieval System (TEKTRAN)
[1] Laboratory and numerical studies were conducted to investigate the transport and fate of Escherichia coli D21g and coliphage f174 in saturated soils with preferential flow under different solution ionic strength (IS'='1, 5, 20, and 100 mM) conditions. Preferential flow systems were created by em...
Benchmark solutions for the galactic ion transport equations with spatial and energy coupling
NASA Technical Reports Server (NTRS)
Ganapol, Barry D.
1988-01-01
In order to anticipate future space shielding requirements, NASA has initiated an effort to formulate computational methods to simulate radiation effects in space. As part of the program, numerical transport algorithms have been developed for the deterministic Boltzman equation describing galactic cosmic ray (GCR) interactions with matter. It thus becomes necessary to assess the accuracy of proposed deterministic algorithms. For this reason, analytical benchmark solutions to mathematically tractable galactic cosmic ray equations have recently been obtained. Even though these problems involve simplifying assumptions of the associated physics, they still contain the essential features of the basic transport processes. The solutions obtained are features of the basic transport processes. The solutions obtained are compared to results from numerical algorithms in order to ensure proper coding and to provide a measure of the accuracy of the numerical methods used in the algorithm. For the first time, mathematical methods have been applied to the galactic ion transport (GIT) equations in the straight ahead approximation with constant nuclear properties. The approach utilizes a Laplace transforms inversion yielding a closed form benchmark solution which is also computationally efficient.
Semianalytical Solutions for Transport in Aquifer and Fractured Clay Matrix System
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 ...
Analytical Solutions for Transport in Aquifer and Fractured Clay Matrix System
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 ...
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...
Analytical solutions for reactive transport of N-member radionuclide chains in a single fracture.
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. PMID:12714317
Examining the influence of heterogeneous porosity fields on conservative solute transport
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.
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.
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
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).
Liu, Xiaoyang; Abbott, Nicholas L
2011-04-15
We report principles for a continuous flow process that can separate solutes based on a driving force for selective transport that is generated by a lateral concentration gradient of a redox-active surfactant across a microfluidic channel. Microfluidic channels fabricated with gold electrodes lining each vertical wall were used to electrochemically generate concentration gradients of the redox-active surfactant 11-ferrocenylundecyl-trimethylammonium bromide (FTMA) in a direction perpendicular to the flow. The interactions of three solutes (a hydrophobic dye, 1-phenylazo-2-naphthylamine (yellow AB), an amphiphilic molecule, 2-(4,4-difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacene-3-pentanoyl)-1-hexadecanoyl-sn-glycero-3-phosphocholine (BODIPY C(5)-HPC), and an organic salt, 1-methylpyridinium-3-sulfonate (MPS)) with the lateral gradients in surfactant/micelle concentration were shown to drive the formation of solute-specific concentration gradients. Two distinct physical mechanisms were identified to lead to the solute concentration gradients: solubilization of solutes by micelles and differential adsorption of the solutes onto the walls of the microchannels in the presence of the surfactant concentration gradient. These two mechanisms were used to demonstrate delipidation of a mixture of BODIPY C(5)-HPC (lipid) and MPS and purification of BODIPY C(5)-HPC from a mixture of BODIPY C(5)-HPC and yellow AB. Overall, the results of this study demonstrate that lateral concentration gradients of redox-active surfactants formed within microfluidic channels can be used to transport solutes across the microfluidic channels in a solute-dependent manner. The approach employs electrical potentials (<1 V) that are sufficiently small to avoid electrolysis of water, can be performed in solutions having high ionic strength (>0.1M), and offers the basis of continuous processes for the purification or separation of solutes in microscale systems. PMID:21446653
The solute carrier family 10 (SLC10): beyond bile acid transport
da Silva, Tatiana Claro; Polli, James E.; Swaan, Peter W.
2012-01-01
The solute carrier (SLC) family 10 (SLC10) comprises influx transporters of bile acids, steroidal hormones, various drugs, and several other substrates. Because the seminal transporters of this family, namely, sodium/taurocholate cotransporting polypeptide (NTCP; SLC10A1) and the apical sodium-dependent bile acid transporter (ASBT; SLC10A2), were primarily bile acid transporters, the term “sodium bile salt cotransporting family” was used for the SLC10 family. However, this notion became obsolete with the finding of other SLC10 members that do not transport bile acids. For example, the sodium-dependent organic anion transporter (SOAT; SLC10A6) transports primarily sulfated steroids. Moreover, NTCP was shown to also transport steroids and xenobiotics, including HMG-CoA inhibitors (statins). The SLC10 family contains four additional members, namely, P3 (SLC10A3; SLC10A3), P4 (SLC10A4; SLC10A4), P5 (SLC10A5; SLC10A5) and SLC10A7 (SLC10A7), several of which were unknown or considered hypothetical until approximately a decade ago. While their substrate specificity remains undetermined, great progress has been made towards their characterization in recent years. SLC10A4 may participate in vesicular storage or exocytosis of neurotransmitters or mastocyte mediators, whereas SLC10A5 and SLC10A7 may be involved in solute transport and SLC10A3 may have a role as a housekeeping protein. Finally, the newly found role of bile acids in glucose and energy homeostasis, via the TGR5 receptor, sheds new light on the clinical relevance of ASBT and NTCP. The present mini-review provides a brief summary of recent progress on members of the SLC10 family. PMID:23506869
Temperature and solute-transport simulation in streamflow using a Lagrangian reference frame
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)
Microbial Growth, Water Flow, and Solute Transport in Unsaturated Porous Media
NASA Astrophysics Data System (ADS)
Yarwood, R. R.; Rockhold, M. L.; Niemet, M. R.; Bottomley, P. J.; Selker, J. S.
2004-05-01
We present an investigation that studied interactions between microbial growth, water flow, and solute transport in variably saturated porous media. The experimental system provided for continuous, noninvasive observation of microbial activity, while simultaneously monitoring water content and solute flow paths in a two-dimensional porous matrix. The spatial and temporal development of microbial colonization by a Pseudomonas fluorescens bacterium was monitored by induction of a bioluminescent phenotype. A model was developed that allowed quantification of population density from bioluminescence measurements. Liquid saturation was quantified from the transmission of light through the system, and solute flow paths were determined with a dye tracer. Dramatic changes in microbial colonization were observed, including upward migration against flow. This migration was particularly interesting because it cannot be explained by passive transport. Bacterial growth and accumulation significantly impacted the hydrologic properties of the media, including apparent desaturation within the colonized region, diversion of flow around the colonized region, and lowering of the capillary fringe height.
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.
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.
Intercomparison of 3D pore-scale flow and solute transport simulation methods
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
Intercomparison of 3D pore-scale flow and solute transport simulation methods
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
NASA Astrophysics Data System (ADS)
Pang, Liping; Goltz, Mark; Close, Murray
2003-01-01
In this note, we applied the temporal moment solutions of [Das and Kluitenberg, 1996. Soil Sci. Am. J. 60, 1724] for one-dimensional advective-dispersive solute transport with linear equilibrium sorption and first-order degradation for time pulse sources to analyse soil column experimental data. Unlike most other moment solutions, these solutions consider the interplay of degradation and sorption. This permits estimation of a first-order degradation rate constant using the zeroth moment of column breakthrough data, as well as estimation of the retardation factor or sorption distribution coefficient of a degrading solute using the first moment. The method of temporal moment (MOM) formulae was applied to analyse breakthrough data from a laboratory column study of atrazine, hexazinone and rhodamine WT transport in volcanic pumice sand, as well as experimental data from the literature. Transport and degradation parameters obtained using the MOM were compared to parameters obtained by fitting breakthrough data from an advective-dispersive transport model with equilibrium sorption and first-order degradation, using the nonlinear least-square curve-fitting program CXTFIT. The results derived from using the literature data were also compared with estimates reported in the literature using different equilibrium models. The good agreement suggests that the MOM could provide an additional useful means of parameter estimation for transport involving equilibrium sorption and first-order degradation. We found that the MOM fitted breakthrough curves with tailing better than curve fitting. However, the MOM analysis requires complete breakthrough curves and relatively frequent data collection to ensure the accuracy of the moments obtained from the breakthrough data.
Pang, Liping; Goltz, Mark; Close, Murray
2003-01-01
In this note, we applied the temporal moment solutions of [Das and Kluitenberg, 1996. Soil Sci. Am. J. 60, 1724] for one-dimensional advective-dispersive solute transport with linear equilibrium sorption and first-order degradation for time pulse sources to analyse soil column experimental data. Unlike most other moment solutions, these solutions consider the interplay of degradation and sorption. This permits estimation of a first-order degradation rate constant using the zeroth moment of column breakthrough data, as well as estimation of the retardation factor or sorption distribution coefficient of a degrading solute using the first moment. The method of temporal moment (MOM) formulae was applied to analyse breakthrough data from a laboratory column study of atrazine, hexazinone and rhodamine WT transport in volcanic pumice sand, as well as experimental data from the literature. Transport and degradation parameters obtained using the MOM were compared to parameters obtained by fitting breakthrough data from an advective-dispersive transport model with equilibrium sorption and first-order degradation, using the nonlinear least-square curve-fitting program CXTFIT. The results derived from using the literature data were also compared with estimates reported in the literature using different equilibrium models. The good agreement suggests that the MOM could provide an additional useful means of parameter estimation for transport involving equilibrium sorption and first-order degradation. We found that the MOM fitted breakthrough curves with tailing better than curve fitting. However, the MOM analysis requires complete breakthrough curves and relatively frequent data collection to ensure the accuracy of the moments obtained from the breakthrough data. PMID:12498577
Simulation and analysis of solute transport in 2D fracture/pipe networks: The SOLFRAC program
NASA Astrophysics Data System (ADS)
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 http://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
NASA Astrophysics Data System (ADS)
Gallo, Claudio; Paniconi, Claudio; Gambolati, Giuseppe
The two-domain concept is widely used in modelling transport in heterogeneous porous media and transport of rate-limited sorbing contaminants. When a first-order kinetic relationship is used to represent the transfer of mass between domains, the model can be expressed as a modified advection-dispersion equation describing general transport coupled to a first-order ordinary differential equation accounting for mass transfer. Different approaches can be used to solve the resulting system, including: simultaneously solving the coupled transport and kinetic equations; discretising and algebraically solving the mass transfer equation and substituting it into the transport equation; solving the mass transfer equation analytically and substituting the integral solution into the transport equation to obtain a single integro-differential equation; and solving the system in Laplace space and back-transforming the solution into the time domain. These four approaches — coupled, algebraic substitution, integro-differential, and finite element Laplace transform (FELT) — are evaluated on the basis of their general features and on their performance in two test cases. The results indicate that the algebraic substitution approach is robust and, on scalar computers, verr efficient. The FELT approach is easily parallelised and achieves good speed-up on supercomputers, but the method is restricted to time-invariant velocity and saturation fields, and is only useful for obtaining the solution at or not too far from the maximum simulation time. The integro-differential method is as efficient as but less robust than the algebraic substitution approach, requiring a small time step size when the mass transfer coefficient is very large. Finally, the coupled approach is robust and flexible, but requires the solution of a system of equations twice as large as the other methods. On balance, the algebraic substitution and, to a lesser extent, the integro-differential methods appear to be the
Analysis of Factors Affecting Stress Solution at Concrete Gravity Dam Heel
NASA Astrophysics Data System (ADS)
Hung, Vu Hoang; Quoc Cong, Trinh; Tongchun, Li
2010-05-01
Along with Vietnam's development, various hydraulic constructions including concrete gravity dams have been being built. In some of these dams, the fractures occurred at the heel of the dams are even in small and media dams. There are various reasons cause the factures at dam heel but the main reason is the stress states at dam heel are not determined correctly while designing dam. In this paper, several factors affecting stress solution at concrete gravity dam heel such as element mesh size, crack joints of upstream foundation, execution process are investigated by using finite element model of Banve concrete gravity dam. This work is very significant when the more high concrete gravity dams will be constructed in Vietnam year after year.
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.
Dhayat, Nasser; Simonin, Alexandre; Anderegg, Manuel; Pathare, Ganesh; Lüscher, Benjamin P; Deisl, Christine; Albano, Giuseppe; Mordasini, David; Hediger, Matthias A; Surbek, Daniel V; Vogt, Bruno; Sass, Jörn Oliver; Kloeckener-Gruissem, Barbara; Fuster, Daniel G
2016-05-01
A heterozygous mutation (c.643C>A; p.Q215X) in the monocarboxylate transporter 12-encoding gene MCT12 (also known as SLC16A12) that mediates creatine transport was recently identified as the cause of a syndrome with juvenile cataracts, microcornea, and glucosuria in a single family. Whereas the MCT12 mutation cosegregated with the eye phenotype, poor correlation with the glucosuria phenotype did not support a pathogenic role of the mutation in the kidney. Here, we examined MCT12 in the kidney and found that it resides on basolateral membranes of proximal tubules. Patients with MCT12 mutation exhibited reduced plasma levels and increased fractional excretion of guanidinoacetate, but normal creatine levels, suggesting that MCT12 may function as a guanidinoacetate transporter in vivo However, functional studies in Xenopus oocytes revealed that MCT12 transports creatine but not its precursor, guanidinoacetate. Genetic analysis revealed a separate, undescribed heterozygous mutation (c.265G>A; p.A89T) in the sodium/glucose cotransporter 2-encoding gene SGLT2 (also known as SLC5A2) in the family that segregated with the renal glucosuria phenotype. When overexpressed in HEK293 cells, the mutant SGLT2 transporter did not efficiently translocate to the plasma membrane, and displayed greatly reduced transport activity. In summary, our data indicate that MCT12 functions as a basolateral exit pathway for creatine in the proximal tubule. Heterozygous mutation of MCT12 affects systemic levels and renal handling of guanidinoacetate, possibly through an indirect mechanism. Furthermore, our data reveal a digenic syndrome in the index family, with simultaneous MCT12 and SGLT2 mutation. Thus, glucosuria is not part of the MCT12 mutation syndrome. PMID:26376857
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
Flavonols Accumulate Asymmetrically and Affect Auxin Transport in Arabidopsis1[C][W][OA
Kuhn, Benjamin M.; Geisler, Markus; Bigler, Laurent; Ringli, Christoph
2011-01-01
Flavonoids represent a class of secondary metabolites with diverse functions in plants including ultraviolet protection, pathogen defense, and interspecies communication. They are also known as modulators of signaling processes in plant and animal systems and therefore are considered to have beneficial effects as nutraceuticals. The rol1-2 (for repressor of lrx1) mutation of Arabidopsis (Arabidopsis thaliana) induces aberrant accumulation of flavonols and a cell-growth phenotype in the shoot. The hyponastic cotyledons, aberrant shape of pavement cells, and deformed trichomes in rol1-2 mutants are suppressed by blocking flavonoid biosynthesis, suggesting that the altered flavonol accumulation in these plants induces the shoot phenotype. Indeed, the identification of several transparent testa, myb, and fls1 (for flavonol synthase1) alleles in a rol1-2 suppressor screen provides genetic evidence that flavonols interfere with shoot development in rol1-2 seedlings. The increased accumulation of auxin in rol1-2 seedlings appears to be caused by a flavonol-induced modification of auxin transport. Quantification of auxin export from mesophyll protoplasts revealed that naphthalene-1-acetic acid but not indole-3-acetic acid transport is affected by the rol1-2 mutation. Inhibition of flavonol biosynthesis in rol1-2 fls1-3 restores naphthalene-1-acetic acid transport to wild-type levels, indicating a very specific mode of action of flavonols on the auxin transport machinery. PMID:21502189
Multi-walled carbon nanotubes affect drug transport across cell membrane in rat astrocytes
NASA Astrophysics Data System (ADS)
Chen, Xiao; Schluesener, Hermann J.
2010-03-01
The impact of carbon nanotubes on the cell membrane is an aspect of particular importance and interest in the study of carbon nanotubes' interactions with living systems. One of the many functions of the cell membrane is to execute substance transport into and out of the cell. We investigated the influence of multi-walled carbon nanotubes (MWCNTs) on the transport of several compounds across in the cell membrane of rat astrocytes using flow cytometry. These compounds are fluorescein diacetate, carboxyfluorescein diacetate, rhodamine 123 and doxorubicin, which are prosubstrate/substrates of multidrug transporter proteins. Results showed that MWCNTs significantly inhibited cellular uptake of doxorubicin but not the other drugs and the mode of loading made a significant difference in doxorubicin uptake. Retention of fluorescein, carboxyfluorescein and rhodamine 123 was remarkably higher in MWCNT-exposed cells after an efflux period. A kinetics study also demonstrated slower efflux of intracellular fluorescein and rhodamine 123. Data presented in this paper suggest that MWCNTs could affect drug transport across cell membranes. The implications of the findings are discussed.
NASA Astrophysics Data System (ADS)
Kallendorf, Christina; Fath, Anja; Oberlack, Martin; Wang, Yongqi
2015-08-01
In the research literature there exist very rare analytical solutions of the surfactant transport equation on an interface. In the present article, we derive sets of exact solutions to interfacial convection-diffusion equations which describe the interfacial transport of insoluble surfactants in a two-phase flow. The investigated model is based on a Stokes flow setting where a spherical shaped inner phase is dispersed in an outer phase. Under the assumption of the small capillary number, the deformation of the spherical phase interface is not taken into account. Neglecting the dependence of the surface tension on the interfacial surfactant concentration, hence neglecting the Marangoni effect, general exact solutions to the surfactant conservation law on the spherical surface with both convective and diffusive terms are provided by means of Heun's confluent function. For the steady case, it is shown that these solutions collapse to a simple exponential form. Furthermore, for the purely diffusive problem, exact solutions are constructed using Legendre polynomials. Such analytical solutions are very valuable as benchmark problems in numerical investigations.
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.
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.
Subsurface solute transport with one-, two-, and three-dimensional arbitrary shape sources.
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
Genetic mapping of hph2, a mutation affecting amino acid transport in the mouse.
Symula, D J; Shedlovsky, A; Dove, W F
1997-02-01
We describe the genetic mapping of hyperphenylal-aninemia 2 (hph2), a recessive mutation in the mouse that causes deficient amino acid transport similar to Hartnup disorder, a human genetic amino acid transport disorder. The hph2 locus was mapped in three separate crosses to identify candidate genes for hph2 and a region of homology in the human genome where we propose the Hartnup Disorder gene might lie. The mutation maps to mouse Chromosome (Chr) 7 distal of the simple sequence length polymorphism (SSLP) marker D7Mit140 and does not recombine with D7Nds4, an SSLP marker in the fibroblast growth factor 3 (Fgf3) gene. Unexpectedly, the mutant chromosome affects recombination frequency in the D7Mit12 to D7Nds4 interval. PMID:9060407
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
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.
NASA Astrophysics Data System (ADS)
Hansen, Scott K.; Berkowitz, Brian
2014-12-01
The continuous time random walk (CTRW) has both an elegant mathematical theory and a successful record at modeling solute transport in the subsurface. However, there are some interpretation ambiguities relating to the relationship between the discrete CTRW transition distributions and the underlying continuous movement of solute that have not been addressed in existing literature. These include the exact definition of "transition", and the extent to which transition probability distributions are unique/quantifiable from data. Here, we present some theoretical results which address these uncertainties in systems with an advective bias. Simultaneously, we present an alternative, reduced parameter CTRW formulation for general advective transport in heterogeneous porous media, which models early- and late-time transport by use of random transition times between sparse, imaginary planes normal to flow. We show that even in the context of this reduced-parameter formulation there is nonuniqueness in the definitions of both transition lengths and waiting time distributions, and that neither may be uniquely determined from experimental data. For practical use of this formulation, we suggest Pareto transition time distributions, leading to a two-degree-of-freedom modeling approach. We then demonstrate the power of this approach in fitting two sets of existing experimental data. While the primary focus is the presentation of new results, the discussion is designed to be pedagogical and to provide a good entry point into practical modeling of solute transport with the CTRW.
Transport of carbon, nitrogen, phosphorus, and major solutes in the Gambia River, West Africa
Lesack, L.F.W.; Hecky, R.E.; Melack, J.M.
1984-07-01
Transport of solutes and particulate materials and their variation with discharge were studied for 1 year (July 1980-June 1981) in the Gambia River in the tropical savanna of West Africa. The water is a dilute solution of SiO/sub 2/ and HCO/sub 3//sup -/. Na/sup +/, K/sup +/, Cl/sup -/, and total dissolved nitrogen showed no significant relation with discharge. Ca/sup 2 +/, Mg/sup 2 +/, HCO/sub 3//sup -/, conductivity, and SO/sub 4//sup 2 -/ decreased as discharge increased, while total dissolved phosphorus increased with discharge. After an initial increase SiO/sub 2/ was independent of discharge. Dissolved organic carbon displayed counterclockwise hysteresis with rising and falling discharge. Particulate phosphorus and total particulate materials displayed clockwise hysteresis. Total transport amounted to 9.66 t x km/sup -2/ x yr/sup -1/. The transport rates of both dissolved and particulate organic C are among the lowest ever reported. The low transport of total particulates and solutes is attributed to lack of relief and the lithology of the catchment.
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.
Hydrodynamics of steady state phloem transport with radial leakage of solute
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
Generalization of one-dimensional solute transport. A stochastic-convective flow conceptualization
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 problems can be reduced to a single-dimensional stochastic viewpoint is also presented to further clarify concepts.
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.
Unsteady solute-transport simulation in streamflow using a finite-difference model
Land, Larry F.
1978-01-01
This report documents a rather simple, general purpose, one-dimensional, one-parameter, mass-transport model for field use. The model assumes a well-mixed conservative solute that may be coming from an unsteady source and is moving in unsteady streamflow. The quantity of solute being transported is in the units of concentration. Results are reported as such. An implicit finite-difference technique is used to solve the mass transport equation. It consists of creating a tridiagonal matrix and using the Thomas algorithm to solve the matrix for the unknown concentrations at the new time step. The computer program pesented is designed to compute the concentration of a water-quality constituent at any point and at any preselected time in a one-dimensional stream. The model is driven by the inflowing concentration of solute at the upstream boundary and is influenced by the solute entering the stream from tributaries and lateral ground-water inflow and from a source or sink. (Woodard-USGS)
NASA Astrophysics Data System (ADS)
Harvey, J. W.; Saiers, J. E.; Newlin, J. T.
2003-12-01
Solute tracer injections into flowing surface water are useful to characterize water velocity, dispersive mixing, and biogeochemical reactions that result from processes such as solute exchange between surface water and sediment porewater. Presently, there are few data or guidelines to understand transport processes in the Everglades. Our tracer study was conducted in central Shark Slough, Everglades National Park (25° 38' 31.2'' N, 80° 43' 20.4'' W) at an experimental flume facility. The flume consists of 4 side-by-side channels enclosing wetland vegetation in open-ended flow-ways (3-m by 100-m) that are subject to ambient flow conditions. The injection was conducted in one channel that, at the time of the experiment, had 60-cm of surface water and a typical assemblage of Everglades' slough vegetation, including rooted macrophytes (mainly Eleocharis sp.), and a well-developed layer (15-cm) of periphyton-coated vegetation (mainly Utricularia sp.) below the water surface. A constant-rate injection of sodium bromide (NaBr) was conducted for 22 hours by dividing the flow between four horizontally oriented soaker hoses that were evenly spaced in the water column. At a distance of 6.8 m downstream of the injection, small-volume (10 to 20-ml) water samples were collected on regular intervals for 48 hrs by withdrawing them by suction from 1/8-inch tubes deployed throughout the water column and in the peat sediment to a depth of 30-cm. Transport was characterized by adjusting the parameters of the USGS model OTIS (One-dimensional Transport with Inflow and Storage). Mean velocity of surface water during the experiment was 0.63 cm/s, longitudinal dispersion was 5 x 10-5 m2/s, and fluid residence times in two storage zones, where local mixing but no appreciable downstream transport occurred, were 1 hr (in periphyton-dominated floating vegetation)and 24 hrs in peat porewater), respectively. We conclude that storage-exchange affects solute transport in the Everglades by
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.
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.
CFEST Coupled Flow, Energy & Solute Transport Version CFEST005 User’s Guide
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.
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)
Intragranular Diffusion: An Important Mechanism Influencing Solute Transport in Clastic Aquifers?
NASA Astrophysics Data System (ADS)
Wood, Warren W.; Kraemer, Thomas F.; Hearn, Paul P., Jr.
1990-03-01
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 than 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.
Intragranular diffusion: An important mechanism influencing solute transport in clastic aquifers?
Wood, W.W.; Kraemer, T.F.; Hearn, P.P., Jr.
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.
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),...
Oathes, Desmond J; Hilt, Lori M; Nitschke, Jack B
2015-01-01
Serotonin transporter gene variants are known to interact with stressful life experiences to increase chances of developing affective symptoms, and these same variants have been shown to influence amygdala reactivity to affective stimuli in non-psychiatric populations. The impact of these gene variants on affective neurocircuitry in anxiety and mood disorders has been studied less extensively. Utilizing a triallelic assay (5-HTTLPR and rs25531) to assess genetic variation linked with altered serotonin signaling, this fMRI study investigated genetic influences on amygdala and anterior insula activity in 50 generalized anxiety disorder patients, 26 of whom also met DSM-IV criteria for social anxiety disorder and/or major depressive disorder, and 39 healthy comparison subjects. A Group x Genotype interaction was observed for both the amygdala and anterior insula in a paradigm designed to elicit responses in these brain areas during the anticipation of and response to aversive pictures. Patients who are S/L(G) carriers showed less activity than their L(A)/L(A) counterparts in both regions and less activity than S/L(G) healthy comparison subjects in the amygdala. Moreover, patients with greater insula responses reported higher levels of intolerance of uncertainty, an association that was particularly pronounced for patients with two LA alleles. A genotype effect was not established in healthy controls. These findings link the serotonin transporter gene to affective circuitry findings in anxiety and depression psychopathology and further suggest that its impact on patients may be different from effects typically observed in healthy populations. PMID:25675343
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
Flux-Averaged and Volume-Averaged Concentrations in Continuum Approaches to Solute Transport
NASA Astrophysics Data System (ADS)
Parker, J. C.; van Genuchten, M. Th.
1984-07-01
Transformations between volume-averaged pore fluid concentrations and flux-averaged concentrations are presented which show that both modes of concentration obey convective-dispersive transport equations of identical mathematical form for nonreactive solutes. The pertinent boundary conditions for the two modes, however, do not transform identically. Solutions of the convection-dispersion equation for a semi-infinite system during steady flow subject to a first-type inlet boundary condition is shown to yield flux concentrations, while solutions subject to a third-type boundary condition yield volume-averaged concentrations. These solutions may be applied with reasonable impunity to finite as well as semi-infinite media if back mixing at the exit is precluded. Implications of the distinction between resident and flux concentrations to laboratory and field studies of solute transport are discussed. It is suggested that perceived limitations of the convection-dispersion model for media with large variations in pore water velocities may in certain cases be attributable to a failure to distinguish between volume-averaged and flux-averaged concentrations.
A new algorithm for generating highly accurate benchmark solutions to transport test problems
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.
Electroosmotic fluid motion and late-time solute transport at non-negligible zeta potentials
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.
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
NASA Astrophysics Data System (ADS)
Molins, S.; Mayer, K. U.
2007-05-01
The two-way coupling that exists between biogeochemical reactions and vadose zone transport processes, in particular gas phase transport, determines the composition of soil gas. To explore these feedback processes quantitatively, multicomponent gas diffusion and advection are implemented into an existing reactive transport model that includes a full suite of geochemical reactions. Multicomponent gas diffusion is described on the basis of the dusty gas model, which accounts for all relevant gas diffusion mechanisms. The simulation of gas attenuation in partially saturated landfill soil covers, methane production, and oxidation in aquifers contaminated by organic compounds (e.g., an oil spill site) and pyrite oxidation in mine tailings demonstrate that both diffusive and advective gas transport can be affected by geochemical reactions. Methane oxidation in landfill covers reduces the existing upward pressure gradient, thereby decreasing the contribution of advective methane emissions to the atmosphere and enhancing the net flux of atmospheric oxygen into the soil column. At an oil spill site, methane oxidation causes a reversal in the direction of gas advection, which results in advective transport toward the zone of oxidation both from the ground surface and the deeper zone of methane production. Both diffusion and advection contribute to supply atmospheric oxygen into the subsurface, and methane emissions to the atmosphere are averted. During pyrite oxidation in mine tailings, pressure reduction in the reaction zone drives advective gas flow into the sediment column, enhancing the oxidation process. In carbonate-rich mine tailings, calcite dissolution releases carbon dioxide, which partly offsets the pressure reduction caused by O2 consumption.
Huang, Kuo-Lin; Holsen, Thomas M; Chou, Tse-Chuan; Selman, J Robert
2003-05-01
This study focuses on the electrolytic regeneration of spent chromium plating solutions. These solutions contain a significant amount of chromium and a lesser amount of other heavy metals, which makes them a significant environmental concern and an obvious target for recycling and reuse. The type of separator used is extremely critical to the performance of the process because they are the major resistance in the transport-related impurity (Cu(II), Ni(II), and Fe(III)) removals from contaminated chromic acid solutions. A Nafion 117 membrane and a ceramic diaphragm separator traditionally used in the industry were tested for comparison. It was found that the mobilities of Cu(II) and Ni(II) were similar and higher than that of Fe(III) using both separators. The mobility of each cation was smaller in the Nafion membrane than in the ceramic diaphragm. The measured conductivity of the ceramic diaphragm was slightly higher than that of Nafion membrane. However, the Nafion membrane was much thinner than the ceramic diaphragm resulting in the system using the Nafion membrane having higher impurity removal rates than the system using the ceramic diaphragm. The removal rates were approximately equal for Cu(II) and Ni(II) and lowest for Fe(III). Both current and initial concentration affected the removal rates of the impurities. Modeling results indicated that a system using a Nafion separator and a small catholyte/anolyte volume ratio was better than a system using a ceramic separator for removing impurities from concentrated plating solutions if the impurities transported into the catholyte are deposited or precipitated. PMID:12775076
Domain Decomposition PN Solutions to the 3D Transport Benchmark over a Range in Parameter Space
NASA Astrophysics Data System (ADS)
Van Criekingen, S.
2014-06-01
The objectives of this contribution are twofold. First, the Domain Decomposition (DD) method used in the parafish parallel transport solver is re-interpreted as a Generalized Schwarz Splitting as defined by Tang [SIAM J Sci Stat Comput, vol.13 (2), pp. 573-595, 1992]. Second, parafish provides spherical harmonic (i.e., PN) solutions to the NEA benchmark suite for 3D transport methods and codes over a range in parameter space. To the best of the author's knowledge, these are the first spherical harmonic solutions provided for this demanding benchmark suite. They have been obtained using 512 CPU cores of the JuRoPa machine installed at the Jülich Computing Center (Germany).
Solution of stochastic media transport problems using a numerical quadrature-based method
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)
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.
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.
A two-constituent solute-transport model for ground water having variable density
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)
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.
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.
Arbabi, Vahid; Pouran, Behdad; Weinans, Harrie; Zadpoor, Amir A
2016-06-14
Charged and uncharged solutes penetrate through cartilage to maintain the metabolic function of chondrocytes and to possibly restore or further breakdown the cartilage tissue in different stages of osteoarthritis. In this study the transport of charged solutes across the various zones of cartilage was quantified, taken into account the physicochemical interactions between the solute and the cartilage constituents. A multiphasic finite-bath finite element (FE) model was developed to simulate equine cartilage diffusion experiments that used a negatively charged contrast agent (ioxaglate) in combination with serial micro-computed tomography (micro-CT) to measure the diffusion. By comparing the FE model with the experimental data both the diffusion coefficient of ioxaglate and the fixed charge density (FCD) were obtained. In the multiphasic model, cartilage was divided into multiple (three) zones to help understand how diffusion coefficient and FCD vary across cartilage thickness. The direct effects of charged solute-FCD interaction on diffusion were investigated by comparing the diffusion coefficients derived from the multiphasic and biphasic-solute models. We found a relationship between the FCD obtained by the multiphasic model and ioxaglate partitioning obtained from micro-CT experiments. Using our multi-zone multiphasic model, diffusion coefficient of the superficial zone was up to ten-fold higher than that of the middle zone, while the FCD of the middle zone was up to almost two-fold higher than that of the superficial zone. In conclusion, the developed finite-bath multiphasic model provides us with a non-destructive method by which we could obtain both diffusion coefficient and FCD of different cartilage zones. The outcomes of the current work will also help understand how charge of the bath affects the diffusion of a charged molecule and also predict the diffusion behavior of a charged solute across articular cartilage. PMID:27033729
Defective copper transport in the copt5 mutant affects cadmium tolerance.
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. PMID:25432970
Fate and transport of oil sand process-affected water into the underlying clay till: a field study.
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
Size-dependent control of colloid transport via solute gradients in dead-end channels
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
Gangliosides do not affect ABC transporter function in human neuroblastoma cells.
Dijkhuis, Anne-Jan; Klappe, Karin; Kamps, Willem; Sietsma, Hannie; Kok, Jan Willem
2006-06-01
Previous studies have indicated a role for glucosylceramide synthase (GCS) in multidrug resistance (MDR), either related to turnover of ceramide (Cer) or generation of gangliosides, which modulate apoptosis and/or the activity of ABC transporters. This study challenges the hypothesis that gangliosides modulate the activity of ABC transporters and was performed in two human neuroblastoma cell lines, expressing either functional P-glycoprotein (Pgp) or multidrug resistance-related protein 1 (MRP1). Two inhibitors of GCS, D,L-threo-1-phenyl-2-hexadecanoylamino-3-pyrrolidino-1-propanol (t-PPPP) and N-butyldeoxynojirimycin (NB-dNJ), very efficiently depleted ganglioside content in two human neuroblastoma cell lines. This was established by three different assays: equilibrium radiolabeling, cholera toxin binding, and mass analysis. Fluorescence-activated cell sorting (FACS) analysis showed that ganglioside depletion only slightly and in the opposite direction affected Pgp- and MRP1-mediated efflux activity. Moreover, both effects were marginal compared with those of well-established inhibitors of either MRP1 (i.e., MK571) or Pgp (i.e., GF120918). t-PPPP slightly enhanced cellular sensitivity to vincristine, as determined by 3-[4,5-dimethylthiazol-2-yl]2,5-diphenyl tetrazolium bromide analysis, in both neuroblastoma cell lines, whereas NB-dNJ was without effect. MRP1 expression and its localization in detergent-resistant membranes were not affected by ganglioside depletion. Together, these results show that gangliosides are not relevant to ABC transporter-mediated MDR in neuroblastoma cells. PMID:16547352
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.
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.
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.
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.
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.
Fuel-mix, fuel efficiency, and transport demand affect prospects for biofuels in northern Europe.
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
Cheng, Vicki A; Walker, Lynn M
2016-04-12
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. PMID:26796632
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
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.
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.
Gheribi, Aïmen E; Salanne, Mathieu; Chartrand, Patrice
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. PMID:25833567
NASA Astrophysics Data System (ADS)
Botter, G.; Bertuzzo, E.; Rinaldo, A.
2011-12-01
The probability density functions (pdf's) of travel and residence times are key descriptors of the mechanisms through which catchments retain and release old and event water, transporting solutes to receiving water bodies. In this contribution we derive a general stochastic framework applicable to arbitrary catchment control volumes, where time-variable precipitation, evapotranspiration and discharge are assumed to be the major hydrological drivers for water and solutes. A master equation for the residence time pdf is derived and solved analytically, providing expressions for travel and residence time pdf's as a function of input/output fluxes and of the relevant mixing processes occurring along streamflow production and plant upatke. Our solutions suggest intrinsically time variant travel and residence time pdf's through a direct dependence on the underlying hydrological forcings and soil vegetation dynamics. The proposed framework highlights the dependence of water/solute travel times on eco-hydrological processes (especially transpiration and uptake), and integrates age-dating and tracer hydrology techniques by providing a coherent framework for catchment transport models. An application to the release of pesticides from an agricultural watershead is also discussed.
Impact of space-time mesh adaptation on solute transport modeling in porous media
NASA Astrophysics Data System (ADS)
Esfandiar, Bahman; Porta, Giovanni; Perotto, Simona; Guadagnini, Alberto
2015-02-01
We implement a space-time grid adaptation procedure to efficiently improve the accuracy of numerical simulations of solute transport in porous media in the context of model parameter estimation. We focus on the Advection Dispersion Equation (ADE) for the interpretation of nonreactive transport experiments in laboratory-scale heterogeneous porous media. When compared to a numerical approximation based on a fixed space-time discretization, our approach is grounded on a joint automatic selection of the spatial grid and the time step to capture the main (space-time) system dynamics. Spatial mesh adaptation is driven by an anisotropic recovery-based error estimator which enables us to properly select the size, shape, and orientation of the mesh elements. Adaptation of the time step is performed through an ad hoc local reconstruction of the temporal derivative of the solution via a recovery-based approach. The impact of the proposed adaptation strategy on the ability to provide reliable estimates of the key parameters of an ADE model is assessed on the basis of experimental solute breakthrough data measured following tracer injection in a nonuniform porous system. Model calibration is performed in a Maximum Likelihood (ML) framework upon relying on the representation of the ADE solution through a generalized Polynomial Chaos Expansion (gPCE). Our results show that the proposed anisotropic space-time grid adaptation leads to ML parameter estimates and to model results of markedly improved quality when compared to classical inversion approaches based on a uniform space-time discretization.
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.
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
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
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
SEAWAT Version 4: A Computer Program for Simulation of Multi-Species Solute and Heat Transport
Langevin, Christian D.; Thorne, Daniel T., Jr.; 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
Inhibition of ABC transport proteins by oil sands process affected water.
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
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
2D Electrical Resistivity Tomography surveys optimisation of the solutes transports in porous media.
NASA Astrophysics Data System (ADS)
Lekmine, G.; Pessel, M.; Auradou, H.
2009-04-01
Electrical resistivity tomography applied in borehole or cross-borehole is a method often used to follow the invasion process of pollutant [Daily, 1991]. The aim of this work is to test experimentally the electrode arrays and inversion process used to obtain a spatial representation of tracer propagation in porous media. Experiments were conducted in a plexiglas container with glass beads of 166 microns in diameter. The height of the container is 275 mm, its width 85 mm and its thickness 10 mm. 21 electrodes, equally spaced, are placed along each of the lateral sides of the porous medium : these electrodes are used to perform the electrical measurements. The porous medium is lightened from behind and a video camera records the propagation of the fluids. The fluid containing the tracer (i.e the pollutant) is a water solution containing a small amount of dye together with NaCl (0.5g/l up to 2.0g/l). The medium is first saturated by a water solution containing a slight concentration of NaCl so that its density is smaller than the injected fluid. An upward flow is first established, then the denser fluid is injected at the bottom and over the full width of the medium. In this way, the flow is stabilized by gravity avoiding the development of unstable fingers. Still, the fluids are miscible and a mixing front develops during the flow: in the present study, both the determination by optical and electrical imaging of the mean position of the front and its width are of interest. The comparison of the two techniques allows to study the ability of the inversion process to quantify the solute transport. The electrical measurements are acquired by a standard multi electrode system (IRIS Instruments) and the data are inverted with the Res2Dinv software which models the 2D distribution of conductivity contrasts. The obtained bulk conductivity can be related through Archie's law to fluid conductivity by the porosity and the cementation factor which have been experimentally
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.
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.
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.
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.
NASA Astrophysics Data System (ADS)
Yankovsky, A. E.; Rogers-Cotrone, J.; Maze, G.; Weingartner, T. J.
2009-04-01
A typical feature of coastal circulation in mid- and high latitudes is the existence of buoyancy-driven currents originating from multiple or continuous sources of fresh (or brackish) water and propagating downstream, in the direction of a Kelvin wave. The examples include the Alaska Coastal Current (ACC), the East Greenland Coastal Current, the Norwegian Coastal Current, and the coastal current in the Gulf of Maine. These systems are affected by wind forcing, and previous studies found that downwelling-favorable winds trap buoyant water near the coast, steepen the isopycnals, and enhance the downstream velocity and freshwater transport in the coastal current. In this study we present a series of numerical experiments demonstrating that under certain conditions the downwelling favorable winds reduce the downstream freshwater transport compared to no-wind conditions due to some freshwater being transported offshore. These situations include: 1. Light average wind stresses (0.025 Pa or less), especially when the wind varies alongshore. The offshore freshwater transport is eddy-driven and is enhanced in the areas of converging wind stress. Eddy generation is associated with the wind-induced deepening of a buoyant layer near the coast. When the surface boundary layer is thin under light wind, this deepening translates into an enhanced vertical shear of the alongshore current through the thermal wind balance (geostrophic shear). 2. The cyclonic atmospheric system coming ashore builds up a sea level bulge at the coast upstream from the cyclone's center. This high pressure forms a filament transporting the freshwater offshore along the upstream flank of the cyclone. We apply the Regional Ocean Modeling System (ROMS) configured as a periodic channel and forced by multiple freshwater sources in the central part of the domain, and by the downwelling-favorable wind stress, both constant and variable. In particular, a moving cyclonic atmospheric system in the gradient wind
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.
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. PMID:23131109
Role of turgor pressure and solute transport in plant cell growth: Progress report
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.
Petruzzelli, Michele; Groen, Albert K; van Erpecum, Karel J; Vrins, Carlos; van der Velde, Astrid E; Portincasa, Piero; Palasciano, Giuseppe; van Berge Henegouwen, Gerard P; Lo Sasso, Giuseppe; Morgano, Annalisa; Moschetta, Antonio
2009-04-17
Intraluminal phospholipids affect micellar solubilization and absorption of cholesterol. We here study cholesterol transport from taurocholate-phospholipid-cholesterol micelles to CaCo2 cells, and associated effects on ABC-A1 mediated cholesterol efflux. Micellar incorporation of egg-yolk-phosphatidylcholine markedly increased apical retention of the sterol with decreased expression of ABC-A1, an effect that is prevented by synthetic liver X receptor (LXR) or retinoid X receptor (RXR) agonists. On the other hand, incorporation of lyso-phosphatidylcholine (LysoPC) increased ABC-A1-HDL-dependent basolateral cholesterol efflux, an effect that is abated when LXR is silenced. Thus, the modulation of cholesterol metabolism via intraluminal phospholipids is related to the activity of the oxysterol nuclear receptor LXR. PMID:19303409
Nature of Non-Fickian Solute Transport in Complex Heterogeneous Porous Media - Carbonates
NASA Astrophysics Data System (ADS)
Bijeljic, B.; Mostaghimi, P.; Blunt, M. J.
2011-12-01
Despite the range of significant practical applications of solute transport, including the long-term fate of nuclear waste repositories, secure storage of CO2 and improved oil recovery, even the qualitative behavior of most rocks is uncertain: vast carbonate sedimentary basins contain more than half the world's current oil reserves yet experimental data on transport in carbonates is scant. The relationship between pore structure, velocity field and transport remains unknown, particularly for heterogeneous carbonates. We simulate solute transport through 3D μ-CT images of different rock samples, representing geological media of increasing pore-scale complexity: a sandpack, a Berea sandstone and a Portland limestone. A finite-difference Stokes solver is employed to compute the flow field and transport particles semi-analytically along streamlines to represent advection with a random motion to model diffusion. We predict the propagators measured on similar cores in Nuclear Magnetic Resonance (NMR) experiments. Dispersion coefficient dependence on Peclet number is shown to have different scaling for complex carbonates. 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. We demonstrate the different nature of non-Fickian transport in carbonates by analyzing the transit time probabilities ψ(τ) of traveling between two neighboring voxels for Portland carbonate that show an approximately power-law dependence of travel times ψ(τ) ~ τ -1-β with a slope corresponding to β = 0.7, as shown in Fig.1. The comparison with ψ(τ) of the sandpack and Berea sandstone for Pe = ∝ indicates quantitatively different generic behavior, as the sandpack and sandstone have slope corresponding to β = 1.8 (two
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.
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
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.
Yao, Lixian; Li, Guoliang; Dang, Zhi; Yang, Baomei; He, Zhaohuan; Zhou, Changmin
2010-04-01
Roxarsone (ROX) is widely used as a feed additive in intensive animal production. While an animal is fed with ROX, the As compounds in the manure primarily occur as ROX and its metabolites, including arsenate (As[V]), arsenite (As[III]), monomethylarsonic acid (MMA), and dimethylarsinic acid (DMA). Animal manure is commonly land applied with phosphorous fertilizers in China. A pot experiment was conducted to investigate the phytoavailability of ROX, As(V), As(III), MMA, and DMA in water spinach (Ipomoea aquatica), with the soil amended with 0, 0.25, 0.50, 1.0, and 2.0 g PO(4)/kg, respectively, plus 2% (w/w manure/soil) chicken manure (CM) bearing ROX and its metabolites. The results indicate that this species of water spinach cannot accumulate ROX and MMA at detectable levels, but As(V), As(III), and DMA were present in all plant samples. Increased phosphorous decreased the shoot As(V) and As(III) in water spinach but did not affect the root As(V). The shoot DMA and root As(III) and DMA were decreased/increased and then increased/decreased by elevated phosphorous. The total phosphorous content (P) in plant tissue did not correlate with the total As or the three As species in tissues. Arsenate, As(III), and DMA were more easily accumulated in the roots, and phosphate considerably inhibited their upward transport. Dimethylarsinic acid had higher transport efficiency than As(V) and As(III), but As(III) was dominant in tissues. Conclusively, phosphate had multiple effects on the accumulation and transport of ROX metabolites, which depended on their levels. However, proper utilization of phosphate fertilizer can decrease the accumulation of ROX metabolites in water spinach when treated with CM containing ROX and its metabolites. PMID:20821525
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
Dal Bosco, Cristina; Busconi, Marco; Govoni, Chiara; Baldi, Paolo; Stanca, A. Michele; Crosatti, Cristina; Bassi, Roberto; Cattivelli, Luigi
2003-01-01
The expression of several barley (Hordeum vulgare) cold-regulated (cor) genes during cold acclimation was blocked in the albino mutant an, implying a chloroplast control on mRNAs accumulation. By using albino and xantha mutants ordered according to the step in chloroplast biogenesis affected, we show that the cold-dependent accumulation of cor14b, tmc-ap3, and blt14 mRNAs depends on plastid developmental stage. Plants acquire the ability to fully express cor genes only after the development of primary thylakoid membranes in their chloroplasts. To investigate the chloroplast-dependent mechanism involved in cor gene expression, the activity of a 643-bp cor14b promoter fragment was assayed in wild-type and albino mutant an leaf explants using transient β-glucuronidase reporter expression assay. Deletion analysis identified a 27-bp region between nucleotides −274 and −247 with respect to the transcription start point, encompassing a boundary of some element that contributes to the cold-induced expression of cor14b. However, cor14b promoter was equally active in green and in albino an leaves, suggesting that chloroplast controls cor14b expression by posttranscriptional mechanisms. Barley mutants lacking either photosystem I or II reaction center complexes were then used to evaluate the effects of redox state of electron transport chain components on COR14b accumulation. In the mutants analyzed, the amount of COR14b protein, but not the steady-state level of the corresponding mRNA, was dependent on the redox state of the electron transport chain. Treatments of the vir-zb63 mutant with electron transport chain inhibitors showed that oxidized plastoquinone promotes COR14b accumulation, thus suggesting a molecular relationship between plastoquinone/plastoquinol pool and COR14b. PMID:12586903
NASA Astrophysics Data System (ADS)
Deinert, M. R.
2012-12-01
Underground nuclear tests produce anthropogenic isotopes that provide the only definitive means by which to determine whether a nuclear explosion has taken place. Verification of a suspected test under the Comprehensive Nuclear-Test-Ban Treaty often relies on ratios of radioxenon isotopes. Gas samples are gathered either on-site or off-site with certain ranges of xenon isotope ratios considered to be a signature of a weapons test. It is well established that below ground transport can affect the rate at which Noble gasses will reach the surface. However, the relative abundance of anthropogenic isotopes is has long been assumed to rely solely on fission yield and decay rate. By including in subsurface transport models the effects of mass dependent diffusion, and a time dependent source term for the decay of radioiodine precursors, we show here that this assumption is not true. In fact, certain combinations of geology and atmospheric conditions can alter xenon isotope ratios sufficiently for a weapons test going unconfirmed under the current standards.
Besseau, Sébastien; Hoffmann, Laurent; Geoffroy, Pierrette; Lapierre, Catherine; Pollet, Brigitte; Legrand, Michel
2007-01-01
In Arabidopsis thaliana, silencing of hydroxycinnamoyl-CoA shikimate/quinate hydroxycinnamoyl transferase (HCT), a lignin biosynthetic gene, results in a strong reduction of plant growth. We show that, in HCT-silenced plants, lignin synthesis repression leads to the redirection of the metabolic flux into flavonoids through chalcone synthase activity. Several flavonol glycosides and acylated anthocyanin were shown to accumulate in higher amounts in silenced plants. By contrast, sinapoylmalate levels were barely affected, suggesting that the synthesis of that phenylpropanoid compound might be HCT-independent. The growth phenotype of HCT-silenced plants was shown to be controlled by light and to depend on chalcone synthase expression. Histochemical analysis of silenced stem tissues demonstrated altered tracheary elements. The level of plant growth reduction of HCT-deficient plants was correlated with the inhibition of auxin transport. Suppression of flavonoid accumulation by chalcone synthase repression in HCT-deficient plants restored normal auxin transport and wild-type plant growth. By contrast, the lignin structure of the plants simultaneously repressed for HCT and chalcone synthase remained as severely altered as in HCT-silenced plants, with a large predominance of nonmethoxylated H units. These data demonstrate that the reduced size phenotype of HCT-silenced plants is not due to the alteration of lignin synthesis but to flavonoid accumulation. PMID:17237352
First-principles studies of conformation and solution effects on DNA transport
NASA Astrophysics Data System (ADS)
Tan, Bikan; Hodak, Miroslav; Lu, Wenchang; Bernholc, Jerry
2014-03-01
The electrical conductivity of DNA molecules is of fundamental interest in the life sciences. We use first-principles techniques combined with molecular dynamical (MD) simulations to calculate transport properties of B-DNA connected to carbon nanotubes via alkane linkers. The quantum transport properties are calculated for over a hundred of snapshots recorded in MD trajectories. We discover that the DNA conformation and especially the overlaps between sequential guanine bases play a critical role in electron transport. DNA charge transport is indeed governed by charge delocalization with wavefunctions extent controlled by geometrical overlaps. Solvent atoms also affect the conductivity, with counterions decreasing the conductance by a factor of 2-3. In addition, we find that water molecules around the double helix screen the negatively-charged phosphate groups suppressing the conductance of DNA. Comparing transport properties of 4-base-pair (BP) with 10-BP DNA, we find weak distance dependence of the conductivity. Finally, we discuss the effect of sequence on DNA conductivity.
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
Solute transport and storage mechanisms in wetlands of the Everglades, south Florida
NASA Astrophysics Data System (ADS)
Harvey, Judson W.; Saiers, James E.; Newlin, Jessica T.
2005-05-01
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
Solute transport and storage mechanisms in wetlands of the Everglades, south Florida
NASA Astrophysics Data System (ADS)
Harvey, Judson W.; Saiers, James E.; Newlin, Jessica T.
2005-05-01
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
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
Characterization of Water and Solute Transport in the Unsaturated Zone of a Hypersaline Environment
NASA Astrophysics Data System (ADS)
Ronen, Daniel; Yechieli, Yoseph; Shatkay, Michal
1996-11-01
We present a methodology for the analysis of chemical profiles from the unsaturated zone where ions from the sediment are extracted by two methods:centrifugation and water addition. The methodology enables one to (1) assess the ion amounts present in two different phases, pore water and minerals; (2) determine the depth in the unsaturated profile where the degree of saturation of each mineral is reached; (3) establish the principal direction of water flow; and (4) differentiate between upward transport of water either as vapor or as a saline solution. The methodology was applied to the unsaturated zone of the Dead Sea coastal area where the original salinity of interstitial water in these sediments was >300 g/L. Our analysis of the field data suggests that reduction of interstitial water salinity is the result of vertical upward transport of fresh water from a confined aquifer at a depth of 7 m. Flushing, up to the potentiometric surface (depth of 3.5 m), is due to the positive pressure head of the aquifer. Above the potentiometric surface, upward water transport is due to capillary forces, and flow is maintained by evaporation at the soil surface. Evaporation leads to an increase in the salinity of the rising interstitial solution and to the sequential deposition of salts such as NaCl and KMgCl3 · 6H2O.
Effects of Pisha sandstone content on solute transport in a sandy soil.
Zhen, Qing; Zheng, Jiyong; He, Honghua; Han, Fengpeng; Zhang, Xingchang
2016-02-01
In sandy soil, water, nutrients and even pollutants are easily leaching to deeper layers. The objective of this study was to assess the effects of Pisha sandstone on soil solute transport in a sandy soil. The miscible displacement technique was used to obtain breakthrough curves (BTCs) of Br(-) as an inert non-adsorbed tracer and Na(+) as an adsorbed tracer. The incorporation of Pisha sandstone into sandy soil was able to prevent the early breakthrough of both tracers by decreasing the saturated hydraulic conductivity compared to the controlled sandy soil column, and the impeding effects increased with Pisha sandstone content. The BTCs of Br(-) were accurately described by both the convection-dispersion equation (CDE) and the two-region model (T-R), and the T-R model fitted the experimental data slightly better than the CDE. The two-site nonequilibrium model (T-S) accurately fit the Na(+) transport data. Pisha sandstone impeded the breakthrough of Na(+) not only by decreasing the saturated hydraulic conductivity but also by increasing the adsorption capacity of the soil. The measured CEC values of Pisha sandstone were up to 11 times larger than those of the sandy soil. The retardation factors (R) determined by the T-S model increased with increasing Pisha sandstone content, and the partition coefficient (K(d)) showed a similar trend to R. According to the results of this study, Pisha sandstone can successfully impede solute transport in a sandy soil column. PMID:26598989
NASA Astrophysics Data System (ADS)
Moore, S. A.; Ghareh Aghaji Zare, S.; Rennie, C. D.; Ahmari, H.; Seidou, O.
2013-12-01
Quantifying sediment budgets and understanding the processes which control fluvial sediment transport is paramount to monitoring river geomorphology and ecological habitat. In regions that are subject to freezing there is the added complexity of ice. River ice processes impact flow distribution, water stage and sediment transport. Ice processes typically have the largest impact on sediment transport and channel morphodynamics when ice jams occur during ice cover formation and breakup. Ice jams may restrict flow and cause local acceleration when released. Additionally, ice can mechanically scour river bed and banks. Under-ice sediment transport measurements are lacking due to obvious safety and logistical reasons, in addition to a lack of adequate measurement techniques. Since some rivers can be covered in ice during six months of the year, the lack of data in winter months leads to large uncertainty in annual sediment load calculations. To address this problem, acoustic profilers are being used to monitor flow velocity, suspended sediment and ice processes in the Lower Nelson River, Manitoba, Canada. Acoustic profilers are ideal for under-ice sediment flux measurements since they can be operated autonomously and continuously, they do not disturb the flow in the zone of measurement and acoustic backscatter can be related to sediment size and concentration. In March 2012 two upward-facing profilers (1200 kHz acoustic Doppler current profiler, 546 KHz acoustic backscatter profiler) were installed through a hole in the ice on the Nelson River, 50 km downstream of the Limestone Generating Station. Data were recorded for four months, including both stable cover and breakup periods. This paper presents suspended sediment fluxes calculated from the acoustic measurements. Velocity data were used to infer the vertical distribution of sediment sizes and concentrations; this information was then used in the interpretation of the backscattered intensity data. It was found that
NASA Astrophysics Data System (ADS)
Gao, Guangyao; Zhan, Hongbin; Feng, Shaoyuan; Huang, Guanhua; Mao, Xiaomin
2009-10-01
SummaryThis study compared five different models for evaluating solute transport in a 1250-cm long, saturated and highly heterogeneous soil column. The five models were: the convection-dispersion equation (CDE), the mobile-immobile model (MIM), the convective lognormal transfer function model (CLT), the spatial fractional advection-dispersion equation (FADE) and the continuous time random walk model (CTRW). Each of these models was used to fit the breakthrough curve (BTC) at each distance individually and was also used to fit the BTCs at different distances simultaneously. Dependence of estimated parameters on distance was investigated. The estimated parameters at 200 cm were used to make predictions at subsequent distances. Highly anomalous transport behavior was observed in the column as the BTCs demonstrated significantly irregular shape and long tailing. This study indicated that CDE, CLT and FADE were unable to describe the anomalous BTCs adequately and their parameters changed with transport distance significantly. Compared to CDE, CLT and FADE, MIM better captured the evolution of anomalous BTCs. However, MIM did not explain the distinct BTC tailing satisfactorily. In contrast to MIM, CTRW better simulated the long tails of BTCs. The spreading parameter ( β) of CTRW was close to one and remained approximately constant at different travel distances. To make the comparison of these five models more general beyond the specific transport condition in the soil column, a generic evaluation of the advantages and disadvantages of these five models was presented in terms of their theory framework and a priori knowledge of the model behaviors.
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
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%.
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%. PMID:26457966
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.
Signature of Non-Fickian Solute Transport in Complex Heterogeneous Porous Media
NASA Astrophysics Data System (ADS)
Bijeljic, Branko; Mostaghimi, Peyman; Blunt, Martin J.
2011-11-01
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.
Modeling study of solute transport in the unsaturated zone: Workshop proceedings
Springer, E.P.; Fuentes, H.R.
1987-04-01
Issues addressed were the adequacy of the data for the various models, effectiveness of the models to represent the data, particular information provided by the models, the role of caisson experiments in providing fundamental knowledge of porous-media water flow and solute transport, and the importance of geochemistry to the transport of nonconservative tracers. These proceedings include the presentations made by each of the modelers; the summary document written by the panel; and a transcript of the discussions, both the discussions that followed individual presentations and the general discussion held on the second day. This publication completes the series on the workshop. Volume I in the series (NUREG/CR-4615, Vol. I) contains background information and the data sets provided each modeler.
A modified two-state empirical valence bond model for proton transport in aqueous solutions
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.
Signature of non-Fickian solute transport in complex heterogeneous porous media.
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. PMID:22181735
A modified two-state empirical valence bond model for proton transport in aqueous solutions
NASA Astrophysics Data System (ADS)
Mabuchi, Takuya; Fukushima, Akinori; Tokumasu, Takashi
2015-07-01
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.
ERIC Educational Resources Information Center
Popkin, Mary; Ross, Diane
This is a guide to legal and collective bargaining solutions for workplace problems that particularly affect women. The first section of the guide presents a survey of legal remedies for discrimination including information on: (1) Title VII; (2) Equal Pay Act; (3) Executive Order 11246; (4) Age Discrimination in Employment Act; and (5) State Fair…
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.
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.
Physical Controls of Solute Transport and Storage in Indian Creek, an Urban Stream
NASA Astrophysics Data System (ADS)
Ryan, R. J.; Boufadel, M. C.
2005-12-01
Conservative solute tracer experiments are commonly used to estimate transient storage characteristics of relatively pristine streams. However, when combined with field-based data on stream morphology and sediment characteristics, one can reasonably determine not just the transport and storage characteristics, but also which processes control transport and storage in a given stream. This additional information is useful in urban streams undergoing relatively fast geomorphic and hydrologic changes. We conducted a conservative solute tracer experiment in Indian Creek, a small urban stream located in Philadelphia, Pennsylvania. As part of the experiment, we first surveyed the stream topography at a 1m resolution. During the tracer experiment, in addition to monitoring the surface water, we sampled bankside wells and small diameter wells installed in the wetted channel and in a large gravel bar. Post-experiment, we measured in situ streambed hydraulic conductivity using a portable permeameter. From our results we were able to determine that the hyporheic zone extends vertically more than 7.5 cm below the streambed and laterally as much as 8 m from the wetted channel. In addition, we found that our data from the in-channel wells yielded a strong linear relationship between the surface-subsurface tracer flux (mgL-1min-1) and hydraulic conductivity (cms-1). Finally, the observed tracer concentration in the bankside wells appeared to be related to stream curvature with higher concentrations found along the outside and lower concentrations found along the inside of stream bends. Based on our data, we conclude that 1) hyporheic exchange was a significant component of solute transport and storage in the urbanized Indian Creek and 2) hyporheic exchange was controlled by a combination of hydraulic conductivity and stream morphology.
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.
NASA Astrophysics Data System (ADS)
Wang, L.; Cardenas, M.; Slottke, D. T.; Ketcham, R. A.; Sharp, J. M.
2013-12-01
Fundamental understanding of flow and transport processes through single rough-walled fractures remains a challenge to gain insight for interpreting hydrological phenomena at continuum scale. The Generalized Local Cubic Law (GLCL) developed here is based on (1) modifying the aperture field by orienting it with the flow direction accounting for tortuosity, and (2) correcting for roughness changes associated with flow expansion/contraction and inertial effects. We compared its performance in estimating flow rate to results of direct numerical simulations with the Navier-Stokes equations (NSE) and physical flow experiments for real and synthetic three-dimensional rough-walled fractures. We also evaluated the performance of the Local Cubic Law (LCL). The LCL consistently overestimates flow rate with relative error δ ranging from 20% to 100% with arithmetic mean of |δ| (<|δ|>) equal to 45.4% depending on the degree of tortuosity and roughness. However, the GLCL performs well and improves the performance of the LCL, where δ in flow rate range from -3.1% to 11.4% with <|δ|>=4.7%. Furthermore, we generated breakthrough curves (BTCs) through direct numerical simulations based on the advection-diffusion equation with flow field resulting from solving the NSE (which are considered to the true or experimental BTCs). We revisited the applicability of random walk particle tracking (RWPT) to simulate solute transport dynamics through real fractures, where flow fields resulted from the GLCL and LCL, respectively. We found persistent early arrival and heavy tailing in the BTCs from both direct numerical simulations and RWPT, which are the salient characteristics of non-Fickian behavior. The LCL consistently overestimates mean flow velocity; whereas the GLCL improves estimating flow field, and markedly improves fits to the BTCs relative to those fitted with LCL solutions. Therefore, PWPT with flow field resulting from the GLCL is robust in predicting solute transport through
Phase-space finite elements in a least-squares solution of the transport equation
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)
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.
Particle Swarm Optimization for inverse modeling of solute transport in fractured gneiss aquifer.
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. PMID:25035936
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
Hydration and proton transport in solid solutions based on Ba2CaWO6
NASA Astrophysics Data System (ADS)
Animitsa, I. E.; Kochetova, N. A.; Denisova, T. A.; Zhuravlev, N. A.; Baklanova, I. V.
2009-02-01
Hydrated alkaline-earth metal tungstates Ba4Ca2 + x W2 - x O12 - 2 x with perovskite structure were studied by the thermogravimetry, 1H NMR, IR, and Raman spectroscopy methods. Electrical conductivity and transfer numbers were measured with varying T, p_{O_2 } and p_{H_2 O} . The solid solutions are capable of reversibly intercalating water and can exhibit high-temperature proton transport. The localization of protons on oxygen results in the appearance of energetically nonequivalent OH groups; a small fraction of protons are present in the form of H2O and H3O+.
Periodic solutions for a 1D-model with nonlocal velocity via mass transport
NASA Astrophysics Data System (ADS)
Ferreira, Lucas C. F.; Valencia-Guevara, Julio C.
2016-05-01
This paper concerns periodic solutions for a 1D-model with nonlocal velocity given by the periodic Hilbert transform. There is a rich literature showing, via numerics and rigorous analysis, that this model presents singular behavior of solutions. For instance, they can blow up by forming mass-concentration. We develop a global well-posedness theory for periodic measure initial data that allows, in particular, to analyze how the model evolves from those singularities. Our results are based on periodic mass transport theory and the abstract gradient flow theory in metric spaces developed by Ambrosio et al. (2005). A viscous version of the model is also analyzed and inviscid limit properties are obtained.
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
Ling, G N
1981-01-01
The phenomenon of transport of ions, sugars, amino acids, etc. across frog skin and other epithelial systems has been commonly interpreted on the basis of the membrane-pump theory, according to which asymmetry in solute distribution as well as transport into and out of all living cells results from the permeability properties and "pump" activities of the membrane. In the present review, certain findings in the field of transepithelial transport of solutes are given new interpretation on the basis of molecular mechanisms introduced in the association-induction hypothesis, according to which "active transport" of solutes occurs only across bifacial cell systems like frog skin and intestinal epithelium but not in the maintenance of steady levels of solutes in unifacial cell systems such as muscle, nerve, and red blood cells. PMID:7330099
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
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
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.
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. PMID:25533167
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
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.
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.
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
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
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
A laboratory study of colloid and solute transport in surface runoff on saturated soil
NASA Astrophysics Data System (ADS)
Yu, Congrong; Gao, Bin; Muñoz-Carpena, Rafael; Tian, Yuan; Wu, Lei; Perez-Ovilla, Oscar
2011-05-01
SummaryColloids in surface runoff may pose risks to the ecosystems not only because some of them (e.g., pathogens) are toxic, but also because they may facilitate the transport of other contaminants. Although many studies have been conducted to explore colloid fate and transport in the environment, current understanding of colloids in surface runoff is still limited. In this study, we conducted a range of laboratory experiments to examine the transport behavior of colloids in a surface runoff system, made of a soil box packed with quartz sand with four soil drainage outlets and one surface flow outlet. A natural clay colloid (kaolinite) and a conservative chemical tracer (bromide) were applied to the system under a simulated rainfall event (64 mm/h). Effluent soil drainage and surface flow samples were collected to determine the breakthrough concentrations of bromide and kaolinite. Under the experimental conditions tested, our results showed that surface runoff dominated the transport processes. As a result, kaolinite and bromide were found more in surface flow than in soil drainage. Comparisons between the breakthrough concentrations of bromide and kaolinite showed that kaolinite had lower mobility than bromide in the subsurface flow (i.e., soil drainage), but behaved almost identical to bromide in the surface runoff. Student's t-test confirmed the difference between kaolinite and bromide in subsurface flow ( p = 0.02). Spearman's test and linear regression analysis, however, showed a strong 1:1 correlation between kaolinite and bromide in surface runoff ( p < 0.0001). Our result indicate that colloids and chemical solutes may behave similarly in overland flow on bare soils with limited drainage when surface runoff dominates the transport processes.
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
ERIC Educational Resources Information Center
Brody, Z. H.
The paper describes transportation problems encountered and solutions employed in delivering systems of comprehensive services to handicapped children in Anderson County, Tennessee, a predominantly rural area with considerable mountain area. Detailed are methods of transportation utilized in the four different program areas of the county special…
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)
Technology Transfer Automated Retrieval System (TEKTRAN)
Identification of flow and transport processes under natural boundary conditions in field soils is a complex task since most model parameters are not measurable at that scale. However, combining a numerical solution method of the governing flow and transport equations with an inverse optimization al...
Genetic analysis of mutants affected in the Pst inorganic phosphate transport system.
Cox, G B; Rosenberg, H; Downie, J A; Silver, S
1981-01-01
A number of mutant alleles affecting the Pst phosphate transport system have been divided into three complementation groups on the basis of constitutive alkaline phosphatase activity in appropriate partial diploid strains. The three complementation groups were represented by the alleles pstA2 and phoT32 and the newly described allele pstB401. The two alleles phoS28 and phoS21 appeared to be polar. The phoS28 allele affected both the phoT and pstB genes but not the pstA gene, whereas the phoS21 allele appeared to be a mutation in the pstA gene exerting polar effects on both the pstB and phoT genes. It was concluded that the three genes pstA, pstB, and phoT were part of an operon and that the phosphate-binding protein was not coded for by any of these genes. The phoS gene, defined as the structural gene for the phosphate-binding protein, is also part of the operon, but the phoS28 and phoS21 alleles are not mutations in the phoS gene and were reclassified as pho-28 and pho-21 alleles. The gene order was concluded to be pstA-(pstB-phoT)-phoS, with the pstA gene promotor proximal and the direction of transcription opposite to that of the nearby unc operon. Images PMID:7026529
Mauriat, Mélanie; Petterle, Anna; Bellini, Catherine; Moritz, Thomas
2014-05-01
Knowledge of processes involved in adventitious rooting is important to improve both fundamental understanding of plant physiology and the propagation of numerous plants. Hybrid aspen (Populus tremula × tremuloïdes) plants overexpressing a key gibberellin (GA) biosynthesis gene (AtGA20ox1) grow rapidly but have poor rooting efficiency, which restricts their clonal propagation. Therefore, we investigated the molecular basis of adventitious rooting in Populus and the model plant Arabidopsis. The production of adventitious roots (ARs) in tree cuttings is initiated from the basal stem region, and involves the interplay of several endogenous and exogenous factors. The roles of several hormones in this process have been characterized, but the effects of GAs have not been fully investigated. Here, we show that a GA treatment negatively affects the numbers of ARs produced by wild-type hybrid aspen cuttings. Furthermore, both hybrid aspen plants and intact Arabidopsis seedlings overexpressing AtGA20ox1, PttGID1.1 or PttGID1.3 genes (with a 35S promoter) produce few ARs, although ARs develop from the basal stem region of hybrid aspen and the hypocotyl of Arabidopsis. In Arabidopsis, auxin and strigolactones are known to affect AR formation. Our data show that the inhibitory effect of GA treatment on adventitious rooting is not mediated by perturbation of the auxin signalling pathway, or of the strigolactone biosynthetic and signalling pathways. Instead, GAs appear to act by perturbing polar auxin transport, in particular auxin efflux in hybrid aspen, and both efflux and influx in Arabidopsis. PMID:24547703
NASA Astrophysics Data System (ADS)
Rashki, A.; Kaskaoutis, D. G.; Francois, P.; Kosmopoulos, P. G.; Legrand, M.
2015-03-01
The present work examines the seasonality, dust-plume altitudinal variation and affected areas for dust storms originated from the Sistan region, southeastern Iran during the summer (June-September) months of the period 2001-2012 synthesizing local meteorological records, satellite observations (TOMS, OMI, METEOSAT, MODIS) and HYSPLIT forward trajectories. Dust-storm days (356 in total) are associated with visibility below 1 km at Zabol, Iran meteorological station with higher frequency and intensity in June and July. Monthly-mean composite maps of TOMS and OMI AI show high (>3-3.5) values over Sistan and nearby downwind areas. HYSPLIT forward-trajectory analysis at 500 m for air masses originated from Sistan on the dust-storm days shows that they usually follow an anti-clockwise transport direction at elevations usually below 2 km, initially moving southwards and then shifting to east-northeast when they are approaching the Arabian Sea coast. This is the result of the influence of the local topography and formation of thermal low-pressure systems over the arid lands. It is found that in few cases the dust storms from Sistan affect central/south Arabian Sea and India, while they control the aerosol loading over northernmost Arabian Sea. The Infrared Difference Dust Index (IDDI) images, which represent brightness temperature reduction due to dust presence over land, are used at specific periods of persistent dust storms over Sistan, confirming the main pathways of the dust plumes and illustrating the importance of the region as one of the most active dust sources in southwest Asia.
Food chain transport of nanoparticles affects behaviour and fat metabolism in fish.
Cedervall, Tommy; Hansson, Lars-Anders; Lard, Mercy; Frohm, Birgitta; Linse, Sara
2012-01-01
Nano-sized (10(-9)-10(-7) m) particles offer many technical and biomedical advances over the bulk material. The use of nanoparticles in cosmetics, detergents, food and other commercial products is rapidly increasing despite little knowledge of their effect on organism metabolism. We show here that commercially manufactured polystyrene nanoparticles, transported through an aquatic food chain from algae, through zooplankton to fish, affect lipid metabolism and behaviour of the top consumer. At least three independent metabolic parameters differed between control and test fish: the weight loss, the triglycerides∶cholesterol ratio in blood serum, and the distribution of cholesterol between muscle and liver. Moreover, we demonstrate that nanoparticles bind to apolipoprotein A-I in fish serum in-vitro, thereby restraining them from properly utilising their fat reserves if absorbed through ingestion. In addition to the metabolic effects, we show that consumption of nanoparticle-containing zooplankton affects the feeding behaviour of the fish. The time it took the fish to consume 95% of the food presented to them was more than doubled for nanoparticle-exposed compared to control fish. Since many nano-sized products will, through the sewage system, end up in freshwater and marine habitats, our study provides a potential bioassay for testing new nano-sized material before manufacturing. In conclusion, our study shows that from knowledge of the molecular composition of the protein corona around nanoparticles it is possible to make a testable molecular hypothesis and bioassay of the potential biological risks of a defined nanoparticle at the organism and ecosystem level. PMID:22384193
Tian, Houkuan; Yang, Yuhui; Ding, Jia; Liu, Wanglong; Zuo, Biao; Yang, Juping; Wang, Xinping
2014-09-01
The effect of the concentration of casting solutions on the surface dynamics of the corresponding spin-coated poly(methyl methacrylate) (PMMA) film was investigated by measuring the surface reorganization of fluorine tracer-labeled PMMA. The onset temperature of fluorinated PMMA chain end reorganization (T(onsetR)) was identified and is shown to depend on the PMMA concentration in the film-forming solution. It was found that the surface T(onsetR) and relaxation activation energy E(a) of the PMMA films prepared from 4.2 wt% PMMA cyclohexanone solution are 70 °C and 260 kJ mol(-1), respectively, which are higher than those of the PMMA films prepared from 0.8 wt% PMMA cyclohexanone solution (55 °C and 144 kJ mol(-1), respectively). The T(onsetR) and E(a) of PMMA films increased with increasing concentration of casting solutions within the range of 1.8 wt% to 4 wt%. The chain entanglement of PMMA chains is proposed to be the speculative origin for these observed depressed dynamics of poly(methyl methacrylate) chains on the films' surface prepared using casting solutions of various concentrations. PMID:25036734
Solute and heat transport model of the Henry and Hilleke laboratory experiment
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.
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.
Solution and Study of the Two-Dimensional Nodal Neutron Transport Equation
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)
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.
Solute and heat transport model of the Henry and hilleke laboratory experiment.
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
NASA Astrophysics Data System (ADS)
Shizgal, Bernie D.
2011-05-01
The study of the solution of the linearized Boltzmann equation has a very long history arising from the classic work by Chapman and Cowling. For small departures from a Maxwellian, the nonlinear Boltzmann equation can be linearized and the transport coefficients calculated with the Chapman-Enskog approach. This procedure leads to a set of linear integral equations which are generally solved with the expansion of the departure from Maxwellian in Sonine polynomials. The method has been used successfully for many decades to compare experimental transport data in atomic gases with theory generally carried out for realistic atom-atom differential cross sections. There are alternate pseudospectral methods which involve the discretization of the distribution function on a discrete grid. This paper considers a pseudospectral method of solution of the linearized hard sphere Boltzmann equation for the viscosity in a simple gas. The relaxation of a small departure from a Maxwellian is also considered for the linear test particle problem with unit mass ratio which is compared with the relaxation for the linearized one component Boltzmann equation.
Ensemble solute transport in two-dimensional operator-scaling random fields
NASA Astrophysics Data System (ADS)
Monnig, Nathan D.; Benson, David A.; Meerschaert, Mark M.
2008-02-01
Motivated by field measurements of aquifer hydraulic conductivity (K), recent techniques were developed to construct anisotropic fractal random fields in which the scaling, or self-similarity parameter, varies with direction and is defined by a matrix. Ensemble numerical results are analyzed for solute transport through these two-dimensional "operator-scaling" fractional Brownian motion ln(K) fields. Both the longitudinal and transverse Hurst coefficients, as well as the "radius of isotropy" are important to both plume growth rates and the timing and duration of breakthrough. It is possible to create operator-scaling fractional Brownian motion fields that have more "continuity" or stratification in the direction of transport. The effects on a conservative solute plume are continually faster-than-Fickian growth rates, highly non-Gaussian shapes, and a heavier tail early in the breakthrough curve. Contrary to some analytic stochastic theories for monofractal K fields, the plume growth rates never exceed A. Mercado's (1967) purely stratified aquifer growth rate of plume apparent dispersivity proportional to mean distance. Apparent superstratified growth must be the result of other demonstrable factors, such as initial plume size.
Kaplan, D.I.; Seme, R.J.; Piepkho, M.G.
1995-03-01
The concentration of low-level waste (LLW) contaminants in groundwater is determined by the amount of contaminant present in the solid waste, rate of release from the waste and surrounding barriers, and a number of geochemical processes including adsorption, desorption, diffusion, precipitation, and dissolution. To accurately predict radionuclide transport through the subsurface, it is essential that the important geochemical processes affecting radionuclide transport be identified and, perhaps more importantly, accurately quantified and described in a mathematically defensible manner.
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
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
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
Determining rates of chemical weathering in soils - Solute transport versus profile evolution
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
NASA Astrophysics Data System (ADS)
Jessen, Søren; Dahl Holmslykke, Hanne; Rasmussen, Kristine; Richardt, Niels; Engelund Holm, Peter
2014-05-01
Carbon dioxide emissions from thawing permafrost wetlands are an expected consequence of global warming. Addressing the pathways by which carbon is emitted, we investigated the hydrological and geochemical controls on the pore water chemistry of a permafrost wetland, with a shallow geological sequence comprising loam overlain by sphagnum peat, in Ilulissat, Greenland. A 400 m transect parallel to the general flow direction was established, along which water table measurements and slug tests were conducted, and the active layer thickness recorded (typically ~0.5 m). Also, in three detailed profiles along the transect, the vertical distributions of stable isotopes of water and major ion chemistry were investigated, by analysis of active layer pore water and water of melted core sections of permafrost. Concentrations of chloride (0.3-0.4 mM) did not show variation with depth, dismissing solute movement by ion freeze-out during fall freeze-up as a main control on the water chemistry. In addition, the observed vertical δ18O distribution did not to any extent conform to modelled Rayleigh distillation curves for the preferential inclusion of H218O into ice, which could be a scenario for fall freeze-up. The δ18O data therefore suggests either a rapid freeze-up or a simultaneous phase transition at all depths of the active layer, which in either case also would minimize potential ion freeze-out effects. Nevertheless, concentrations of major ions generally increased with depth. A conceptual model for water and solute transport was therefore established, according to which solutes are mobilized by weathering reactions in the loam and then transported upwards to the peat by diffusion. In the peat, lateral advective solute transport dominates. We applied the model to observed profiles of Ca, Mg, HCO3 and the partial CO2 pressure (PCO2). Concentrations of Ca, Mg and HCO3 increased with depth, reaching ~2 mM, ~2 mM and ~8 meq/L at the bottom of the active layer. Pore water at
A large-scale field experiment on natural gradient transport of solutes in groundwater has been conducted at a site in Borden, Ontario. Well-defined initial conditions were achieved by the pulse injection of 12 cu m of a uniform solution containing known masses of two inorganic t...
Solute transport modeling under cultivated sandy soils and transient water regime.
Gasser, M O; Caron, J; Laverdière, M R; Lagacé, R
2002-01-01
Drainable lysimeters offer the possibility to integrate heterogeneous solute leaching conditions caused by row crops and transient water regime, and to conveniently measure water and solute fluxes at the drainage outlet. To compare solute leaching behavior in and around drainable lysimeters operating under a transient water regime in potato (Solanum tuberosum L.) fields, parameters of the convective lognormal transfer (CLT) function model were fitted using bromide (Br-) flux concentrations (Cf) measured in lysimeters and from Br- resident concentrations (Cr) measured in adjacent soil cores. Expected mean values Ez(I) obtained from Cr and Cf CLT parameters were equivalent and well correlated (R2 = 0.78). However, estimated median values mu of the CLT function were smaller when derived from Cr (1.05 to 1.28) compared with Cf (1.23 to 2.14). Most mu values were also smaller than previously reported values for a 30-cm reference depth, indicating that 50% of solute mass would leach more readily in these coarse sandy soils. Higher variance and dispersion of Cr compared with those of Cf could be related to a smaller sampling support (sample size/sampling area) in the case of Cr measured by soil coring, or to disruption of solute transport mechanisms in the repacked lysimeter. Retained Br- in the top soil layer after 12 to 17 cm of cumulative drainage was indicated by measured Cr. Neither CLT function simulated well residual topsoil Cr values, indicating that Br- plant cycling or preferential flow probably interfered even though tuber Br- uptake was relatively small. PMID:12371192
Zhou, Jiawei
2016-01-01
Klotho (KL), originally discovered as an aging suppressor, is a membrane protein that shares sequence similarity with the β-glucosidase enzymes. Recent reports showed Klotho might play a role in adipocyte maturation and systemic glucose metabolism. However, little is known about the transcription factors involved in regulating the expression of porcine KL gene. Deletion fragment analysis identified KL-D2 (−418 bp to −3 bp) as the porcine KL core promoter. MARC0022311SNP (A or G) in KL intron 1 was detected in Landrace × DIV pigs using the Porcine SNP60 BeadChip. The pGL-D2-A and pGL-D2-G were constructed with KL-D2 and the intron fragment of different alleles and relative luciferase activity of pGL3-D2-G was significantly higher than that of pGL3-D2-A in the PK cells and ST cells. This was possibly the result of a change in KL binding ability with transcription factor organic cation transporter 1 (OCT-1), which was confirmed using electrophoretic mobility shift assays (EMSA) and chromatin immune-precipitation (ChIP). Moreover, OCT-1 regulated endogenous KL expression by RNA interference experiments. Our study indicates SNP MARC0022311 affects porcine KL expression by regulating its promoter activity via OCT-1. PMID:27478698
Li, Yan; Wang, Lei; Zhou, Jiawei; Li, Fenge
2016-01-01
Klotho (KL), originally discovered as an aging suppressor, is a membrane protein that shares sequence similarity with the β-glucosidase enzymes. Recent reports showed Klotho might play a role in adipocyte maturation and systemic glucose metabolism. However, little is known about the transcription factors involved in regulating the expression of porcine KL gene. Deletion fragment analysis identified KL-D2 (-418 bp to -3 bp) as the porcine KL core promoter. MARC0022311SNP (A or G) in KL intron 1 was detected in Landrace × DIV pigs using the Porcine SNP60 BeadChip. The pGL-D2-A and pGL-D2-G were constructed with KL-D2 and the intron fragment of different alleles and relative luciferase activity of pGL3-D2-G was significantly higher than that of pGL3-D2-A in the PK cells and ST cells. This was possibly the result of a change in KL binding ability with transcription factor organic cation transporter 1 (OCT-1), which was confirmed using electrophoretic mobility shift assays (EMSA) and chromatin immune-precipitation (ChIP). Moreover, OCT-1 regulated endogenous KL expression by RNA interference experiments. Our study indicates SNP MARC0022311 affects porcine KL expression by regulating its promoter activity via OCT-1. PMID:27478698
Quantum dynamics in continuum for proton transport II: Variational solvent-solute interface.
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
Buoyancy-driven flow in a peat moss layer as a mechanism for solute transport
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
NASA Astrophysics Data System (ADS)
Chen, Jui-Sheng; Jang, Cheng-Shin; Cheng, Chung-Ting; Liu, Chen-Wuing
2010-09-01
SummaryThis study presents a novel mathematical model for describing the transport of the remedial reagent in a vertical circulation flow field in an anisotropic aquifer. To develop the mathematical model, the radial and vertical components of the pore water velocity are calculated first by using an analytical solution for steady-state drawdown distribution near a vertical circulation well. Next, the obtained radial and vertical components of the pore water velocity are then incorporated into a three-dimensional axisymmetrical advection-dispersion equation in cylindrical coordinates from which to build the reagent transport equation. The Laplace transform finite difference technique is applied to solve the three-dimensional axisymmetrical advection-dispersion equation with spatial variable-dependent coefficients. The developed mathematical model is used to investigate the effects of various parameters such as hydraulic conductivity anisotropy, longitudinal and transverse dispersivities, the placement of the extraction and injection screened intervals of the vertical circulation well and the injection modes on the transport regime of the remedial reagent. Results show that those parameters have different degrees of impacts on the distribution of the remedial reagent. The mathematical model provides an effective tool for designing and operating an enhanced groundwater remediation in an anisotropic aquifer using the vertical circulation well technology.
All-solution-processed inverted organic solar cell with a stacked hole-transporting layer
NASA Astrophysics Data System (ADS)
Lin, Wen-Kai; Su, Shui-Hsiang; Liu, Che-Chun; Yokoyama, Meiso
2014-11-01
In this study, inverted organic solar cells (IOSCs) have been fabricated and characterized. A sol-gel zinc oxide (ZnO) film is used as a hole-blocking layer (HBL). Poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) and copper phthalocyanine (CuPc) are used as a hole-transporting layer (HTL). The HBL, active layer, and HTL films are fabricated by spin-coating technique. The anode is fabricated from Ag nanoparticles by drop titration using a Pasteur burette. Experimental results show that the PEDOT:PSS/CuPc stacked HTL provides a stepwise hole-transporting energy diagram configuration, which subsequently increases the charge carrier transporting capability and extracts holes from the active layer to the anode. The characteristics of the IOSCs were optimized and exhibited an open-circuit voltage (Voc), short-circuit current density (Jsc), fill factor (FF), and power conversion efficiency (PCE) of 0.53 V, 6.13 mA/cm2, 37.53%, and 1.24%, respectively, under simulated AM1.5G illumination of 100 mW/cm2. Hence, a solution process is feasible for fabricating low-cost and large-area solar energy devices.
Controlling the transport of an ion: classical and quantum mechanical solutions
NASA Astrophysics Data System (ADS)
Fürst, H. A.; Goerz, M. H.; Poschinger, U. G.; Murphy, M.; Montangero, S.; Calarco, T.; Schmidt-Kaler, F.; Singer, K.; Koch, C. P.
2014-07-01
The accurate transport of an ion over macroscopic distances represents a challenging control problem due to the different length and time scales that enter and the experimental limitations on the controls that need to be accounted for. Here, we investigate the performance of different control techniques for ion transport in state-of-the-art segmented miniaturized ion traps. We employ numerical optimization of classical trajectories and quantum wavepacket propagation as well as analytical solutions derived from invariant based inverse engineering and geometric optimal control. The applicability of each of the control methods depends on the length and time scales of the transport. Our comprehensive set of tools allows us make a number of observations. We find that accurate shuttling can be performed with operation times below the trap oscillation period. The maximum speed is limited by the maximum acceleration that can be exerted on the ion. When using controls obtained from classical dynamics for wavepacket propagation, wavepacket squeezing is the only quantum effect that comes into play for a large range of trapping parameters. We show that this can be corrected by a compensating force derived from invariant based inverse engineering, without a significant increase in the operation time.
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.
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.
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.
Spin-Related Transport Affected by Competition Between Spin-Orbit Interaction and Zeeman Effect
NASA Astrophysics Data System (ADS)
Nitta, Junsaku
The spin dynamics in solid state systems is governed by the competition between spin-orbit interaction (SOI) and the Zeeman effect. The SOI couples orbital motion of electron spins with an electric field. The Zeeman effect lifts the spin degeneracy in a magnetic field. In InGaAs-based 2DEGs, it is known that the Rashba SOI energy ESOI can be controlled by an electric field applied on the gate electrode.1 In the presence of SOI, weak localization (WL) due to time reversal symmetric interference changes to weak anti-localization (WAL). We have found crossover from WL to WAL by applying the gate voltage in InGaAs 2DEGs. Applying an in-plane magnetic field to the 2DEG does not affect the orbital motion of the electrons, but only modifies the Zeeman spin splitting energy EZ. This allows tuning the ratio between ESOI and EZ very accurately. We have studied how the interplay between SOI and Zeeman coupling affects the electron transport and the spin dynamics in InGaAs-based 2DEGs. From the quantitative analysis of the magnetoconductance, measured in the presence of an in-plane magnetic field, we conclude that this interplay results in a spin-induced breaking of time reversal symmetry (TRS) and in an enhancement of the spin relaxation time. Both effects are due to a partial alignment of the electron spin along the applied magnetic field, and are found to be in excellent agreement with recent theoretical predictions.2 We find that the electron dephasing time saturates when EZ becomes comparable to ESOI. Moreover, we show that the spin-induced electron dephasing time is a universal function of the ratio EZ/ESOI within the experimental accuracy, i.e. it is independent of any details of the quantum well.3 This universal behavior is explained by the recent theory.4 The suppression of WAL is observed by applying in-plane magnetic field because of the enhancement of the spin relaxation time, and this suppression also appears in narrow InGaAs wires since the effective magnetic
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
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. PMID:26806687
NASA Astrophysics Data System (ADS)
Zheng, Zuoping; Zhang, Guoxiang; Wan, Jiamin
2008-04-01
Leakage of saline-alkaline tank waste solutions often creates a serious environmental contamination problem. To better understand the mechanisms controlling the fate of such waste solutions in the Hanford vadose zone, we simulated reactive transport in columns designed to represent local site conditions. The Pitzer ion interaction module was used, with principal geochemical processes considered in the simulation including quartz dissolution, precipitation of brucite, calcite, and portlandite, multi-component cation exchange, and aqueous complexation reactions. Good matches were observed between the simulated and measured column data at ambient temperature (˜ 21 °C). Relatively good agreement was also obtained at high temperature (˜ 70 °C). The decrease of pH at the plume front is examined through formation of secondary mineral phases and/or quartz dissolution. Substantial formation of secondary mineral phases resulting from multi-component cation exchange suggests that these phases are responsible for a decrease in pH within the plume front. In addition, a sensitivity analysis was conducted with respect to cation exchange capacity, selectivity coefficient, mineral assemblage, temperature, and ionic strength. This study could serve as a useful guide to subsequent experimental work, to thermodynamic models developed for the concentrated solutions at high ionic strength and to other types of waste plume studies.
Zheng, Zuoping; Zhang, Guoxiang; Wan, Jiamin
2008-04-01
Leakage of saline-alkaline tank waste solutions often creates a serious environmental contamination problem. To better understand the mechanisms controlling the fate of such waste solutions in the Hanford vadose zone, we simulated reactive transport in columns designed to represent local site conditions. The Pitzer ion interaction module was used, with principal geochemical processes considered in the simulation including quartz dissolution, precipitation of brucite, calcite, and portlandite, multi-component cation exchange, and aqueous complexation reactions. Good matches were observed between the simulated and measured column data at ambient temperature ( approximately 21 degrees C). Relatively good agreement was also obtained at high temperature ( approximately 70 degrees C). The decrease of pH at the plume front is examined through formation of secondary mineral phases and/or quartz dissolution. Substantial formation of secondary mineral phases resulting from multi-component cation exchange suggests that these phases are responsible for a decrease in pH within the plume front. In addition, a sensitivity analysis was conducted with respect to cation exchange capacity, selectivity coefficient, mineral assemblage, temperature, and ionic strength. This study could serve as a useful guide to subsequent experimental work, to thermodynamic models developed for the concentrated solutions at high ionic strength and to other types of waste plume studies. PMID:18313795
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.
NASA Astrophysics Data System (ADS)
Lee, Jeonghoon; Feng, Xiahong; Posmentier, Eric S.; Faiia, Anthony M.; Osterhuber, Randall; Kirchner, James W.
2008-02-01
We report a study of solute transport in snow, using artificial rain-on-snow experiments with conservative anions (F-, Br-, and SO42-). The tracers were mixed into tap water and sprayed onto the snow surface from two water supply tanks. The water flux out of the base of the snowpack was recorded, and discharge samples were collected and analyzed for the three tracers. The chemical concentration of tracers in the discharge was negatively associated with the water flux. The objectives of the experiment were to test whether the mobile-immobile model (MIM) with variable mobile-immobile water exchange coefficient can simulate both positive and negative concentration-discharge relationships in this and previous tracer experiments. By simulating our experimental data, we confirm that it is necessary for the exchange coefficient to increase with water velocity. In addition, we use the model to show that with a diurnal variation of clean water flux, a negative concentration-discharge relationship occurs when solutes are evenly distributed in the mobile and immobile fluids, while a positive relationship occurs when the solutes were present only in the immobile fluid near the surface. This result may help in explaining the complicated concentration-discharge relationships observed in catchments.
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.
Reactive solute transport in streams. 2. Simulation of a pH modification experiment
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.
Aubertin, Gaëlle; Choquet, Philippe; Dheu, Céline; Constantinesco, André; Ratomponirina, Charline; Zaloszyc, Ariane; Passlick-Deetjen, Jutta; Fischbach, Michel
2012-01-01
This study compares different peritoneal dialysis fluids (PDF) in rats over a short contact time. For greater accuracy, net ultrafiltration (UF) and peritoneal transport indices, mass transfer area coefficient (MTAC) were scaled for the in vivo peritoneal surface area recruited (ivPSA) measured by microcomputerized tomography. Wistar rats underwent nephrectomy (5/6ths), were randomized into two groups and given 1.5% glucose PDF, either conventional acidic lactate (n = 14) or pH neutral bicarbonate (BicaVera) (n = 13); MTAC and UF were measured using a 90-min peritoneal equilibrium test (PET), fill volume (IPV) of 10 ml/100 g; small pore fluid transport was determined from sodium balance and used to calculate free water transport (FWT). Each ivPSA value was significantly correlated with the actual IPV, which varied from one rat to another. At 90 min of contact, there was no difference in recruited ivPSA in relation to PDFs. There was a difference (p < 0.01) in net UF/ivPSA 0.45 vs. 1.41 cm(2)/ml for bicarbonate versus lactate, as there was in the proportion of FWT with bicarbonate (42 ± 5% of net UF) compared to lactate (29 ± 4% of net UF). Net UF for individual values of ivPSA differs between conventional PDF and more biocompatible solutions, such as bicarbonate PDF. This observed change in UF cannot be fully explained by differences in glucose transport. The changes in FWT may be explained by the impact of the PDF biocompatibility on aquaporin function. PMID:21744055
Solute Transport in Growth Plate Cartilage: In Vitro and In Vivo
Williams, Rebecca M.; Zipfel, Warren R.; Tinsley, Michelle L.; Farnum, Cornelia E.
2007-01-01
Bone elongation originates from cartilaginous discs (growth plates) at both ends of a growing bone. Here chondrocytes proliferate and subsequently enlarge (hypertrophy), laying down a matrix that serves as the scaffolding for subsequent bone matrix deposition. Because cartilage is generally avascular, all nutrients, oxygen, signaling molecules, and waste must be transported relatively long distances through the tissue for it to survive and function. Here we examine the transport properties of growth plate cartilage. Ex vivo, fluorescence photobleaching recovery methods are used in tissue explants. In vivo, multiphoton microscopy is used to image through an intact perichondrium and into the cartilage of anesthetized mice. Systemically introduced fluorescent tracers are monitored directly as they move from the vasculature into the cartilage. We demonstrate the existence of a relatively permissive region at the midplane of the growth plate, where chondrocytes transition from late proliferative to early hypertrophic stages and where paracrine communication is known to occur between chondrocytes and cells in the surrounding perichondrium. Transport in the living mouse is also significantly affected by fluid flow from the two chondro-osseus junctions, presumably resulting from a pressure difference between the bone vasculature and the cartilage. PMID:17496046
Lung vitamin E transport processes are affected by both age and environmental oxidants in mice
Valacchi, Giuseppe . E-mail: gvalacchi@ucdavis.edu; Vasu, Vihas T.; Yokohama, Wallace; Corbacho, Ana M.; Phung, Anh; Lim, Yunsook; Aung, Hnin Hnin; Cross, Carroll E.; Davis, Paul A.
2007-07-15
Despite the physiological importance of alpha-tocopherol (AT), the molecular mechanisms involved in maintaining cellular and tissue tocopherol levels remain to be fully characterized. Scavenger receptor B1 (SRB1), one of a large family of scavenger receptors, has been shown to facilitate AT transfer from HDL to peripheral tissues via apo A-1-mediated processes and to be important in the delivery of AT to the lung cells. In the present studies the effects of age and two environmental oxidants ozone (O{sub 3}) (0.25 ppm 6 h/day) and cigarette smoke (CS) (60 mg/m{sup 3} 6 h/day) for 4 days on selected aspects of AT transport in murine lung tissues were assessed. While AT levels were 25% higher (p < 0.05) and 15% lower (p < 0.05) in plasma and lung tissue, respectively, in aged versus young mice, acute environmental exposure to O{sub 3} or CS at the doses used had no effect. Gene expression levels, determined by RT-PCR of AT transport protein (ATTP), SRB1, CD36, ATP binding cassette 3 (ABCA3) and ABCA1 and protein levels, determined by Western blots for SRB1, ATTP and ABCA1 were assessed. Aged mouse lung showed a lower levels of ATTP, ABCA3 and SRB1 and a higher level CD36 and ABCA1. Acute exposure to either O{sub 3} or CS induced declines in ATTP and SRB1 in both aged and young mice lung. CD36 increased in both young and aged mice lung upon exposure to O{sub 3} and CS. These findings suggest that both age and environmental oxidant exposure affect pathways related to lung AT homeostasis and do so in a way that favors declines in lung AT. However, given the approach taken, the effects cannot be traced to changes in these pathways or AT content in any specific lung associated cell type and thus highlight the need for further follow-up studies looking at specific lung associated cell types.
NASA Astrophysics Data System (ADS)
Rice, Stephen; Pledger, Andrew; Smith, James; Toone, Julia
2016-04-01
Many species of fish are benthivorous - they forage for food in the river bed - and their foraging disturbs, displaces and sorts bed materials with implications for fluvial sediment transport. Flume experiments have confirmed that benthic foraging by Barbel (Barbus barbus (L.)) and Chub (Squalius cephalus (L.)) modifies the structure and topography of water-worked gravels, thereby increasing particle entrainment probabilities and the quantity of sediment mobilised during experimental high flows. Field experiments and observations have demonstrated the impact of foraging on patch-scale bed disturbance, gravel structure, grain displacements and grain-size sorting. Initial ex-situ experiments support the suggestion that in low gradient rivers, shoals of fish like Bream (Abramis brama (L.)) entrain fine bed sediments, adding a biotic surcharge to the suspended sediment flux and modifying bed topography. These results underpin a novel proposal: that there is an aggregate, cumulative effect of benthic foraging on fluvial sediment transport at larger scales, including at scales where the contribution to sediment movement and river channel behaviour generates management concerns. Evaluating this proposal is a long-term goal, which is based on two intermediate objectives: to develop deeper mechanistic understanding of foraging impacts and to establish the spatial and temporal extent of geomorphologically significant feeding behaviours in river systems. The latter is crucial because field data are currently limited to a single reach on one UK river. It is reasonable to hypothesise that foraging impacts are spatially and temporally widespread because obligate and opportunistic benthic feeding is common and fish feed throughout their life. However, the effectiveness of foraging as a geomorphological process is likely to vary with factors including substrate size, fish community composition, food availability, water temperature, river flows and seasonal changes in fish
Wang, Guohui; Um, Wooyong
2012-11-23
Highly alkaline nuclear waste solutions have been released from underground nuclear waste storage tanks and pipelines into the vadose zone at the U.S. Department of Energy’s Hanford Site in Washington, causing mineral dissolution and re-precipitation upon contact with subsurface sediments. High pH caustic NaNO3 solutions with and without dissolved Al were reacted with quartz sand through flow-through columns stepwise at 45, 51, and 89°C to simulate possible reactions between leaked nuclear waste solution and primary subsurface mineral. Upon reaction, Si was released from the dissolution of quartz sand, and nitrate-cancrinite [Na8Si6Al6O24(NO3)2] precipitated on the quartz surface as a secondary mineral phase. Both steady-state dissolution and precipitation kinetics were quantified, and quartz dissolution apparent activation energy was determined. Mineral alteration through dissolution and precipitation processes results in pore volume and structure changes in the subsurface porous media. In this study, the column porosity increased up to 40.3% in the pure dissolution column when no dissolved Al was present in the leachate, whereas up to a 26.5% porosity decrease was found in columns where both dissolution and precipitation were observed because of the presence of Al in the input solution. The porosity change was also confirmed by calculation using the dissolution and precipitation rates and mineral volume changes.