Combinatorial model of solute transport in porous media
Institute of Scientific and Technical Information of China (English)
张妙仙; 张丽萍
2004-01-01
Modeling of solute transport is a key issue in the area of soil physics and hydrogeology. The most common approach (the convection-dispersion equation) considers an average convection flow rate and Fickian-like dispersion. Here,we propose a solute transport model in porous media of continuously expanding scale, according to the combinatorics principle. The model supposed actual porous media as a combinative body of many basic segments. First, we studied the solute transport process in each basic segment body, and then deduced the distribution of pore velocity in each basic segment body by difference approximation, finally assembled the solute transport process of each basic segment body into one of the combinative body. The simulation result coincided with the solute transport process observed in test. The model provides useful insight into the solute transport process of the non-Fickian dispersion in continuously expanding scale.
Kulasiri, Don
2002-01-01
Most of the natural and biological phenomena such as solute transport in porous media exhibit variability which can not be modeled by using deterministic approaches. There is evidence in natural phenomena to suggest that some of the observations can not be explained by using the models which give deterministic solutions. Stochastic processes have a rich repository of objects which can be used to express the randomness inherent in the system and the evolution of the system over time. The attractiveness of the stochastic differential equations (SDE) and stochastic partial differential equations (SPDE) come from the fact that we can integrate the variability of the system along with the scientific knowledge pertaining to the system. One of the aims of this book is to explaim some useufl concepts in stochastic dynamics so that the scientists and engineers with a background in undergraduate differential calculus could appreciate the applicability and appropriateness of these developments in mathematics. The ideas ...
A quasilinear model for solute transport under unsaturated flow
Energy Technology Data Exchange (ETDEWEB)
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.
Modelling multicomponent solute transport in structured soils
Beinum, van G.W.
2007-01-01
The mobility of contaminants in soil is an important factor in determining their ability to spread into the wider environment. For non-volatile substances, transport within the soil is generally dominated by transport of dissolved fractions in the soil water phase, via either diffusion or convection
Combined physical and chemical nonequilibrium transport model for solution conduits.
Field, Malcolm S; Leij, Feike J
2014-02-01
Solute transport in karst aquifers is primarily constrained to relatively complex and inaccessible solution conduits where transport is often rapid, turbulent, and at times constrictive. Breakthrough curves generated from tracer tests in solution conduits are typically positively-skewed with long tails evident. Physical nonequilibrium models to fit breakthrough curves for tracer tests in solution conduits are now routinely employed. Chemical nonequilibrium processes are likely important interactions, however. In addition to partitioning between different flow domains, there may also be equilibrium and nonequilibrium partitioning between the aqueous and solid phases. A combined physical and chemical nonequilibrium (PCNE) model was developed for an instantaneous release similar to that developed by Leij and Bradford (2009) for a pulse release. The PCNE model allows for partitioning open space in solution conduits into mobile and immobile flow regions with first-order mass transfer between the two regions to represent physical nonequilibrium in the conduit. Partitioning between the aqueous and solid phases proceeds either as an equilibrium process or as a first-order process and represents chemical nonequilibrium for both the mobile and immobile regions. Application of the model to three example breakthrough curves demonstrates the applicability of the combined physical and chemical nonequilibrium model to tracer tests conducted in karst aquifers, with exceptionally good model fits to the data. The three models, each from a different state in the United States, exhibit very different velocities, dispersions, and other transport properties with most of the transport occurring via the fraction of mobile water. Fitting the model suggests the potentially important interaction of physical and chemical nonequilibrium processes.
The secret to successful solute-transport modeling
Konikow, L.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
DEFF Research Database (Denmark)
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...... 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...
Assessing uncertainties in solute transport models: Upper Narew case study
Osuch, M.; Romanowicz, R.; Napiórkowski, J. J.
2009-04-01
This paper evaluates uncertainties in two solute transport models based on tracer experiment data from the Upper River Narew. Data Based Mechanistic and transient storage models were applied to Rhodamine WT tracer observations. We focus on the analysis of uncertainty and the sensitivity of model predictions to varying physical parameters, such as dispersion and channel geometry. An advection-dispersion model with dead zones (Transient Storage model) adequately describes the transport of pollutants in a single channel river with multiple storage. The applied transient storage model is deterministic; it assumes that observations are free of errors and the model structure perfectly describes the process of transport of conservative pollutants. In order to take into account the model and observation errors, an uncertainty analysis is required. In this study we used a combination of the Generalized Likelihood Uncertainty Estimation technique (GLUE) and the variance based Global Sensitivity Analysis (GSA). The combination is straightforward as the same samples (Sobol samples) were generated for GLUE analysis and for sensitivity assessment. Additionally, the results of the sensitivity analysis were used to specify the best parameter ranges and their prior distributions for the evaluation of predictive model uncertainty using the GLUE methodology. Apart from predictions of pollutant transport trajectories, two ecological indicators were also studied (time over the threshold concentration and maximum concentration). In particular, a sensitivity analysis of the length of "over the threshold" period shows an interesting multi-modal dependence on model parameters. This behavior is a result of the direct influence of parameters on different parts of the dynamic response of the system. As an alternative to the transient storage model, a Data Based Mechanistic approach was tested. Here, the model is identified and the parameters are estimated from available time series data using
Coarse grained modeling of transport properties in monoclonal antibody solution
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.
Stollenwerk, K.G.
1998-01-01
A natural-gradient tracer test was conducted in an unconfined sand and gravel aquifer on Cape Cod, Massachusetts. Molybdate was included in the injectate to study the effects of variable groundwater chemistry on its aqueous distribution and to evaluate the reliability of laboratory experiments for identifying and quantifying reactions that control the transport of reactive solutes in groundwater. Transport of molybdate in this aquifer was controlled by adsorption. The amount adsorbed varied with aqueous chemistry that changed with depth as freshwater recharge mixed with a plume of sewage-contaminated groundwater. Molybdate adsorption was strongest near the water table where pH (5.7) and the concentration of the competing solutes phosphate (2.3 micromolar) and sulfate (86 micromolar) were low. Adsorption of molybdate decreased with depth as pH increased to 6.5, phosphate increased to 40 micromolar, and sulfate increased to 340 micromolar. A one-site diffuse-layer surface-complexation model and a two-site diffuse-layer surface-complexation model were used to simulate adsorption. Reactions and equilibrium constants for both models were determined in laboratory experiments and used in the reactive-transport model PHAST to simulate the two-dimensional transport of molybdate during the tracer test. No geochemical parameters were adjusted in the simulation to improve the fit between model and field data. Both models simulated the travel distance of the molybdate cloud to within 10% during the 2-year tracer test; however, the two-site diffuse-layer model more accurately simulated the molybdate concentration distribution within the cloud.
[Solute transport modeling application in groundwater organic contaminant source identification].
Wang, Shu-Fang; Wang, Li-Ya; Wang, Xiao-Hong; Lin, Pei; Liu, Jiu-Rong; Xin, Bao-Dong; He, Guo-Ping
2012-03-01
Investigation and numerical simulation, based on RT3D (reactive transport in 3-dimensions)were used to identify the source of tetrachloroethylene (PCE) and trichloroethylene (TCE) in the groundwater of a city in the north of China and reverse the input intensity. Multiple regressions were applied to analyze the influenced factors of input intensity of PCE and TCE using Stepwise function in Matlab. The results indicate that the factories and industries are the source of the PCE and TCE in groundwater. Natural attenuation was identified and the natural attenuation rates are 93.15%, 61.70% and 61.00% for PCE, and 70.05%, 73.66% and 63.66% for TCE in 173 days. The 4 source points identified by the simulation have released 0.910 6 kg PCE and 95.693 8 kg TCE during the simulation period. The regression analysis results indicate that local precipitation and the thickness of vadose zone are the main factors influencing organic solution transporting from surface to groundwater. The PCE and TCE concentration are found to be 0 and 5 mg x kg(-1) from surface to 35 cm in vadose zone. All above results suggest that PCE and TCE in groundwater are from the source in the surface. Natural attenuation occurred when PCE and TCE transporting from the surface to groundwater, and the rest was transported to groundwater through vadose zone. Local precipitation was one of the critical factors influencing the transportation of PCE and TCE to aquifer through sand, pebble and gravel of the Quaternary.
Institute of Scientific and Technical Information of China (English)
黎勇; 陈丽
2002-01-01
In this paper, we study the asymptotic behavior of global smooth solution to the initial boundary problem for the 1-D energy transport model in semiconductor science. We prove that the smooth solution of the problem converges to a stationary solution exponentially fast as t - ∞ when the initial data is a small perturbation of the stationary solution.
Joshi, Nitin; Ojha, C. S. P.; Sharma, P. K.
2012-10-01
In this study a conceptual model that accounts for the effects of nonequilibrium contaminant transport in a fractured porous media is developed. Present model accounts for both physical and sorption nonequilibrium. Analytical solution was developed using the Laplace transform technique, which was then numerically inverted to obtain solute concentration in the fracture matrix system. The semianalytical solution developed here can incorporate both semi-infinite and finite fracture matrix extent. In addition, the model can account for flexible boundary conditions and nonzero initial condition in the fracture matrix system. The present semianalytical solution was validated against the existing analytical solutions for the fracture matrix system. In order to differentiate between various sorption/transport mechanism different cases of sorption and mass transfer were analyzed by comparing the breakthrough curves and temporal moments. It was found that significant differences in the signature of sorption and mass transfer exists. Applicability of the developed model was evaluated by simulating the published experimental data of Calcium and Strontium transport in a single fracture. The present model simulated the experimental data reasonably well in comparison to the model based on equilibrium sorption assumption in fracture matrix system, and multi rate mass transfer model.
Dam, van J.C.
2000-01-01
Water flow and solute transport in top soils are important elements in many environmental studies. The agro- and ecohydrological model SWAP (Soil-Water-Plant-Atmosphere) has been developed to simulate simultaneously water flow, solute transport, heat flow and crop growth at field scale level. The ma
Stochastic models of solute transport in highly heterogeneous geologic media
Energy Technology Data Exchange (ETDEWEB)
Semenov, V.N.; Korotkin, I.A.; Pruess, K.; Goloviznin, V.M.; Sorokovikova, O.S.
2009-09-15
A stochastic model of anomalous diffusion was developed in which transport occurs by random motion of Brownian particles, described by distribution functions of random displacements with heavy (power-law) tails. One variant of an effective algorithm for random function generation with a power-law asymptotic and arbitrary factor of asymmetry is proposed that is based on the Gnedenko-Levy limit theorem and makes it possible to reproduce all known Levy {alpha}-stable fractal processes. A two-dimensional stochastic random walk algorithm has been developed that approximates anomalous diffusion with streamline-dependent and space-dependent parameters. The motivation for introducing such a type of dispersion model is the observed fact that tracers in natural aquifers spread at different super-Fickian rates in different directions. For this and other important cases, stochastic random walk models are the only known way to solve the so-called multiscaling fractional order diffusion equation with space-dependent parameters. Some comparisons of model results and field experiments are presented.
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...
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)
On the multiplicity of solutions of the nonlinear reactive transport model
Directory of Open Access Journals (Sweden)
Elyas Shivanian
2014-06-01
Full Text Available The generalization of the nonlinear reaction–diffusion model in porous catalysts the so called one dimensional steady state reactive transport model is revisited. This model, which originates also in fluid and solute transport in soft tissues and microvessels, has been recently given analytical solution in terms of Taylor’s series for different families of reaction terms. This article considers the mentioned model without advective transport in the case of including Michaelis–Menten reaction term and shows that it is exactly solvable and furthermore, gives analytical exact solution in the implicit form for further physical interpretation. It is also revealed that the problem may admit unique or dual or even more triple solutions in some domains for the parameters of the model.
Cellular automaton model of precipitation/dissolution coupled with solute transport
Karapiperis, T
1995-01-01
ABSTRACT Precipitation/dissolution reactions coupled with solute transport are modelled as a cellular automaton in which solute molecules perform a random walk on a regular lattice and react according to a local probabilistic rule. Stationary solid particles dissolve with a certain probability and, provided solid is already present or the solution is saturated, solute particles have a probability to precipitate. In our simulation of the dissolution of a solid block inside uniformly flowing water we obtain solid precipitation downstream from the original solid edge, in contrast to the standard reaction-transport equations. The observed effect is the result of fluctuations in solute density and diminishes when we average over a larger ensemble. The additional precipitation of solid is accompanied by a substantial reduction in the relatively small solute concentration. The model is appropriate for the study of the rôle of intrinsic fluctuations in the presence of reaction thresholds and can be employed to inves...
Modeling solute transport in distribution networks with variable demand and time step sizes.
Energy Technology Data Exchange (ETDEWEB)
Peyton, Chad E.; Bilisoly, Roger Lee; Buchberger, Steven G. (University of Cincinnati, Cincinnati, OH); 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 comprehensive one-dimensional numerical model for solute transport in rivers
Barati Moghaddam, Maryam; Mazaheri, Mehdi; MohammadVali Samani, Jamal
2017-01-01
One of the mechanisms that greatly affect the pollutant transport in rivers, especially in mountain streams, is the effect of transient storage zones. The main effect of these zones is to retain pollutants temporarily and then release them gradually. Transient storage zones indirectly influence all phenomena related to mass transport in rivers. This paper presents the TOASTS (third-order accuracy simulation of transient storage) model to simulate 1-D pollutant transport in rivers with irregular cross-sections under unsteady flow and transient storage zones. The proposed model was verified versus some analytical solutions and a 2-D hydrodynamic model. In addition, in order to demonstrate the model applicability, two hypothetical examples were designed and four sets of well-established frequently cited tracer study data were used. These cases cover different processes governing transport, cross-section types and flow regimes. The results of the TOASTS model, in comparison with two common contaminant transport models, shows better accuracy and numerical stability.
Solute transport modeling using morphological parameters of step-pool reaches
JiméNez, Mario A.; Wohl, Ellen
2013-03-01
Step-pool systems have been widely studied during the past few years, resulting in enhanced knowledge of mechanisms for sediment transport, energy dissipation and patterns of self-organization. We use rhodamine tracer data collected in nine step-pool reaches during high, intermediate and low flows to explore scaling of solute transport processes. Using the scaling patterns found, we propose an extension of the Aggregated Dead Zone (ADZ) approach for solute transport modeling based on the morphological features of step-pool units and their corresponding inherent variability within a stream reach. In addition to discharge, the reach-average bankfull width, mean step height, and the ratio of pool length to step-to-step length can be used as explanatory variables for the dispersion process within the studied reaches. These variables appeared to be sufficient for estimating ADZ model parameters and simulating solute transport in predictive mode for applications in reaches lacking tracer data.
Reactive Solute Transport in Streams: 1. Development of an Equilibrium-Based Model
Runkel, Robert L.; Bencala, Kenneth E.; Broshears, Robert E.; Chapra, Steven C.
1996-02-01
An equilibrium-based solute transport model is developed for the simulation of trace metal fate and transport in streams. The model is formed by coupling a solute transport model with a chemical equilibrium submodel based on MINTEQ. The solute transport model considers the physical processes of advection, dispersion, lateral inflow, and transient storage, while the equilibrium submodel considers the speciation and complexation of aqueous species, precipitation/dissolution and sorption. Within the model, reactions in the water column may result in the formation of solid phases (precipitates and sorbed species) that are subject to downstream transport and settling processes. Solid phases on the streambed may also interact with the water column through dissolution and sorption/desorption reactions. Consideration of both mobile (water-borne) and immobile (streambed) solid phases requires a unique set of governing differential equations and solution techniques that are developed herein. The partial differential equations describing physical transport and the algebraic equations describing chemical equilibria are coupled using the sequential iteration approach.
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.
Directory of Open Access Journals (Sweden)
Roman Cherniha
2016-06-01
Full Text Available The nonlinear mathematical model for solute and fluid transport induced by the osmotic pressure of glucose and albumin with the dependence of several parameters on the hydrostatic pressure is described. In particular, the fractional space available for macromolecules (albumin was used as a typical example and fractional fluid void volume were assumed to be different functions of hydrostatic pressure. In order to find non-uniform steady-state solutions analytically, some mathematical restrictions on the model parameters were applied. Exact formulae (involving hypergeometric functions for the density of fluid flux from blood to tissue and the fluid flux across tissues were constructed. In order to justify the applicability of the analytical results obtained, a wide range of numerical simulations were performed. It was found that the analytical formulae can describe with good approximation the fluid and solute transport (especially the rate of ultrafiltration for a wide range of values of the model parameters.
Jackman, A.P.; Walters, R.A.; Kennedy, V.C.
1984-01-01
Models describing low-flow transport of conservative (nonreactive) and reactive solutes, which adsorb on the streambed, are developed and tested. Temporary storage within the bed plays an important role in solute movement. Three different models of bed-storage processes are developed for conservative solutes. One model assumes the bed is a well-mixed, nondiffusing, nonreacting zone. Solute flux into the bed is then proportional to the difference between stream and bed-solute concentrations. A second model assumes that solute is transported within the bed by a vertical diffusion process. The bed-solute concentration, which matches the stream concentration at the interface, varies with depth in the bed according to Fick 's law. A third model assumes convection in the downstream direction occurs in certain parts of the bed, while the mechanism of the first model functions elsewhere. Storage of absorbing species is assumed to occur by equilibrium adsorption within streambed particles. Uptake rate is described by an intraparticle diffusion process. Model equations were solved using finite element numerical methods. Models were calibrated using data from a 24-hour injection of conservative chloride and adsorptive Sr ions at Uvas Creek near Morgan Hill, California. All models predict well except for some overestimation by the adsorption model during dieaway. (USGS)
Institute of Scientific and Technical Information of China (English)
薛强; 梁冰; 刘晓丽; 李宏艳
2003-01-01
The process of contaminant transport is a problem of multicomponent and multiphase flow in unsaturated zone. Under the presupposition that gas existence affects water transport , a coupled mathematical model of contaminant transport in unsaturated zone has been established based on fluid-solid interaction mechanics theory. The asymptotical solutions to the nonlinear coupling mathematical model were accomplished by the perturbation and integral transformation method. The distribution law of pore pressure,pore water velocity and contaminant concentration in unsaturated zone has been presented under the conditions of with coupling and without coupling gas phase. An example problem was used to provide a quantitative verification and validation of the model. The asymptotical solution was compared with Faust model solution. The comparison results show reasonable agreement between asymptotical solution and Faust solution, and the gas effect and media deformation has a large impact on the contaminant transport. The theoretical basis is provided for forecasting contaminant transport and the determination of the relationship among pressure-saturation-permeability in laboratory.
Three-dimensional Solute Transport Modeling in Coupled Soil and Plant Root Systems
2014-01-01
Many environmental and agricultural challenges rely on the proper understanding of water flow and solute transport in soils, for example the carbon cycle, crop growth, irrigation scheduling or fate of pollutants in subsoil. Current modeling approaches typically simulate plant uptake via empirical approaches, which neglect the three-dimensional (3D) root architecture. Yet, nowadays 3D soil-root water and solute models on plant-scale exist, which can be used for assessing the impact of root arc...
Pore-network modeling of solute transport and biofilm growth in porous media
Qin, Chao Zhong; Hassanizadeh, S. Majid
2015-01-01
In this work, a pore-network (PN) model for solute transport and biofilm growth in porous media was developed. Compared to previous studies of biofilm growth, it has two new features. First, the constructed pore network gives a better representation of a porous medium. Second, instead of using a con
Modelling Water Flow and Solute Transport for Horticultural and Environmental Management
Feddes, R.A.; Dam, van J.C.
2002-01-01
During the past 10 years, the simulation model SWAP (Soil, Water, Atmosphere, Plant) was developed by the Sub-Department Water Resources of Wageningen University jointly with the Department Water and Environment of Alterra Green World Research. SWAP simulates vertical transport of water, solutes and
Pore-network modeling of solute transport and biofilm growth in porous media
Qin, Chao Zhong; Hassanizadeh, S. Majid
2015-01-01
In this work, a pore-network (PN) model for solute transport and biofilm growth in porous media was developed. Compared to previous studies of biofilm growth, it has two new features. First, the constructed pore network gives a better representation of a porous medium. Second, instead of using a
Sund, N. L.; Bolster, D.; Benson, D. A.
2015-12-01
In order to predict transport of solutes, upscaling techniques are often applied. After the amount of time it takes the solute to sample all of the velocities in the system, the upscaling process is well understood and fairly simple to implement. But in highly heterogeneous velocity fields, this amount of time may be prohibitively long. When there is a need to predict transport at earlier times, the upscaling process is more difficult because the solute tends to stay on or near its initial streamline, inducing a correlation between its average velocity over fixed distances (or times), which must be accounted for. A Spatial Markov model was developed in 2008 that does just that[1]. It accounts for the velocity correlation by treating the transport process as a Markov Chain. This model has been successfully applied to predict solute transport in a large variety of complicated flow fields and is becoming increasing popular. It almost seems as though it works for every situation, but so far no rigorous study has gone into determining its limitations. So we have decided to take a step back and ask: when is this model valid? We understand the asymptotic behavior in the limit as t→ ∞, but what about in the limit as 1/t→ ∞ (or t→ 0)? Are the assumptions of the Spatial Markov model valid over all length (and time) scales? It turns out that the answer is no. At very early times, the transport process is diffusion dominated, leading to non-monotonic correlation between solute particles' average velocity over consecutive space and time steps. The assumptions of the Spatial Markov model only hold after this early diffusive regime ends and the correlation function peaks. We find the location of the peak in the correlation function for transport in simple stratified flows and show the effect of using the Spatial Markov model over length scales on either side of the peak.REFERENCES[1] T.L. Borgne, M. Dentz, J. Carrera: Spatial Markov processes for modeling Lagrangian
Core-scale solute transport model selection using Monte Carlo analysis
Malama, Bwalya; James, Scott C
2013-01-01
Model applicability to core-scale solute transport is evaluated using breakthrough data from column experiments conducted with conservative tracers tritium (H-3) and sodium-22, and the retarding solute uranium-232. The three models considered are single-porosity, double-porosity with single-rate mobile-immobile mass-exchange, and the multirate model, which is a deterministic model that admits the statistics of a random mobile-immobile mass-exchange rate coefficient. The experiments were conducted on intact Culebra Dolomite core samples. Previously, data were analyzed using single- and double-porosity models although the Culebra Dolomite is known to possess multiple types and scales of porosity, and to exhibit multirate mobile-immobile-domain mass transfer characteristics at field scale. The data are reanalyzed here and null-space Monte Carlo analysis is used to facilitate objective model selection. Prediction (or residual) bias is adopted as a measure of the model structural error. The analysis clearly shows ...
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.
Kim, Tae-Uk; Drewes, Jörg E; Scott Summers, R; Amy, Gary L
2007-09-01
Rejection of trace organic compounds, including disinfection by-products (DBPs) and pharmaceutical active compounds (PhACs), by high-pressure membranes has become a focus of public interest internationally in both drinking water treatment and wastewater reclamation/reuse. The ability to simulate, or even predict, the rejection of these compounds by high-pressure membranes, encompassing nanofiltration (NF) and reverse osmosis (RO), will improve process economics and expand membrane applications. The objective of this research is to develop a membrane transport model to account for diffusive and convective contributions to solute transport and rejection. After completion of cross-flow tests and diffusion cell tests with target compounds, modeling efforts were performed in accordance with a non-equilibrium thermodynamic transport equation. Comparing the percentages of convection and diffusion contributions to transport, convection is dominant for most compounds, but diffusion is important for more hydrophobic non-polar compounds. Convection is also more dominant for looser membranes (i.e., NF). In addition, higher initial compound concentrations and greater J(0)/k ratios contribute to solute fluxes more dominated by convection. Given the treatment objective of compound rejection, compound transport and rejection trends are inversely related.
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
Modeling study of solute transport in the unsaturated zone: Workshop proceedings
Energy Technology Data Exchange (ETDEWEB)
Springer, E.P.; Fuentes, H.R. (eds.)
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.
Constructing Soliton and Kink Solutions of PDE Models in Transport and Biology
Directory of Open Access Journals (Sweden)
Vsevolod A. Vladimirov
2006-06-01
Full Text Available We present a review of our recent works directed towards discovery of a periodic, kink-like and soliton-like travelling wave solutions within the models of transport phenomena and the mathematical biology. Analytical description of these wave patterns is carried out by means of our modification of the direct algebraic balance method. In the case when the analytical description fails, we propose to approximate invariant travelling wave solutions by means of an infinite series of exponential functions. The effectiveness of the method of approximation is demonstrated on a hyperbolic modification of Burgers equation.
Institute of Scientific and Technical Information of China (English)
Sheng PENG
2009-01-01
Heap leaching is essentially a process in which metals are extracted from mine ores with lixiant. For a better understanding and modeling of this process, solute transport parameters are required to characterize the solute transport system of the leach heap. For porous media like leach ores, which contain substantial gravelly particles and have a broad range of particle size distributions, traditional small-scale laboratory experimental apparatus is not appropriate. In this paper, a 2.44m long, 0.3 m inner diameter column was used for tracer test with boron as the tracer. Tracer tests were conducted for 2 bulk densities (1.92 and 1.62g/cm3) and 2 irrigation rates (2 and 5 L/(mE. h-i)). Inverse modeling with two-region transport model using computer code CXTFIT was conducted based on the measured breakthrough curves to estimate the transport parameters. Fitting was focused on three parameters: dispersion coefficient D, partition coefficient r, and mass transfer coefficient ω. The results turned out to fall within reasonable ranges. Sensitivity analysis was conducted for the three parameters and showed that the order of sensitivity is β > ω > D. In addition, scaling of these parameters was discussed and applied to a real scale heap leach to predict the tracer breakthrough.
Core-scale solute transport model selection using Monte Carlo analysis
Malama, Bwalya; Kuhlman, Kristopher L.; James, Scott C.
2013-06-01
Model applicability to core-scale solute transport is evaluated using breakthrough data from column experiments conducted with conservative tracers tritium (3H) and sodium-22 (22Na ), and the retarding solute uranium-232 (232U). The three models considered are single-porosity, double-porosity with single-rate mobile-immobile mass-exchange, and the multirate model, which is a deterministic model that admits the statistics of a random mobile-immobile mass-exchange rate coefficient. The experiments were conducted on intact Culebra Dolomite core samples. Previously, data were analyzed using single-porosity and double-porosity models although the Culebra Dolomite is known to possess multiple types and scales of porosity, and to exhibit multirate mobile-immobile-domain mass transfer characteristics at field scale. The data are reanalyzed here and null-space Monte Carlo analysis is used to facilitate objective model selection. Prediction (or residual) bias is adopted as a measure of the model structural error. The analysis clearly shows single-porosity and double-porosity models are structurally deficient, yielding late-time residual bias that grows with time. On the other hand, the multirate model yields unbiased predictions consistent with the late-time -5/2 slope diagnostic of multirate mass transfer. The analysis indicates the multirate model is better suited to describing core-scale solute breakthrough in the Culebra Dolomite than the other two models.
Modelling Simultaneous transport of Bioreative Solutes and Microorganisms in Porous Media
Institute of Scientific and Technical Information of China (English)
Y.TAN; LIZHENGAO
1998-01-01
Recent years have the development of a number of mathematical models for the descrption of the simultaneous transport of microorganisms and bioreactive solutes in porous media.Most models are based on the advection-dispersion equation,with terms added to account for interactions with the surfaces of the soild matrix ,transformations and microbial activties.Those models based on the advection-dispersion equation have all been shown to represent laboratory experimental data adequately altough various assumption have been made concerning the pore-scale distribution of bacteria.This paper provides an overview o the recent work on modelling the trasport and fate of microorganisms and bioreactive solutes in prous media and examines the different assumptions regarding the pore scale distrbution of microorganisms.
Bencala, K. E.; Kimball, B. A.; Gooseff, M. N.
2007-12-01
In-stream tracer experiments are a well-established method for determining flow data to be incorporated in solute transport modeling. For a gaining stream, this method is implemented to provide spatial flow data at scales of minutes and tens of meters without physical disturbance to the flow of water, the streambed, or biota. Of importance for solute transport modeling, solute inflow loading along the stream can be estimated with this spatial data. The tracer information can also be interpreted to characterize hyporheic exchange time-scales for a stream with hyporheic exchange flowpaths (HEFs) that are short relative to the distance over which the stream gains water. The interpretation of tracer data becomes uncertain for a stream that is not gaining water continuously over intended study reach. We demonstrate, with straight-forward mass-balances, uncertainties for solute loading which arise in the analysis of streams locally losing water while predominantly gaining water (and solutes) over a larger scale. With field data from Mineral Creek (Silverton, Colorado) we illustrate the further uncertainty distinguishing HEFs from (locally) losing segments of the stream. Comparison of bromide tracer with ambient sulfate concentrations suggests that subsurface inflows and outflows, concurrent with likely HEFs, occur in a hydrogeochemical setting of multiple, dispersed and mixed, sources of water along a 64 m sub-reach of the predominately gaining, but locally losing, stream. To compute stream-reach mass-balances (the simplest of water quality models) there is a need to quantitatively define the character and source of contaminants entering streams from ground-water pathways, as well as the potential for changes in water chemistry and contaminant concentrations along flow paths crossing the sediment-water interface. Identification of inflow solute mass requires quantifying water gain, loss, and hyporheic exchange in addition to concentration.
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.
Groundwater and solute transport modeling at Hyporheic zone of upper part Citarum River
Iskandar, Irwan; Farazi, Hendy; Fadhilah, Rahmat; Purnandi, Cipto; Notosiswoyo, Sudarto
2017-06-01
Groundwater and surface water interaction is an interesting topic to be studied related to the water resources and environmental studies. The study of interaction between groundwater and river water at the Upper Part Citarum River aims to know the contribution of groundwater to the river or reversely and also solute transport of dissolved ions between them. Analysis of drill logs, vertical electrical sounding at the selected sections, measurement of dissolved ions, and groundwater modeling were applied to determine the flow and solute transport phenomena at the hyporheic zone. It showed the hyporheic zone dominated by silt and clay with hydraulic conductivity range from 10-4∼10-8 m/s. The groundwater flowing into the river with very low gradient and it shows that the Citarum River is a gaining stream. The groundwater modeling shows direct seepage of groundwater into the Citarum River is only 186 l/s, very small compared to the total discharge of the river. Total dissolved ions of the groundwater ranged from 200 to 480 ppm while the river water range from 200 to 2,000 ppm. Based on solute transport modeling it indicates dissolved ions dispersion of the Citarum River into groundwater may occur in some areas such as Bojongsoang-Dayeuh Kolot and Nanjung. This situation would increase the dissolved ions in groundwater in the region due to the contribution of the Citarum River. The results of the research can be a reference for further studies related to the mechanism of transport of the pollutants in the groundwater around the Citarum River.
A cellular automaton model adapted to sandboxes to simulate the transport of solutes
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.
A model of fluid, erythrocyte, and solute transport in the lung.
Roselli, R J; Tack, G; Harris, T R
1997-01-01
A mathematical model of fluid, solute, and red cell transport in the lung has been developed that includes the effects of simultaneous changes in lung vascular and interstitial volumes. The model provides separate arterial, microvascular, and venous pulmonary regions and a systemic vascular region in addition to a pulmonary interstitial compartment. Pressure, volume, hematocrit, flow, and concentration of up to 12 solutes and tracers can be computed in each compartment. Computer code is written in the C programming language, with Microsoft Excel serving as a user interface. Implementation is currently on PC-486 microcomputer systems, but the core program can easily be moved to other computer systems. The user can select different models for the blood-interstitial barrier (e.g., multiple pore, nonlinear Patlak equation), osmotic pressure-concentration relationships (e.g., Nitta, Navar-Navar), solute reflection coefficients interstitial macromolecule exclusion, or lymph barrier characteristics. Each model parameter or a combination of parameters can be altered with time in a predetermined fashion. The model is particularly useful in interpreting lung experimental data where simultaneous changes occur in vascular and extravascular compartments. Several applications are presented and discussed, including interpretation of optical filtration experiments, venous occlusion experiments, external detection of macromolecular exchange, and blood-lymph studies that use exogenous tracers. A number of limitations of the model are identified and improvements are proposed. A major strength of the model is that it is specifically designed to incorporate newly discovered relationships as the field of lung physiology expands.
Energy Technology Data Exchange (ETDEWEB)
Gustafsson, Lars-Goeran; Sassner, Mona (DHI Sverige AB, Stockholm (Sweden)); Bosson, Emma (Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden))
2008-12-15
The Swedish Nuclear Fuel and Waste Management Company (SKB) is performing site investigations at two different locations in Sweden, referred to as the Forsmark and Laxemar areas, with the objective of siting a final repository for high-level radioactive waste. Data from the site investigations are used in a variety of modelling activities. This report presents model development and results of numerical transport modelling based on the numerical flow modelling of surface water and near-surface groundwater at the Forsmark site. The numerical modelling was performed using the modelling tool MIKE SHE and is based on the site data and conceptual model of the Forsmark areas. This report presents solute transport applications based on both particle tracking simulations and advection-dispersion calculations. The MIKE SHE model is the basis for the transport modelling presented in this report. Simulation cases relevant for the transport from a deep geological repository have been studied, but also the pattern of near surface recharge and discharge areas. When the main part of the modelling work presented in this report was carried out, the flow modelling of the Forsmark site was not finalised. Thus, the focus of this work is to describe the sensitivity to different transport parameters, and not to point out specific areas as discharge areas from a future repository (this is to be done later, within the framework of the safety assessment). In the last chapter, however, results based on simulations with the re-calibrated MIKE SHE flow model are presented. The results from the MIKE SHE water movement calculations were used by cycling the calculated transient flow field for a selected one-year period as many times as needed to achieve the desired simulation period. The solute source was located either in the bedrock or on top of the model. In total, 15 different transport simulation cases were studied. Five of the simulations were particle tracking simulations, whereas the rest
Directory of Open Access Journals (Sweden)
S.M. Ghoraba
2013-06-01
Full Text Available Groundwater contamination is a major problem related strongly to both; protection of environment and the need of water. In the present study groundwater quality was investigated in the central part of the Nile Delta (El-Gharbiya Governorate. El-Gharbiya Governorate is an agricultural land and its densely populated area inhabited, includes small communities which totally not served by public sewers. Hydrochemical analyses were used to assess the quality of water in samples taken from the canals, drains and groundwater. A laboratory study and mathematical modeling works were presented. Two numerical computer models by the applying of finite difference method were adopted. Both models deal with the flow as a three-dimensional and unsteady. Results obtained include determining the levels of water and the values of solute concentration and distribution of it in the region at different times. The groundwater model MODFLOW was used to deal with the hydrodynamics of the flow through porous media. A solute transport model which can be communicated with MODFLOW through data files MT3DMS, was used to solve the problem of contaminants transport and the change of their concentrations with time. A proposed groundwater remediation scheme by using group of extraction wells was suggested at Birma region where the concentration values of ammonium contaminant are the up most according to hydrochemical analyses results. Proposed scenario for cleaning is to use a set of wells to pump contaminated groundwater extraction for treatment and reused to irrigation.
Large-scale modeling of reactive solute transport in fracture zones of granitic bedrocks
Molinero, Jorge; Samper, Javier
2006-01-01
Final disposal of high-level radioactive waste in deep repositories located in fractured granite formations is being considered by several countries. The assessment of the safety of such repositories requires using numerical models of groundwater flow, solute transport and chemical processes. These models are being developed from data and knowledge gained from in situ experiments such as the Redox Zone Experiment carried out at the underground laboratory of Äspö in Sweden. This experiment aimed at evaluating the effects of the construction of the access tunnel on the hydrogeological and hydrochemical conditions of a fracture zone intersected by the tunnel. Most chemical species showed dilution trends except for bicarbonate and sulphate which unexpectedly increased with time. Molinero and Samper [Molinero, J. and Samper, J. Groundwater flow and solute transport in fracture zones: an improved model for a large-scale field experiment at Äspö (Sweden). J. Hydraul. Res., 42, Extra Issue, 157-172] presented a two-dimensional water flow and solute transport finite element model which reproduced measured drawdowns and dilution curves of conservative species. Here we extend their model by using a reactive transport which accounts for aqueous complexation, acid-base, redox processes, dissolution-precipitation of calcite, quartz, hematite and pyrite, and cation exchange between Na + and Ca 2+. The model provides field-scale estimates of cation exchange capacity of the fracture zone and redox potential of groundwater recharge. It serves also to identify the mineral phases controlling the solubility of iron. In addition, the model is useful to test the relevance of several geochemical processes. Model results rule out calcite dissolution as the process causing the increase in bicarbonate concentration and reject the following possible sources of sulphate: (1) pyrite dissolution, (2) leaching of alkaline sulphate-rich waters from a nearby rock landfill and (3) dissolution of
An Integrated Numerical Hydrodynamic Shallow Flow-Solute Transport Model for Urban Area
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.
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
A new mobile-immobile model for reactive solute transport with scale-dependent dispersion
Gao, Guangyao; Zhan, Hongbin; Feng, Shaoyuan; Fu, Bojie; Ma, Ying; Huang, Guanhua
2010-08-01
This study proposed a new mobile-immobile model (MIM) to describe reactive solute transport with scale-dependent dispersion in heterogeneous porous media. The model was derived from the conventional MIM but assumed the dispersivity to be a linear or exponential function of travel distance. The linear adsorption and the first-order degradation of solute were also considered in the model. The Laplace transform technique and the de Hoog numerical Laplace inversion method were applied to solve the developed model. Solute breakthrough curves (BTCs) obtained from MIM with scale-dependent and constant dispersions were compared, and a constant effective dispersivity was provided to reflect the lumped scale-dependent dispersion effect. The effective dispersivity was calculated by arithmetically averaging the distance-dependent dispersivity. With this effective dispersivity, MIM could produce similar BTC as that from MIM with scale-dependent dispersion in porous media with moderate heterogeneity. The applicability of the proposed new model was tested with concentration data from a 1,250-cm long and highly heterogeneous soil column. The simulation results indicated that MIM with constant and linear distance-dependent dispersivities were unable to adequately describe the measured BTCs in the column, while MIM with exponential distance-dependent dispersivity satisfactorily captured the evolution of BTCs.
Benchmarking the invariant embedding method against analytical solutions in model transport problems
Directory of Open Access Journals (Sweden)
Wahlberg Malin
2006-01-01
Full Text Available The purpose of this paper is to demonstrate the use of the invariant embedding method in a few model transport problems for which it is also possible to obtain an analytical solution. The use of the method is demonstrated in three different areas. The first is the calculation of the energy spectrum of sputtered particles from a scattering medium without absorption, where the multiplication (particle cascade is generated by recoil production. Both constant and energy dependent cross-sections with a power law dependence were treated. The second application concerns the calculation of the path length distribution of reflected particles from a medium without multiplication. This is a relatively novel application, since the embedding equations do not resolve the depth variable. The third application concerns the demonstration that solutions in an infinite medium and in a half-space are interrelated through embedding-like integral equations, by the solution of which the flux reflected from a half-space can be reconstructed from solutions in an infinite medium or vice versa. In all cases, the invariant embedding method proved to be robust, fast, and monotonically converging to the exact solutions.
Ufimtsev, Ivan S; Kalinichev, Andrey G; Martinez, Todd J; Kirkpatrick, R James
2009-11-07
We describe a new multistate empirical valence bond (MS-EVB) model of OH(-) in aqueous solutions. This model is based on the recently proposed "charged ring" parameterization for the intermolecular interaction of hydroxyl ion with water [Ufimtsev, et al., Chem. Phys. Lett., 2007, 442, 128] and is suitable for classical molecular simulations of OH(-) solvation and transport. The model reproduces the hydration structure of OH(-)(aq) in good agreement with experimental data and the results of ab initio molecular dynamics simulations. It also accurately captures the major structural, energetic, and dynamic aspects of the proton transfer processes involving OH(-) (aq). The model predicts an approximately two-fold increase of the OH(-) mobility due to proton exchange reactions.
Energy Technology Data Exchange (ETDEWEB)
Zhang, Guoxiang; Zheng, Zuoping; Wan, Jiamin
2004-01-28
Concentrated aqueous solutions (CAS) have unique thermodynamic and physical properties. Chemical components in CAS are incompletely dissociated, especially those containing divalent or polyvalent ions. The problem is further complicated by the interaction between CAS flow processes and the naturally heterogeneous sediments. As the CAS migrates through the porous media, the composition may be altered subject to fluid-rock interactions. To effectively model reactive transport of CAS, we must take into account ion-interaction. A combination of the Pitzer ion-interaction and the ion-association model would be an appropriate way to deal with multiple-component systems if the Pitzer' parameters and thermodynamic data of dissolved components and the related minerals are available. To quantify the complicated coupling of CAS flow and transport, as well as the involved chemical reactions in natural and engineered systems, we have substantially extended an existing reactive biogeochemical transport code, BIO-CORE{sup 2D}{copyright}, by incorporating a comprehensive Pitzer ion-interaction model. In the present paper, the model, and two test cases against measured data were briefly introduced. Finally we present an application to simulate a laboratory column experiment studying the leakage of the high alkaline waste fluid stored in Hanford (a site of the U.S. Department of Energy, located in Washington State, USA). With the Pitzer ion-interaction ionic activity model, our simulation captures measured pH evolution. The simulation indicates that all the reactions controlling the pH evolution, including cation exchanges, mineral precipitation and dissolution, are coupled.
Evaluation of unsaturated-zone solute-transport models for studies of agricultural chemicals
Nolan, Bernard T.; Bayless, E. Randall; Green, Christopher T.; Garg, Sheena; Voss, Frank D.; Lampe, David C.; Barbash, Jack E.; Capel, Paul D.; Bekins, Barbara A.
2005-01-01
Seven unsaturated-zone solute-transport models were tested with two data sets to select models for use by the Agricultural Chemical Team of the U.S. Geological Survey's National Water-Quality Assessment Program. The data sets were from a bromide tracer test near Merced, California, and an atrazine study in the White River Basin, Indiana. In this study the models are designated either as complex or simple based on the water flux algorithm. The complex models, HYDRUS2D, LEACHP, RZWQM, and VS2DT, use Richards' equation to simulate water flux and are well suited to process understanding. The simple models, CALF, GLEAMS, and PRZM, use a tipping-bucket algorithm and are more amenable to extrapolation because they require fewer input parameters. The purpose of this report is not to endorse a particular model, but to describe useful features, potential capabilities, and possible limitations that emerged from working with the model input data sets. More rigorous assessment of model applicability involves proper calibration, which was beyond the scope of this study.
Integrating Water Flow, Solute Transport and Crop Production Models At The Farm-scale
Assinck, F. B. T.; de Vos, J. A.
Minimising nitrate pollution of ground and surface water and optimising agricultural yields are problems which have to be addressed at the farm-scale. However, simulation models usually operate at the field-scale. We coupled the subsurface hydrology model SWAP with other existing deterministic (sub)models for solute transport, organic mat- ter dynamics, crop growth, and dairy farm management at the farm-scale, resulting in the model WATERPAS. The (sub)models are coupled in a Framework environment obeying the principles of object oriented modelling. Based on daily weather data, groundwater regimes, soil and farm characteristics WATERPAS is able to simulate the water and nutrient balances, grass production, economical benefits, nitrate leaching and greenhouse gas emissions at a farm. Problems of coupling, such as data-transfer, quality checks, over-parameterisation, complexity and sensitivity of the systems are discussed. Application of deducted simpler models and expert judgement can be use- ful for practical use. However, we believe that integrated models are a powerful tool to understand the complex relationships between the different processes. It also gives opportunities to perform scenario analysis for future boundary conditions, i.e. due to changing farm management, (sea) water levels and climate change.
Directory of Open Access Journals (Sweden)
Shutang Zhu
2008-01-01
Full Text Available The coupling of groundwater movement and reactive transport during groundwater recharge with wastewater leads to a complicated mathematical model, involving terms to describe convection-dispersion, adsorption/desorption and/or biodegradation, and so forth. It has been found very difficult to solve such a coupled model either analytically or numerically. The present study adopts operator-splitting techniques to decompose the coupled model into two submodels with different intrinsic characteristics. By applying an upwind finite difference scheme to the finite volume integral of the convection flux term, an implicit solution procedure is derived to solve the convection-dominant equation. The dispersion term is discretized in a standard central-difference scheme while the dispersion-dominant equation is solved using either the preconditioned Jacobi conjugate gradient (PJCG method or Thomas method based on local-one-dimensional scheme. The solution method proposed in this study is applied to the demonstration project of groundwater recharge with secondary effluent at Gaobeidian sewage treatment plant (STP successfully.
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
Directory of Open Access Journals (Sweden)
J. Y. Tang
2014-01-01
Full Text Available Representation of gaseous diffusion in variably saturated near-surface soils is becoming more common in land biogeochemical models, yet the formulations and numerical solution algorithms applied vary widely. We present three different but equivalent formulations of the dual-phase (gaseous and aqueous tracer diffusion transport problem that is relevant to a wide class of volatile tracers in land biogeochemical models. Of these three formulations (i.e., the gas-primary, aqueous-primary, and bulk tracer based formulations, we contend the gas-primary formulation is the most convenient for modeling tracer dynamics in biogeochemical models. We then provide finite volume approximation to the gas-primary equation and evaluate its accuracy against three analytical models: one for steady-state soil CO2 dynamics, one for steady-state soil CO2 dynamics, and one for transient tracer diffusion from a constant point source into two different sequentially aligned medias. All evaluations demonstrated good accuracy of the numerical approximation. We expect our result will standardize an efficient mechanistic numerical method for solving relatively simple, multi-phase, one-dimensional diffusion problems in land models.
Gatsonis, Nikos A.; Alexandrou, Andreas; Shi, Hui; Ongewe, Bernard; Sacco, Albert, Jr.
1999-01-01
. At the same time, however, there is increased urgency to develop such an understanding in order to more accurately quantify the process. In order to better understand the results obtained from our prior space experiments, and design future experiments, a detailed fluid dynamic model simulating the crystal growth mechanism is required. This will not only add to the fundamental knowledge on the crystallization of zeolites, but also be useful in predicting the limits of size and growth of these important industrial materials. Our objective is to develop macro/microscopic theoretical and computational models to study the effect of transport phenomena in the growth of crystals grown in solutions. Our effort has concentrated so far in the development of separate macroscopic and microscopic models. The major highlights of our accomplishments are described.
Lee, Jonghyun; Rolle, Massimo; Kitanidis, Peter K
2017-09-15
Most recent research on hydrodynamic dispersion in porous media has focused on whole-domain dispersion while other research is largely on laboratory-scale dispersion. This work focuses on the contribution of a single block in a numerical model to dispersion. Variability of fluid velocity and concentration within a block is not resolved and the combined spreading effect is approximated using resolved quantities and macroscopic parameters. This applies whether the formation is modeled as homogeneous or discretized into homogeneous blocks but the emphasis here being on the latter. The process of dispersion is typically described through the Fickian model, i.e., the dispersive flux is proportional to the gradient of the resolved concentration, commonly with the Scheidegger parameterization, which is a particular way to compute the dispersion coefficients utilizing dispersivity coefficients. Although such parameterization is by far the most commonly used in solute transport applications, its validity has been questioned. Here, our goal is to investigate the effects of heterogeneity and mass transfer limitations on block-scale longitudinal dispersion and to evaluate under which conditions the Scheidegger parameterization is valid. We compute the relaxation time or memory of the system; changes in time with periods larger than the relaxation time are gradually leading to a condition of local equilibrium under which dispersion is Fickian. The method we use requires the solution of a steady-state advection-dispersion equation, and thus is computationally efficient, and applicable to any heterogeneous hydraulic conductivity K field without requiring statistical or structural assumptions. The method was validated by comparing with other approaches such as the moment analysis and the first order perturbation method. We investigate the impact of heterogeneity, both in degree and structure, on the longitudinal dispersion coefficient and then discuss the role of local dispersion
Energy Technology Data Exchange (ETDEWEB)
Samper, J.; Ajora, C. (Instituto de Ciencias de la Tierra, CSIC, Barcerlona (Spain))
1993-01-01
During subsurface transport, reactive solutes are subject to a variety of hydrodynamic and chemical processes. The major hydrodynamic processes include advection and convection, dispersion and diffusion. The key chemical processes are complexation including hydrolysis and acid-base reactions, dissolution-precipitation, reduction-oxidation, adsorption and ion exchange. The combined effects of all these processes on solute transport must satisfy the principle of conservation of mass. The statement of conservation of mass for N mobile species leads to N partial differential equations. Traditional solute transport models often incorporate the effects of hydrodynamic processes rigorously but oversimplify chemical interactions among aqueous species. Sophisticated chemical equilibrium models, on the other hand, incorporate a variety of chemical processes but generally assume no-flow systems. In the past decade, coupled models accounting for complex hydrological and chemical processes, with varying degrees of sophistication, have been developed. The existing models of reactive transport employ two basic sets of equations. The transport of solutes is described by a set of partial differential equations, and the chemical processes, under the assumption of equilibrium, are described by a set of nonlinear algebraic equations. An important consideration in any approach is the choice of primary dependent variables. Most existing models cannot account for the complete set of chemical processes, cannot be easily extended to include mixed chemical equilibria and kinetics, and cannot handle practical two and three dimensional problems. The difficulties arise mainly from improper selection of the primary variables in the transport equations. (Author) 38 refs.
Chen, Jui-Sheng; Hsu, Shao-Yiu; Li, Ming-Hsu; Liu, Chen-Wuing
2016-12-01
Transport behavior through a permeable reactive barrier (PRB)-aquifer system is complicated because of the different physical and chemical properties of the PRB and the aquifer. Dual-domain solute transport models are efficient tools for better understanding the various processes and mechanisms of reactive solute transport through a PRB-aquifer system. This study develops a dual-domain analytical model to assess the physical and chemical processes of two-dimensional reactive solute transport through a PRB-aquifer system. The dispersion processes of a dual-domain system on the solute transport are investigated. The results show that the dispersion parameters in a dual-domain system synchronously govern the dynamic shape of the contaminant plume. The low longitudinal and transverse dispersion coefficients of a dual-domain system may restrict the spreading of the plume and elevate the plume's concentration level. The derived analytical solution is applied to explore how the different reactive transport processes affect the performance of a PRB-aquifer system. The results show that the first-order decay rate constant of the PRB has a critical effect on the performance of the PRB-aquifer system, whereas the effects of the physical dispersion properties on PRB performance are less significant.
Modeling vertical and horizontal solute transport for the Weldon Spring Site Remedial Action Project
Energy Technology Data Exchange (ETDEWEB)
Tomasko, D.
1992-11-01
This technical memorandum presents a one-dimensional model to simulate the transport of a contaminant that originates as a liquid release, moves vertically downward through a vadose zone, mixes with initially clean groundwater in an unconfined aquifer, and ends at a downgradient extraction well. Vertical and horizontal segments of the contaminant pathway are coupled by assuming that the breakthrough curve of the contaminant at the water table acts as a contaminant source for the unconfined aquifer. For simplicity, this source is assumed to be a time-shifted unit square wave having an amplitude equal to the peak breakthrough concentration at the water table and a duration equal to the full width of the breakthrough curve at the half-maximum concentration value. The effects of dilution at the water-table interface are evaluated with a simple mass-balance equation. Comparing the model results for the chemical plant area of the Weldon Spring site near St. Louis, Missouri, and the Envirocare facility located near Salt Lake City, Utah, with those obtained from a solution formulated with the real and imaginary parts of a Fourier series in Laplace space indicates that the model provides a conservative estimate of the contaminant breakthrough curve at the receptor.
Zhao, Gang; Takamatsu, Hiroshi; He, Xiaoming
2014-04-14
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.
Concepts and dimensionality in modeling unsaturated water flow and solute transport
Dam, van J.C.; Rooij, de G.H.; Heinen, M.; Stagnitti, F.
2004-01-01
Many environmental studies require accurate simulation of waterand solute fluxes in the unsaturated zone. This paper evaluatesone- and multi-dimensional approaches for soil water flow as wellas different spreading mechanisms to model solute behavior atdifferent scales. For quantification of soil wat
Energy Technology Data Exchange (ETDEWEB)
CHEN,KEN S.; EVANS,GREGORY H.; LARSON,RICHARD S.; NOBLE,DAVID R.; HOUF,WILLIAM G.
2000-01-01
A phenomenological model was developed for multicomponent transport of charged species with simultaneous electrochemical reactions in concentrated solutions, and was applied to model processes in a thermal battery cell. A new general framework was formulated and implemented in GOMA (a multidimensional, multiphysics, finite-element computer code developed and being enhanced at Sandia) for modeling multidimensional, multicomponent transport of neutral and charged species in concentrated solutions. The new framework utilizes the Stefan-Maxwell equations that describe multicomponent diffusion of interacting species using composition-insensitive binary diffusion coefficients. The new GOMA capability for modeling multicomponent transport of neutral species was verified and validated using the model problem of ternary gaseous diffusion in a Stefan tube. The new GOMA-based thermal battery computer model was verified using an idealized battery cell in which concentration gradients are absent; the full model was verified by comparing with that of Bernardi and Newman (1987) and validated using limited thermal battery discharge-performance data from the open literature (Dunning 1981) and from Sandia (Guidotti 1996). Moreover, a new Liquid Chemkin Software Package was developed, which allows the user to handle manly aspects of liquid-phase kinetics, thermodynamics, and transport (particularly in terms of computing properties). Lastly, a Lattice-Boltzmann-based capability was developed for modeling pore- or micro-scale phenomena involving convection, diffusion, and simplified chemistry; this capability was demonstrated by modeling phenomena in the cathode region of a thermal battery cell.
Peritoneal transport with icodextrin solution.
Heimbürger, Olof
2006-01-01
Icodextrin is the only large molecular weight osmotic agent available in peritoneal dialysis solutions. Icodextrin (compared to glucose) has a prolonged positive ultrafiltration because of the slow absortion of icodextrin due to its large molecular weight. As icodextrin induces transcapillary ultrafiltration by a mechanism resembling 'colloid' osmosis (with the ultrafiltration occurring mainly through the small pores) almost no sieving of solutes is observed with icodextrin-based solution resulting in increased convective transport and clearance of small solutes. In general, the transport characteristics of the peritoneal membrane are similar with glucose- and icodextrin-based solution, but results from the EAPOS study suggests that use of icodextrin-based solution may be associated with less changes in peritoneal transport with time.
Heberton, C.I.; Russell, T.F.; Konikow, L.F.; Hornberger, G.Z.
2000-01-01
This report documents the U.S. Geological Survey Eulerian-Lagrangian Localized Adjoint Method (ELLAM) algorithm that solves an integral form of the solute-transport equation, incorporating an implicit-in-time difference approximation for the dispersive and sink terms. Like the algorithm in the original version of the U.S. Geological Survey MOC3D transport model, ELLAM uses a method of characteristics approach to solve the transport equation on the basis of the velocity field. The ELLAM algorithm, however, is based on an integral formulation of conservation of mass and uses appropriate numerical techniques to obtain global conservation of mass. The implicit procedure eliminates several stability criteria required for an explicit formulation. Consequently, ELLAM allows large transport time increments to be used. ELLAM can produce qualitatively good results using a small number of transport time steps. A description of the ELLAM numerical method, the data-input requirements and output options, and the results of simulator testing and evaluation are presented. The ELLAM algorithm was evaluated for the same set of problems used to test and evaluate Version 1 and Version 2 of MOC3D. These test results indicate that ELLAM offers a viable alternative to the explicit and implicit solvers in MOC3D. Its use is desirable when mass balance is imperative or a fast, qualitative model result is needed. Although accurate solutions can be generated using ELLAM, its efficiency relative to the two previously documented solution algorithms is problem dependent.
TRANSOL, a dynamic simulation model for transport and transformation of solutes in soils
Kroes, J.G.; Rijtema, P.E.
1996-01-01
The dynamic simulation model TRANSOL has been developed to fulfil the need for a tool to analyse leaching of solutes from the soil surface to groundwater and surface waters. A description is given of the modelled processes: conversion, formation, cropuptake, precipitation, equilibrium and non-equili
Modeling impacts of subscale heterogeneities on dispersive solute transport in subsurface systems.
Vishal, Vikrant; Leung, Juliana Y
2015-11-01
Previous works in the literature demonstrated that dispersion increases with heterogeneities and travel distance in heterogeneous reservoirs. However, it remains challenging to quantify the effects of subscale heterogeneities on dispersion. Scale-up of input dispersivity and other reservoir attributes to the transport modeling scale should account for subscale heterogeneity and its variability. A method is proposed to quantify the uncertainties in reservoir attributes and dispersivity introduced by scale-up. A random walk particle tracking (RWPT) method, which is not prone to numerical dispersion, is used for transport modeling. First, to scale-up rock properties including porosity and permeability, volume variance at the transport modeling scale is computed corresponding to a given spatial correlation model; numerous sets of "conditioning data" are sampled from probability distributions whose mean is the block average of the actual measure values and the variance is the variance of block mean. Stochastic simulations are subsequently performed to generate multiple realizations at the transport modeling scale. Next, multiple sub-grid geostatistical realizations depicting detailed fine-scale heterogeneities and of the same physical sizes as the transport modeling grid block are subjected to RWPT simulation. Effective longitudinal and transverse (horizontal) dispersivities in two-dimensional models are determined simultaneously by matching the corresponding breakthrough concentration history for each realization with an equivalent medium consisting of averaged homogeneous rock properties. Aggregating results derived with all realizations, we generate probability distributions of scaled-up dispersivities conditional to particular averaged rock properties, from which values representative of the transport modeling scale are randomly drawn. The method is applied to model a tracer injection process. Results obtained from coarse-scale models, where reservoir properties and
Lees, Matthew J.; Camacho, Luis A.; Chapra, Steven
2000-01-01
The relationship between the distributed transient storage (TS) and lumped aggregate dead zone (ADZ) models of longitudinal solute transport in rivers and streams is examined by a parallel application to tracer data and through an investigation of parameter relationships. Both models accurately describe observed solute transport in a stream where the effects of storage or dead zones significantly affect longitudinal dispersion. A moment matching technique, based on theoretical temporal moments, is used to develop parameter relationships. Tests using the previously calibrated parameters, in addition to simulation experiments, show that the moment matching procedure allows ADZ model parameters to be reliably derived from TS model parameters and vice versa. An investigation of these parameter relationships reveals an important difference between the effective solute transport velocity and the average reach flow velocity in streams subject to transient storage or dead zone processes. A number of practical uses for the derived relationships are suggested, including the ability to utilize powerful methods of system identification in the estimation of TS model parameters.
Harvey, J. W.; Newlin, J. T.
2004-05-01
Natural streams and wetlands exchange water and solutes between the main flow zone and a complex assemblage of "transient storage" zones that include stagnant water in pools, areas of flow recirculation, and subsurface flow paths through bed sediments and deeper alluvial sediments. Exchange between faster moving waters of the main flow zone and the slowly moving waters in storage zones results in delayed downstream transport of solutes, relative to what would be predicted from velocity measurements in the main flow zone. The transient storage concept is useful particularly for understanding the fate and transport of contaminants in streams, such as nutrients and metals, because solutes transported into storage zones come in close contact with reactive substrates such as sediment, periphyton, and macrophyte leaves. Delayed transport and characterization of transient storage zones can be quantified with solute tracer injections and modeling. Many of the widely used stream transport models that consider transient storage, such as the OTIS-P model (Runkel, USGS WRIR 98-4018, 1998), use only a single storage zone (i.e., linear reservoir with exponential residence time distribution) to account for transient storage. Choi et al. (WRR, 36:1511, 2000) showed that a model with two independent storage zones improved the characterization of transient storage in systems having both `slow' and `fast' exchange zones while retaining an appropriate level of model simplicity. We modified the OTIS-P model to include the option of simulating transport by allowing for exchange with two independent storage zones. The new model package, called OTIS-2Stor, also incorporates new options for weighting tracer concentration measurements while estimating the parameters of the model using the same non-linear least squares regression routine that is included in OTIS-P. Our experiences in headwater channels of Indiana and in the Florida Everglades demonstrate that, if used in conjunction with
Directory of Open Access Journals (Sweden)
H.-J. Vogel
2006-01-01
Full Text Available A classical transport experiment was performed in a field plot of 2.5 m2 using the dye tracer brilliant blue. The measured tracer distribution demonstrates the dominant role of the heterogeneous soil structure for solute transport. As with many other published experiments, this evidences the need of considering the macroscopic structure of soil to predict flow and transport. We combine three different approaches to represent the relevant structure of the specific situation of our experiment: i direct measurement, ii statistical description of heterogeneities and iii a conceptual model of structure formation. The structure of soil layers was directly obtained from serial sections in the field. The sub-scale heterogeneity within the soil horizons was modelled through correlated random fields with estimated correlation lengths and anisotropy. Earthworm burrows played a dominant role at the transition between the upper soil horizon and the subsoil. A model based on percolation theory is introduced that mimics the geometry of earthworm burrow systems. The hydraulic material properties of the different structural units were obtained by direct measurements where available and by a best estimate otherwise. From the hydraulic structure, the 3-dimensional velocity field of water was calculated by solving Richards' Equation and solute transport was simulated. The simulated tracer distribution compares reasonably well with the experimental data. We conclude that a rough representation of the structure and a rough representation of the hydraulic properties might be sufficient to predict flow and transport, but both elements are definitely required.
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.
Directory of Open Access Journals (Sweden)
Gongsheng Li
2011-01-01
Full Text Available A real undisturbed soil-column infiltrating experiment in Zibo, Shandong, China, is investigated, and a nonlinear transport model for a solute ion penetrating through the column is put forward by using nonlinear Freundlich's adsorption isotherm. Since Freundlich's exponent and adsorption coefficient and source/sink terms in the model cannot be measured directly, an inverse problem of determining these parameters is encountered based on additional breakthrough data. Furthermore, an optimal perturbation regularization algorithm is introduced to determine the unknown parameters simultaneously. Numerical simulations are carried out and then the inversion algorithm is applied to solve the real inverse problem and reconstruct the measured data successfully. The computational results show that the nonlinear advection-dispersion equation discussed in this paper can be utilized by hydrogeologists to research solute transport behaviors with nonlinear adsorption in porous medium.
DEFF Research Database (Denmark)
Andersen, Theis Raaschou; Poulsen, Søren Erbs; Thomsen, Peter
2015-01-01
. Remediation is time consuming and expensive and it is often difficult to identify the original source of the contamination that would otherwise give indications to its extent and composition. Moreover, as cities grew, many contaminations are now located in urban areas where data compilation and remediation...... efforts are often challenged by logistics. The general lack of knowledge about theses contaminations introduces significant uncertainties in the projections on the fate of the contaminant. We carry out a geological characterization of two contaminated sites situated in urban areas. The existing data from...... of the two sites were constructed. The 3D geological models serve as a basis for simulating groundwater flow and contaminant transport at the field sites. The study demonstrates how detailed information about the geological setting in conjunction with contaminant transport modelling, can minimize...
Minimum requirements for predictive pore-network modeling of solute transport in micromodels
Mehmani, Yashar; Tchelepi, Hamdi A.
2017-10-01
Pore-scale models are now an integral part of analyzing fluid dynamics in porous materials (e.g., rocks, soils, fuel cells). Pore network models (PNM) are particularly attractive due to their computational efficiency. However, quantitative predictions with PNM have not always been successful. We focus on single-phase transport of a passive tracer under advection-dominated regimes and compare PNM with high-fidelity direct numerical simulations (DNS) for a range of micromodel heterogeneities. We identify the minimum requirements for predictive PNM of transport. They are: (a) flow-based network extraction, i.e., discretizing the pore space based on the underlying velocity field, (b) a Lagrangian (particle tracking) simulation framework, and (c) accurate transfer of particles from one pore throat to the next. We develop novel network extraction and particle tracking PNM methods that meet these requirements. Moreover, we show that certain established PNM practices in the literature can result in first-order errors in modeling advection-dominated transport. They include: all Eulerian PNMs, networks extracted based on geometric metrics only, and flux-based nodal transfer probabilities. Preliminary results for a 3D sphere pack are also presented. The simulation inputs for this work are made public to serve as a benchmark for the research community.
Stanko, Z.; Boyce, S. E.; Yeh, W. W. G.
2015-12-01
Model reduction techniques using proper orthogonal decomposition (POD) have been very effective in applications to confined groundwater flow models. These techniques consist of performing a projection of the solution of the full model onto a reduced basis. POD combined with the snapshot approach has been successfully applied to highly discretized linear models. In many cases, the reduced model is orders of magnitude smaller than the full model and runs 1,000 times faster. For nonlinear models, such as the unconfined groundwater flow, direct application of POD requires additional calls to the full model to generate additional snapshots. This is time consuming and increases the dimension of the reduced model. The discrete empirical interpolation method (DEIM) is a technique that avoids the additional full model calls and captures the dynamics of the nonlinear term while reducing the dimensions. Here, POD and DEIM are combined to reduce both the nonlinear unconfined groundwater flow and solute transport equations. To prove the concept, simple one-dimensional models are created for MODFLOW and MT3DMS separately. The dual approach is then tested on a density-dependent flow and transport simulation using the LMT package developed for MODFLOW. For each iteration of the nonlinear flow solver and the transport solver, the respective reduced models are solved instead. Numerical experiments show that significant reduction is obtainable before errors become too large. This method is well suited for a coastal aquifer seawater intrusion scenario, where nonlinearities only exist in small subregions of the model domain. A fine discretization can be utilized and POD will effectively eliminate unnecessary parameterization by projecting the full model system matrix onto a subspace with fewer column dimensions. DEIM can then reduce the row dimension of the original system by using only those state variable nodes with the most influence. This combined approach allows for full
Guan, C; Xie, H J; Wang, Y Z; Chen, Y M; Jiang, Y S; Tang, X W
2014-01-01
An analytical model for solute advection and dispersion in a two-layered liner consisting of a geosynthetic clay liner (GCL) and a soil liner (SL) considering the effect of biodegradation was proposed. The analytical solution was derived by Laplace transformation and was validated over a range of parameters using the finite-layer method based software Pollute v7.0. Results show that if the half-life of the solute in GCL is larger than 1 year, the degradation in GCL can be neglected for solute transport in GCL/SL. When the half-life of GCL is less than 1 year, neglecting the effect of degradation in GCL on solute migration will result in a large difference of relative base concentration of GCL/SL (e.g., 32% for the case with half-life of 0.01 year). The 100-year solute base concentration can be reduced by a factor of 2.2 when the hydraulic conductivity of the SL was reduced by an order of magnitude. The 100-year base concentration was reduced by a factor of 155 when the half life of the contaminant in the SL was reduced by an order of magnitude. The effect of degradation is more important in approving the groundwater protection level than the hydraulic conductivity. The analytical solution can be used for experimental data fitting, verification of complicated numerical models and preliminary design of landfill liner systems.
de Vries, Enno T.; Raoof, Amir; van Genuchten, Martinus Th.
2017-07-01
Many environmental and agricultural applications involve the transport of water and dissolved constituents through aggregated soil profiles, or porous media that are structured, fractured or macroporous in other ways. During the past several decades, various process-based macroscopic models have been used to simulate contaminant transport in such media. Many of these models consider advective-dispersive transport through relatively large inter-aggregate pore domains, while exchange with the smaller intra-aggregate pores is assumed to be controlled by diffusion. Exchange of solute between the two domains is often represented using a first-order mass transfer coefficient, which is commonly obtained by fitting to observed data. This study aims to understand and quantify the solute exchange term by applying a dual-porosity pore-scale network model to relatively large domains, and analysing the pore-scale results in terms of the classical dual-porosity (mobile-immobile) transport formulation. We examined the effects of key parameters (notably aggregate porosity and aggregate permeability) on the main dual-porosity model parameters, i.e., the mobile water fraction (ϕm) and the mass transfer coefficient (α). Results were obtained for a wide range of aggregate porosities (between 0.082 and 0.700). The effect of aggregate permeability was explored by varying pore throat sizes within the aggregates. Solute breakthrough curves (BTCs) obtained with the pore-scale network model at several locations along the domain were analysed using analytical solutions of the dual-porosity model to obtain estimates of ϕm and α. An increase in aggregate porosity was found to decrease ϕm and increase α, leading to considerable tailing in the BTCs. Changes in the aggregate pore throat size affected the relative flow velocity between the intra- and inter-aggregate domains. Higher flow velocities within the aggregates caused a change in the transport regime from diffusion dominated to more
BILEVEL PROGRAMMING MODEL AND SOLUTION METHOD FOR MIXED TRANSPORTATION NETWORK DESIGN PROBLEM
Institute of Scientific and Technical Information of China (English)
Haozhi ZHANG; Ziyou GAO
2009-01-01
By handling the travel cost function artfully, the authors formulate the transportation mixed network design problem (MNDP) as a mixed-integer, nonlinear bilevel programming problem, in which the lower-level problem, comparing with that of conventional bilevel DNDP models, is not a side constrained user equilibrium assignment problem, but a standard user equilibrium assignment problem. Then, the bilevel programming model for MNDP is reformulated as a continuous version of bilevel programming problem by the continuation method. By virtue of the optimal-value function, the lower-level assignment problem can be expressed as a nonlinear equality constraint. Therefore, the bilevel programming model for MNDP can be transformed into an equivalent single-level optimization problem. By exploring the inherent nature of the MNDP, the optimal-value function for the lower-level equilibrium assignment problem is proved to be continuously differentiable and its functional value and gradient can be obtained efficiently. Thus, a continuously differentiable but still nonconvex optimization formulation of the MNDP is created, and then a locally convergent algorithm is proposed by applying penalty function method. The inner loop of solving the subproblem is mainly to implement an all-or-nothing assignment. Finally, a small-scale transportation network and a large-scale network are presented to verify the proposed model and algorithm.
Institute of Scientific and Technical Information of China (English)
R.E. Waltz
2007-01-01
@@ There has been remarkable progress during the past decade in understanding and modeling turbulent transport in tokamaks. With some exceptions the progress is derived from the huge increases in computational power and the ability to simulate tokamak turbulence with ever more fundamental and physically realistic dynamical equations, e.g.
Krabbenhoft, David P.; Anderson, Mary P.; Bowser, Carl J.
1990-01-01
A three-dimensional groundwater flow and solute transport model was calibrated to a plume of water described by measurements of δ18O and used to calculate groundwater inflow and outflow rates at a lake in northern Wisconsin. The flow model was calibrated to observed hydraulic gradients and estimated recharge rates. Calibration of the solute transport submodel to the configuration of a stable isotope (18O) plume in the contiguous aquifer on the downgradient side of the lake provides additional data to constrain the model. A good match between observed and simulated temporal variations in plume configuration indicates that the model closely simulated the dynamics of the real system. The model provides information on natural variations of rates of groundwater inflow, lake water outflow, and recharge to the water table. Inflow and outflow estimates compare favorably with estimates derived by the isotope mass balance method (Krabbenhoft et al., this issue). Model simulations agree with field observations that show groundwater inflow rates are more sensitive to seasonal variations in recharge than outflow.
Exact solution of a Lévy walk model for anomalous heat transport
Dhar, Abhishek; Saito, Keiji; Derrida, Bernard
2013-01-01
The Lévy walk model is studied in the context of the anomalous heat conduction of one-dimensional systems. In this model, the heat carriers execute Lévy walks instead of normal diffusion as expected in systems where Fourier's law holds. Here we calculate exactly the average heat current, the large deviation function of its fluctuations, and the temperature profile of the Lévy walk model maintained in a steady state by contact with two heat baths (the open geometry). We find that the current is nonlocally connected to the temperature gradient. As observed in recent simulations of mechanical models, all the cumulants of the current fluctuations have the same system-size dependence in the open geometry. For the ring geometry, we argue that a size-dependent cutoff time is necessary for the Lévy walk model to behave like mechanical models. This modification does not affect the results on transport in the open geometry for large enough system sizes.
Kurylyk, Barret L.; McKenzie, Jeffrey M; MacQuarrie, Kerry T. B.; Voss, Clifford I.
2014-01-01
Numerous cold regions water flow and energy transport models have emerged in recent years. Dissimilarities often exist in their mathematical formulations and/or numerical solution techniques, but few analytical solutions exist for benchmarking flow and energy transport models that include pore water phase change. This paper presents a detailed derivation of the Lunardini solution, an approximate analytical solution for predicting soil thawing subject to conduction, advection, and phase change. Fifteen thawing scenarios are examined by considering differences in porosity, surface temperature, Darcy velocity, and initial temperature. The accuracy of the Lunardini solution is shown to be proportional to the Stefan number. The analytical solution results obtained for soil thawing scenarios with water flow and advection are compared to those obtained from the finite element model SUTRA. Three problems, two involving the Lunardini solution and one involving the classic Neumann solution, are recommended as standard benchmarks for future model development and testing.
Energy Technology Data Exchange (ETDEWEB)
Tran Ngoc, T.D
2008-07-15
This Ph.D thesis presents the development of the solute transport models in unsaturated double-porosity medium, by using the asymptotic homogenization method. The obtained macroscopic models concern diffusion, diffusion-convection and dispersion-convection, according to the transport regime which is characterized by the non-dimensional numbers. The models consist of two coupled equations that show the local non-equilibrium of concentrations. The double-porosity transport models were numerically implemented using the code COMSOL Multiphysics (finite elements method), and compared with the solution of the same problem at the fine scale. The implementation allows solving the coupled equations in the macro- and micro-porosity domains (two-scale computations). The calculations of the dispersion tensor as a solution of the local boundary value problems, were also conducted. It was shown that the dispersivity depends on the saturation, the physical properties of the macro-porosity domain and the internal structure of the double-porosity medium. Finally, two series of experiments were performed on a physical model of double-porosity that is composed of a periodic assemblage of sintered clay spheres in Hostun sand HN38. The first experiment was a drainage experiment, which was conducted in order to validate the unsaturated flow model. The second series was a dispersion experiment in permanent unsaturated water flow condition (water content measured by gamma ray attenuation technique). A good agreement between the numerical simulations and the experimental observations allows the validation of the developed models. (author)
Haslauer, C. P.; Bárdossy, A.; Sudicky, E. A.
2017-09-01
This paper demonstrates quantitative reasoning to separate the dataset of spatially distributed variables into different entities and subsequently characterize their geostatistical properties, properly. The main contribution of the paper is a statistical based algorithm that matches the manual distinction results. This algorithm is based on measured data and is generally applicable. In this paper, it is successfully applied at two datasets of saturated hydraulic conductivity (K) measured at the Borden (Canada) and the Lauswiesen (Germany) aquifers. The boundary layer was successfully delineated at Borden despite its only mild heterogeneity and only small statistical differences between the divided units. The methods are verified with the more heterogeneous Lauswiesen aquifer K data-set, where a boundary layer has previously been delineated. The effects of the macro- and the microstructure on solute transport behaviour are evaluated using numerical solute tracer experiments. Within the microscale structure, both Gaussian and non-Gaussian models of spatial dependence of K are evaluated. The effects of heterogeneity both on the macro- and the microscale are analysed using numerical tracer experiments based on four scenarios: including or not including the macroscale structures and optimally fitting a Gaussian or a non-Gaussian model for the spatial dependence in the micro-structure. The paper shows that both micro- and macro-scale structures are important, as in each of the four possible geostatistical scenarios solute transport behaviour differs meaningfully.
Directory of Open Access Journals (Sweden)
Stanko Ružičić
2012-12-01
Full Text Available Conceptual model of flow and solute transport in unsaturated zone at Kosnica site, which is the basis for modeling pollution migration through the unsaturated zone to groundwater, is set up. The main characteristics of the unsaturated zone of the Kosnica site are described. Detailed description of investigated profile of unsaturated zone, with all necessary analytical results performed and used in building of conceptual models, is presented. Experiments that are in progress and processes which are modeled are stated. Monitoring of parameters necessary for calibration of models is presented. The ultimate goal of research is risk assessment of groundwater contamination at Kosnica site that has its source in or on unsaturated zone.
Skouras, Eugene D.; Jaho, Sofia; Pavlakou, Efstathia I.; Sygouni, Varvara; Petsi, Anastasia; Paraskeva, Christakis A.
2015-04-01
The deposition of salts in porous media is a major engineering phenomenon encountered in a plethora of industrial and environmental applications where in some cases is desirable and in other not (oil production, geothermal systems, soil stabilization etc). Systematic approach of these problems requires knowledge of the key mechanisms of precipitating salts within the porous structures, in order to develop new methods to control the process. In this work, the development and the solution of spatiotemporally variable mass balances during salt solution mixing along specific pores were performed. Both analytical models and finite differences CFD models were applied for the study of flow and transport with simultaneous homogeneous and heterogeneous nucleation (by crystal growth on the surface of the pores) in simple geometries, while unstructured finite elements and meshless methods were developed and implemented for spatial discretization, reconstruction, and solution of transport equations and homogeneous / heterogeneous reactions in more complex geometries. At initial stages of this work, critical problem parameters were identified, such as the characteristics of the porosity, the number of dissolved components, etc. The parameters were then used for solving problems which correspond to available experimental data. For each combination of ions and materials, specific data and process characteristics were included: (a) crystal kinetics (nucleation, growth rates or reaction surface rates of crystals, critical suspension concentrations), (b) physico-chemical properties (bulk density, dimensions of generated crystals, ion diffusion coefficients in the solution), (c) operating parameters (macroscopic velocity, flow, or pressure gradient of the solution, ion concentration) (d) microfluidic data (geometry, flow area), (e) porosity data in Darcy description (initial porosity, specific surface area, tortuosity). During the modeling of flow and transport in three
Energy Technology Data Exchange (ETDEWEB)
Nourtier-Mazauric, E.
2003-03-15
This thesis presents a thermodynamic and kinetic model of interactions between a fluid and ideal solid solutions represented by several end-members. The reaction between a solid solution and the aqueous solution results from the competition between the stoichiometric dissolution of the initial solid solution and the co-precipitation of the least soluble solid solution in the fluid at considered time. This model was implemented in ARCHIMEDE, a computer code of reactive transport in porous media, then applied to various examples. In the case of binary solid solutions, a graphical method allowed to determine the compositions of the precipitating solid solutions, with the aid of the end-member chemical potentials. The obtained program could be used to notably model the diagenesis of clayey or carbonated oil reservoirs, or the ground pollutant dispersion. (author)
Tao, Wanghai; Wu, Junhu; Wang, Quanjiu
2017-03-01
Rainfall erosion is a major cause of inducing soil degradation, and rainfall patterns have a significant influence on the process of sediment yield and nutrient loss. The mathematical models developed in this study were used to simulate the sediment and nutrient loss in surface runoff. Four rainfall patterns, each with a different rainfall intensity variation, were applied during the simulated rainfall experiments. These patterns were designated as: uniform-type, increasing-type, increasing- decreasing -type and decreasing-type. The results revealed that changes in the rainfall intensity can have an appreciable impact on the process of runoff generation, but only a slight effect on the total amount of runoff generated. Variations in the rainfall intensity in a rainfall event not only had a significant effect on the process of sediment yield and nutrient loss, but also the total amount of sediment and nutrient produced, and early high rainfall intensity may lead to the most severe erosion and nutrient loss. In this study, the calculated data concur with the measured values. The model can be used to predict the process of surface runoff, sediment transport and nutrient loss associated with different rainfall patterns.
Indian Academy of Sciences (India)
Deepak Swami; P K Sharma; C S P Ojha
2014-12-01
In this paper, we have studied the behaviour of reactive solute transport through stratified porous medium under the influence of multi-process nonequilibrium transport model. Various experiments were carried out in the laboratory and the experimental breakthrough curves were observed at spatially placed sampling points for stratified porous medium. Batch sorption studies were also performed to estimate the sorption parameters of the material used in stratified aquifer system. The effects of distance dependent dispersion and tailing are visible in the experimental breakthrough curves. The presence of physical and chemical non-equilibrium are observed from the pattern of breakthrough curves. Multi-process non-equilibrium model represents the combined effect of physical and chemical non-ideality in the stratified aquifer system. The results show that the incorporation of distance dependent dispersivity in multi-process non-equilibrium model provides best fit of observed data through stratified porous media. Also, the exponential distance dependent dispersivity is more suitable for large distances and at small distances, linear or constant dispersivity function can be considered for simulating reactive solute in stratified porous medium.
Davit, Y.
2012-07-26
In this work, we study the transient behavior of homogenized models for solute transport in two-region porous media. We focus on the following three models: (1) a time non-local, two-equation model (2eq-nlt). This model does not rely on time constraints and, therefore, is particularly useful in the short-time regime, when the timescale of interest (t) is smaller than the characteristic time (τ 1) for the relaxation of the effective macroscale parameters (i. e., when t ≤ τ 1); (2) a time local, two-equation model (2eq). This model can be adopted when (t) is significantly larger than (τ 1) (i.e., when t≫τ 1); and (3) a one-equation, time-asymptotic formulation (1eq ∞). This model can be adopted when (t) is significantly larger than the timescale (τ 2) associated with exchange processes between the two regions (i. e., when t≫τ 2). In order to obtain insight into this transient behavior, we combine a theoretical approach based on the analysis of spatial moments with numerical and analytical results in several simple cases. The main result of this paper is to show that there is only a weak asymptotic convergence of the solution of (2eq) towards the solution of (1eq ∞) in terms of standardized moments but, interestingly, not in terms of centered moments. The physical interpretation of this result is that deviations from the Fickian situation persist in the limit of long times but that the spreading of the solute is eventually dominating these higher order effects. © 2012 Springer Science+Business Media B.V.
Modelling of present and future hydrology and solute transport at Forsmark. SR-Site Biosphere
Energy Technology Data Exchange (ETDEWEB)
Bosson, Emma (Swedish Nuclear Fuel and Waste Management Co., Stocholm (Sweden)); Sassner, Mona; Sabel, Ulrika; Gustafsson, Lars-Goeran (DHI Sverige AB (Sweden))
2010-10-15
Radioactive waste from nuclear power plants in Sweden is managed by the Swedish Nuclear Fuel and Waste Management Co, SKB. SKB has performed site investigations at two different locations in Sweden, referred to as the Forsmark and Laxemar-Simpevarp areas, with the objective of siting a final repository for high-level radioactive waste. In 2009 a decision was made to focus on the Forsmark site. This decision was based on a large amount of empirical evidence suggesting Forsmark to be more suitable for a geological repository /SKB 2010b/. This report presents model results of numerical flow and transport modelling of surface water and near-surface groundwater at the Forsmark site for present and future conditions. Both temperate and periglacial climates have been simulated. Also different locations of the shoreline have been applied to the model, as well as different models of vegetation and Quaternary deposits. The modelling was performed using the modelling tool MIKE SHE and was based on the SDM-Site Forsmark MIKE SHE model (presented by Bosson et al. in SKB report R-08-09). The present work is a part of the biosphere modelling performed for the SR-Site safety assessment. The Forsmark area has a flat, small-scale topography. The study area is almost entirely below 20 m.a.s.l. (metres above sea level). There is a strong correlation between the topography of the ground surface and the ground water level in the Quaternary deposits (QD); thus, the surface water divides and the groundwater divides for the QD can be assumed to coincide. No major water courses flow through the catchment. Small brooks, which often dry out in the summer, connect the different sub-catchments with each other. The main lakes in the area, Lake Bolundsfjaerden, Lake Fiskarfjaerden, Lake Gaellsbotraesket and Lake Eckarfjaerden, all have sizes of less than one km2. The lakes are in general shallow. Approximately 70% of the catchment areas are covered by forest. Agricultural land is only present in
Mortuza, S. M.; Taufique, M. F. N.; Banerjee, Soumik
2017-02-01
The power conversion efficiency (PCE) of planar perovskite solar cells (PSCs) has reached up to ∼20%. However, structural and chemicals defects that lead to hysteresis in the perovskite based thin film pose challenges. Recent work has shown that thin films of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) deposited on the photo absorption layer, using solution processing techniques, minimize surface pin holes and defects thereby increasing the PCE. We developed and employed a multiscale model based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) to establish a relationship between deposition rate and surface coverage on perovskite surface. The MD simulations of PCBMs dispersed in chlorobenzene, sandwiched between (110) perovskite substrates, indicate that PCBMs are deposited through anchoring of the oxygen atom of carbonyl group to the exposed lead (Pb) atom of (110) perovskite surface. Based on rates of distinct deposition events calculated from MD, kMC simulations were run to determine surface coverage at much larger time and length scales than accessible by MD alone. Based on the model, a generic relationship is established between deposition rate of PCBMs and surface coverage on perovskite crystal. The study also provides detailed insights into the morphology of the deposited film.
Moeys, J.; Larsbo, M.; Bergström, L.; Brown, C. D.; Coquet, Y.; Jarvis, N. J.
2012-07-01
Estimating pesticide leaching risks at the regional scale requires the ability to completely parameterise a pesticide fate model using only survey data, such as soil and land-use maps. Such parameterisations usually rely on a set of lookup tables and (pedo)transfer functions, relating elementary soil and site properties to model parameters. The aim of this paper is to describe and test a complete set of parameter estimation algorithms developed for the pesticide fate model MACRO, which accounts for preferential flow in soil macropores. We used tracer monitoring data from 16 lysimeter studies, carried out in three European countries, to evaluate the ability of MACRO and this "blind parameterisation" scheme to reproduce measured solute leaching at the base of each lysimeter. We focused on the prediction of early tracer breakthrough due to preferential flow, because this is critical for pesticide leaching. We then calibrated a selected number of parameters in order to assess to what extent the prediction of water and solute leaching could be improved. Our results show that water flow was generally reasonably well predicted (median model efficiency, ME, of 0.42). Although the general pattern of solute leaching was reproduced well by the model, the overall model efficiency was low (median ME = -0.26) due to errors in the timing and magnitude of some peaks. Preferential solute leaching at early pore volumes was also systematically underestimated. Nonetheless, the ranking of soils according to solute loads at early pore volumes was reasonably well estimated (concordance correlation coefficient, CCC, between 0.54 and 0.72). Moreover, we also found that ignoring macropore flow leads to a significant deterioration in the ability of the model to reproduce the observed leaching pattern, and especially the early breakthrough in some soils. Finally, the calibration procedure showed that improving the estimation of solute transport parameters is probably more important than the
Directory of Open Access Journals (Sweden)
J. Moeys
2012-07-01
Full Text Available Estimating pesticide leaching risks at the regional scale requires the ability to completely parameterise a pesticide fate model using only survey data, such as soil and land-use maps. Such parameterisations usually rely on a set of lookup tables and (pedotransfer functions, relating elementary soil and site properties to model parameters. The aim of this paper is to describe and test a complete set of parameter estimation algorithms developed for the pesticide fate model MACRO, which accounts for preferential flow in soil macropores. We used tracer monitoring data from 16 lysimeter studies, carried out in three European countries, to evaluate the ability of MACRO and this "blind parameterisation" scheme to reproduce measured solute leaching at the base of each lysimeter. We focused on the prediction of early tracer breakthrough due to preferential flow, because this is critical for pesticide leaching. We then calibrated a selected number of parameters in order to assess to what extent the prediction of water and solute leaching could be improved.
Our results show that water flow was generally reasonably well predicted (median model efficiency, ME, of 0.42. Although the general pattern of solute leaching was reproduced well by the model, the overall model efficiency was low (median ME = −0.26 due to errors in the timing and magnitude of some peaks. Preferential solute leaching at early pore volumes was also systematically underestimated. Nonetheless, the ranking of soils according to solute loads at early pore volumes was reasonably well estimated (concordance correlation coefficient, CCC, between 0.54 and 0.72. Moreover, we also found that ignoring macropore flow leads to a significant deterioration in the ability of the model to reproduce the observed leaching pattern, and especially the early breakthrough in some soils. Finally, the calibration procedure showed that improving the estimation of solute transport parameters is
Directory of Open Access Journals (Sweden)
J. Moeys
2012-02-01
Full Text Available Estimating pesticide leaching risks at the regional scale requires the ability to completely parameterise a pesticide fate model using only survey data, such as soil and land-use maps. Such parameterisation usually rely on a set of lookup tables and (pedotransfer functions, relating elementary soil and site properties to model parameters. The aim of this paper is to describe and test a complete set of parameter estimation algorithms developed for the pesticide fate model MACRO, which accounts for preferential flow in soil macropores. We used tracer monitoring data from 16 lysimeter studies, carried out in three European countries, to evaluate the ability of MACRO and this "blind parameterisation" scheme to reproduce measured solute leaching at the base of each lysimeter. We focused on the prediction of early tracer breakthrough due to preferential flow, because this is critical for pesticide leaching. We then calibrated a selected number of parameters in order to assess to what extent the prediction of water and solute leaching could be improved.
Our results show that water flow was generally reasonably well predicted (median model efficiency, ME, of 0.42. Although the general pattern of solute leaching was reproduced well by the model, the overall model efficiency was low (median ME = −0.26 due to errors in the timing and magnitude of some peaks. Preferential solute leaching at early pore volumes was also systematically underestimated. Nonetheless, the ranking of soils according to solute loads at early pore volumes was reasonably well estimated (concordance correlation coefficient, CCC, between 0.54 and 0.72. Moreover, we also found that ignoring macropore flow leads to a significant deterioration in the ability of the model to reproduce the observed leaching pattern, and especially the early breakthrough in some soils. Finally, the calibration procedure showed that improving the estimation of solute transport parameters is probably
Modelling of present and future hydrology and solute transport at Forsmark. SR-Site Biosphere
Energy Technology Data Exchange (ETDEWEB)
Bosson, Emma (Swedish Nuclear Fuel and Waste Management Co., Stocholm (Sweden)); Sassner, Mona; Sabel, Ulrika; Gustafsson, Lars-Goeran (DHI Sverige AB (Sweden))
2010-10-15
Radioactive waste from nuclear power plants in Sweden is managed by the Swedish Nuclear Fuel and Waste Management Co, SKB. SKB has performed site investigations at two different locations in Sweden, referred to as the Forsmark and Laxemar-Simpevarp areas, with the objective of siting a final repository for high-level radioactive waste. In 2009 a decision was made to focus on the Forsmark site. This decision was based on a large amount of empirical evidence suggesting Forsmark to be more suitable for a geological repository /SKB 2010b/. This report presents model results of numerical flow and transport modelling of surface water and near-surface groundwater at the Forsmark site for present and future conditions. Both temperate and periglacial climates have been simulated. Also different locations of the shoreline have been applied to the model, as well as different models of vegetation and Quaternary deposits. The modelling was performed using the modelling tool MIKE SHE and was based on the SDM-Site Forsmark MIKE SHE model (presented by Bosson et al. in SKB report R-08-09). The present work is a part of the biosphere modelling performed for the SR-Site safety assessment. The Forsmark area has a flat, small-scale topography. The study area is almost entirely below 20 m.a.s.l. (metres above sea level). There is a strong correlation between the topography of the ground surface and the ground water level in the Quaternary deposits (QD); thus, the surface water divides and the groundwater divides for the QD can be assumed to coincide. No major water courses flow through the catchment. Small brooks, which often dry out in the summer, connect the different sub-catchments with each other. The main lakes in the area, Lake Bolundsfjaerden, Lake Fiskarfjaerden, Lake Gaellsbotraesket and Lake Eckarfjaerden, all have sizes of less than one km2. The lakes are in general shallow. Approximately 70% of the catchment areas are covered by forest. Agricultural land is only present in
Baveye, Philippe; Valocchi, Albert
1989-06-01
Three different conceptual frameworks have been adopted in the past for the development of mathematical models of bacterial growth and biologically reacting solute transport in saturated porous media. Two schools of thought are based upon assuming that the pore scale geometrical configuration of the attached bacteria consists of biofilms or microcolonies; the third school of thought represents the traditional approach where pore scale processes are neglected and the bacteria are assumed to respond to the macroscopic bulk fluid substrate concentration. On the basis of a schematic block diagram representation of a saturated porous medium hosting a microbial population, it is shown that these frameworks share a common theoretical foundation, and that they differ only by the choice of particular constitutive equations for several transfer parameters. Using one possible option in this respect, we derive a mathematical model that involves no unwarranted assumption about the distribution of the microorganisms in the pore space. The governing equations of this latter model are shown to be formally identical to those obtained by F.J. Molz et al. (1986), using the concept of microcolony, and to those that would result from adopting a simple form of biofilm model to describe bacterial growth in the pore space. Some of the consequences of this formal similarity between macroscopic transport equations obtained in different conceptual frameworks are discussed from an operational standpoint and in terms of model validation.
Three-Dimensional Analytical Modeling of Diffusion-Limited Solute Transport.
1986-07-01
Wilson and Geankopolis (1966) developed the following correlation to determine kf in terms of the Reynolds (Re) and Schmidt (Sc) numbers: D1.09 1R...of diffusion coefficients in dilute solutions, AIChE J., 1(2), 264-270. Wilson, E. J., and C. J. Geankopolis , 1966. Liquid mass transfer at very low
Lekakis, E. H.; Antonopoulos, V. Z.
2015-11-01
Simulation models can be important tools for analyzing and managing irrigation, soil salinization or crop production problems. In this study a mathematical model that describes the water movement and mass transport of individual ions (Ca2+, Mg2+ and Na+) and overall soil salinity by means of the soil solution electrical conductivity, is used. The mass transport equations of Ca2+, Mg2+ and Na+ have been incorporated as part of the integrated model WANISIM and the soil salinity was computed as the sum of individual ions. The model was calibrated and validated against field data, collected during a three year experiment in plots of maize, irrigated with three different irrigation water qualities, at Thessaloniki area in Northern Greece. The model was also used to evaluate salinization and sodification hazards by the use of irrigation water with increasing electrical conductivity of 0.8, 3.2 and 6.4 dS m-1, while maintaining a ratio of Ca2+:Mg2+:Na+ equal to 3:3:2. The qualitative and quantitative procedures for results evaluation showed that there was good agreement between the simulated and measured values of the water content, overall salinity and the concentration of individual soluble cations, at two soil layers (0-35 and 35-75 cm). Nutrient uptake was also taken into account. Locally available irrigation water (ECiw = 0.8 dS m-1) did not cause soil salinization or sodification. On the other hand, irrigation water with ECiw equal to 3.2 and 6.4 dS m-1 caused severe soil salinization, but not sodification. The rainfall water during the winter seasons was not sufficient to leach salts below the soil profile of 110 cm. The modified version of model WANISIM is able to predict the effects of irrigation with saline waters on soil and plant growth and it is suitable for irrigation management in areas with scarce and low quality water resources.
One-dimensional spatially dependent solute transport in semi ...
African Journals Online (AJOL)
One-dimensional spatially dependent solute transport in semi-infinite porous media: an analytical solution. ... Journal Home > Vol 9, No 4 (2017) > ... In this mathematical model the dispersion coefficient is considered spatially dependent while ...
Stochastic Modeling Of Field-Scale Water And Solute Transport Through The Unsaturated Zone Of Soils
DEFF Research Database (Denmark)
Loll, Per
were previously thought not to pose a leaching threat. Thus, a reevaluation of our understanding of the mechanisms governing chemical fate in the unsaturated zone of soils has been necessary, in order for us to make better decisions regarding widely different issues such as agricultural management...... of pesticides and nutrients, and risk identification and assessment at polluted (industrial) sites. One of the key factors requiring our attention when we are trying to predict field-scale chemical leaching is spatial variability of the soil and the influence it exerts on both water and chemical transport...
Upscaling transport of adsorbing solutes in porous media: pore-network modeling
Raoof, A.; Hassanizadeh, S.M.; Leijnse, A.
2010-01-01
The main objective of this research was to enhance our understanding of and obtain quantitative relation between Darcy-scale adsorption parameters and pore-scale flow and adsorption parameters, using a three-dimensional multidirectional pore-network model. This helps to scale up from a simplified bu
Task force on modelling of groundwater flow and transport of solutes. Task 5 Summary report
Energy Technology Data Exchange (ETDEWEB)
Rhen, Ingvar [SWECO VIAK AB, Goeteborg (Sweden); Smellie, John [Conterra AB, Uppsala (Sweden)
2003-02-01
The Aespoe Hard Rock Laboratory is located in the Simpevarp area, southeast Sweden, some 35 km north of Oskarshamn. Construction of the underground laboratory commenced in 1990 and was completed in 1995, consisting of a 3.6 km. long tunnel excavated in crystalline rock to a depth of approximately 460 m. Prior to, during and subsequent to completion, research concerning the deep geological disposal of nuclear waste in fractured crystalline rock has been carried out. Central to this research has been the characterisation of the groundwater flow system and the chemistry of the groundwaters at Aespoe prior to excavation (Pre-investigation Phase) and subsequently to monitor changes in these parameters during the evolution of laboratory construction (Construction Phase). The principle aim of the Aespoe Task 5 modelling exercise has been to compare and ultimately integrate hydrogeochemistry and hydrogeology using the input data from the pre-investigation and construction phases. The main objectives were: to assess the consistency of groundwater-flow models and hydrogeochemical mixing-reaction models through integration and comparison of hydraulic and hydrogeochemical data obtained before and during tunnel construction, and to develop a procedure for integration of hydrological and hydrogeochemical information which could be used for disposal site assessments. Task 5 commenced in 1998 and was finalised in 2002. Participating modelling teams in the project represented ANDRA (France; three modelling teams - ANTEA, ITASCA, CEA), BMWi/BGR (Germany), ENRESA (Spain), JNC (Japan), CRIEPI (Japan), Posiva (Finland) and SKB (Sweden; two modelling teams - CFE and Intera (now GeoPoint)). Experience from Task 5 has highlighted several important aspects for site investigations facilitating the possibilities for mathematically integrated modelling and consistency checks that should be taken into account for future repository performance assessments. Equally important is that Task 5 has
Energy Technology Data Exchange (ETDEWEB)
Molinero, Jorge; Arcos, David; Duro, Lara (Amphos XXI Consulting S.L., Barcelona (Spain))
2008-08-15
This report summarises the main findings achieved by spatial analysis of hydrochemical information using 3D visualisation techniques with the available Forsmark 2.3 hydrochemical database. A major improvement compared with previous versions is that the current visualisation tool can handle the Fracture Domain geometries of the site, which is useful for integration of hydrochemical data with current geological-hydrogeological conceptual models. It is seen that computed M3 mixing fractions show a spatial distribution qualitatively correlated with key hydrochemical signatures, such as strontium (for Deep Saline), magnesium (for Littorina), 18O and 2H (for Glacial) and tritium (for Modified meteoric). It is worth noting that the most saline waters with the highest Deep Saline signatures are located at deformation zones adjacent to the strongly foliated rocks, which constitute fracture domains FFM04 and FFM05, out of the target area. Maximum glacial signatures are also located outside the target area. In general terms, it is seen that hydrochemical spatial distribution is consistent with the current hydrogeological conceptual model, where the 'shallow bedrock aquifer' would be responsible for the observed preservation of Littorina signatures down to a depth of 150-200 m
Column Holdup Formula of Soil Solute Transport
Institute of Scientific and Technical Information of China (English)
无
2000-01-01
The shortcomings of the present two formulae for describing column holdup are analyzed and deductions are made to find a new formula. The column holdup, Hw, described by the new formula is dimensional,and related to soil solute transport kinesis and column physical properties. Compared with the other two column holdups, Hw is feasible to describe dimensional column holdup during solute transport process. The relationships between Hw and retardation factor, R, in different solute transport boundary conditions are established.
Clothier, B. E.; van der Velde, M.; Green, S. R.; Gee, G. W.; Manu, V.; Menoniti, V.; Vanclooster, M.
2005-05-01
Intensification of agriculture on the raised coral atolls of the Tongan archipelago, notably through squash-pumpkin production, has lead to increased use of agrichemicals. Agrichemicals, both fertilisers and pesticides, pose a risk to these fragile environments. Sustainable land-management practices are needed for small-island developing states. On Tongatapu, solutes leaving the rootzone of the squash can rapidly find their way to the underlying freshwater lenses. These lenses are hydraulically linked to the internal lagoon, and the fringing reefs. We have used buried, non-suction fluxmeters to monitor both the quantity and quality of drainage leaving the rootzone of squash. Fertiliser is traditionally applied at planting. During establishment of the squash in 2003, some 350 mm of rain fell, with 70 % of this leaving the rootzone of this permeable soil as drainage. The concentration of nitrate-N in the drainage water was measured at around 50 mg-N/L. All of the initial fertiliser dressing had been lost, along with N mineralised from the plowed-in grass. Pesticides are needed in humid tropical environments to control weeds, pests and diseases. These chemicals can leach though the rootzone to contaminate receiving waters. We modeled the transport and fate of the presticides used in squash production, and we developed a Decision Support Tool (DST). Our DST can be used to select the best pesticides for local conditions, to tailor practices for minimising leaching losses below the rootzone, and to avoid the build-up of residues in the soil. This project, funded by the European Union and NZAID, took a multi-disciplinary approach through measurement and modeling protocols. Our DST enabled us to engage the wider community and stakeholders. There has been increased awareness of the impacts and risks associated with productive land management in the fragile hydrological environments of this small-island developing state.
Types of solutions improving passenger transport interconnectivity
Directory of Open Access Journals (Sweden)
Monika BĄK
2012-01-01
Full Text Available The objective of the paper is to present different types of solutions which could improve interconnectivity of passenger transport especially within interconnections between long and short transport distance. The topic has particular relevance at the European level because the European transport networks’ role as integrated international networks is compromised by poor interconnectivity and because the next generation of European transport policies will have to be sensitive to the differences between short, medium and long-term transport markets and the market advantages of each transport mode. In this context, a realistic assessment of intermodal opportunities is a key ingredient to future policy development.Effective interconnection requires the provision of integrated networks and services which are attractive to potential users and this is likely to require co-operation between a range of authorities and providers in the public and private sectors and may necessitate a wider vision than might otherwise prevail.The paper is based on the results of the project realised by the team of the University of Gdansk in the EU funded 7 Framework Programme - INTERCONNECT (Interconnection between short- and long-distance transport networks with partners in the UK, Germany, Denmark, Poland, Spain and Italy. Different types of solutions will be summarized in the paper including e.g. local link infrastructure solutions, improved local public transport services, improvements at the interchange, solutions involving improved procedures for check-in or luggage transfer & documentation, pricing and ticketing solutions, solutions involving marketing, information and sales.
Urban Transportation: Issue and Solution
Directory of Open Access Journals (Sweden)
Haryati Shafii
2011-10-01
Full Text Available Generally, quality of life of urban population is heavily dependent on social facilities provided within the environment. One of the most important facilities is transportations. Study on transportation mode in an urban area is especially very important because for almost every individual living in a large and densely populated area, mobility is one of the most crucial issues in everyday life. Enhance mobility, faster journey to work and less pollution from petrol-propelled vehicles can increase the quality of life, which in turn lead to a sustainable urban living. The study present transportation mode usage issues faced by community related to quality of life in an urban area. This study identifies several issues of transportation mode in urban areas and its impact on the quality of life. The study areas are Putrajaya, Kuala Lumpur and Bandar Kajang, Selangor. The methodology used in this research is secondary and primary data. The questionnaires for the survey were distributed from May 2008 to Jun 2008. These researches were conducted on 144 respondents for to evaluate their perception of transportation mode correlated to the quality of life. The collected data were then analyzed using “Statistical Packages for the Social Science” (SPSS. The respondents comprise of 61 males and 84 females from the age group of 18 to 57 years. This study identifies the percentage of public transportation mode usage in urban area, such as buses (16.7%, train (ERL, monorail and commuter-6.4%; which is very low compared to owning personal car (45.8% and motorcycle (25.4%.The result shows owning personal car is the highest (45.8% in three study areas and monorail and taxi are the lowest (1.4%. The Chi Square Test shows that among the mode transportation with traffic jam is quite difference in Kuala Lumpur, Putrajaya and Kajang. Analysis of the Chi Square Test shows the result is 0.000 (two sides to respondent answering “yes” and analysis of Spearman
de Vries, Enno T.; Raoof, Amir; van Genuchten, Marinus Th.
2017-01-01
Many environmental and agricultural applications involve the transport of water and dissolved constituents through aggregated soil profiles, or porous media that are structured, fractured or macroporous in other ways. During the past several decades, various process-based macroscopic models have bee
DEFF Research Database (Denmark)
Bjerg, Poul Løgstrup; Ammentorp, Hans Christian; Christensen, Thomas Højlund
1993-01-01
A large-scale and long-term field experiment on cation exchange in a sandy aquifer has been modelled by a three-dimensional geochemical transport model. The geochemical model includes cation-exchange processes using a Gaines-Thomas expression, the closed carbonate system and the effects of ionic...... of 800 days due to a substantially attenuation in the aquifer. The observed and the predicted breakthrough curves showed a reasonable accordance taking the duration of the experiment into account. However, some discrepancies were observed probably caused by the revealed non-ideal exchange behaviour of K+....
Voss, Clifford I.; Provost, A.M.
2002-01-01
SUTRA (Saturated-Unsaturated Transport) is a computer program that simulates fluid movement and the transport of either energy or dissolved substances in a subsurface environment. This upgraded version of SUTRA adds the capability for three-dimensional simulation to the former code (Voss, 1984), which allowed only two-dimensional simulation. The code employs a two- or three-dimensional finite-element and finite-difference method to approximate the governing equations that describe the two interdependent processes that are simulated: 1) fluid density-dependent saturated or unsaturated ground-water flow; and 2) either (a) transport of a solute in the ground water, in which the solute may be subject to: equilibrium adsorption on the porous matrix, and both first-order and zero-order production or decay; or (b) transport of thermal energy in the ground water and solid matrix of the aquifer. SUTRA may also be used to simulate simpler subsets of the above processes. A flow-direction-dependent dispersion process for anisotropic media is also provided by the code and is introduced in this report. As the primary calculated result, SUTRA provides fluid pressures and either solute concentrations or temperatures, as they vary with time, everywhere in the simulated subsurface system. SUTRA flow simulation may be employed for two-dimensional (2D) areal, cross sectional and three-dimensional (3D) modeling of saturated ground-water flow systems, and for cross sectional and 3D modeling of unsaturated zone flow. Solute-transport simulation using SUTRA may be employed to model natural or man-induced chemical-species transport including processes of solute sorption, production, and decay. For example, it may be applied to analyze ground-water contaminant transport problems and aquifer restoration designs. In addition, solute-transport simulation with SUTRA may be used for modeling of variable-density leachate movement, and for cross sectional modeling of saltwater intrusion in
Performance Analysis of Solution Transportation Absorption Chiller
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.
The solute carrier 6 family of transporters
DEFF Research Database (Denmark)
Bröer, Stefan; Gether, Ulrik
2012-01-01
The solute carrier 6 (SLC6) family of the human genome comprises transporters for neurotransmitters, amino acids, osmolytes and energy metabolites. Members of this family play critical roles in neurotransmission, cellular and whole body homeostasis. Malfunction or altered expression...... of these transporters is associated with a variety of diseases. Pharmacological inhibition of the neurotransmitter transporters in this family is an important strategy in the management of neurological and psychiatric disorders. This review provides an overview of the biochemical and pharmacological properties...... of the SLC6 family transporters....
A stochastic method of solution of the Parker transport equation
Wawrzynczak, A; Gil, A
2015-01-01
We present the stochastic model of the galactic cosmic ray (GCR) particles transport in the heliosphere. Based on the solution of the Parker transport equation we developed models of the short-time variation of the GCR intensity, i.e. the Forbush decrease (Fd) and the 27-day variation of the GCR intensity. Parker transport equation being the Fokker-Planck type equation delineates non-stationary transport of charged particles in the turbulent medium. The presented approach of the numerical solution is grounded on solving of the set of equivalent stochastic differential equations (SDEs). We demonstrate the method of deriving from Parker transport equation the corresponding SDEs in the heliocentric spherical coordinate system for the backward approach. Features indicative the preeminence of the backward approach over the forward is stressed. We compare the outcomes of the stochastic model of the Fd and 27-day variation of the GCR intensity with our former models established by the finite difference method. Both ...
Silva, J V C; Peixoto, P D S; Lortal, S; Floury, J
2013-10-01
During cheese ripening, microorganisms grow as immobilized colonies, metabolizing substrates present in the matrix and generating products from enzymatic reactions. Local factors that limit the rates of diffusion, either within the general cheese matrix or near the colonies, may influence the metabolic activity of the bacteria during ripening, affecting the final quality of the cheese. The objective of this study was to determine the diffusion coefficients of solutes as a function of their different physicochemical characteristics (size, charge, and shape) in an ultrafiltrate (UF) model cheese (based on ultrafiltered milk) to enable better understanding of the ripening mechanisms. Diffusion coefficients of fluorescein isothiocyanate (FITC)-dextrans (4 kDa to 2 MDa) and FITC-labeled dairy proteins (α-lactalbumin, β-lactoglobulin, and BSA) were measured using the technique of fluorescence recovery after photobleaching (FRAP). This study showed that macromolecules up to 2 MDa and proteins could diffuse through the UF model cheese. The larger FITC-dextrans were not more hindered by the structure of the UF model cheese compared with the smaller ones. Any decrease in the diffusion coefficients of solutes was related only to their hydrodynamic radii. The FITC-dextran diffusion data were fitted to an obstruction model, resulting in a constant obstruction factor (k ~0.42). Diffusion in the model cheese was sensitive to the physicochemical characteristics of the solute. The FITC-dairy proteins studied (rigid and negatively charged molecules) were hindered to a greater degree than the FITC-dextrans (flexible and charge-neutral molecules) in the UF model cheese. The existence of steric and electrostatic interactions between the protein matrix of the UF model cheese and the FITC-dairy proteins could explain the decrease in diffusion compared with FITC-dextrans.
Energy Technology Data Exchange (ETDEWEB)
Hodgkinson, David (Quintessa, Henley-on-Thames (GB))
2007-09-15
This report forms part of an independent review of the specifications, execution and results of Task 6 of the Aespoe Task Force on Modelling of Groundwater Flow and Transport of Solutes, which is seeking to provide a bridge between site characterization and performance assessment approaches to modelling solute transport in fractured rock. The objectives of Task 6 are: To assess simplifications used in Performance Assessment (PA) models. To determine how, and to what extent, experimental tracer and flow experiments can constrain the range of parameters used in PA models. To support the design of Site Characterisation (SC) programmes to ensure that the results have optimal value for performance assessment calculations. To improve the understanding of site-specific flow and transport behaviour at different scales using site characterisation models. The present report is concerned with Tasks 6D, 6E, 6F and 6F2. It follows on from two previous reviews of Tasks 6A, 6B and 6B2, and Task 6C. In Task 6D the transport of tracers through a fracture network is modelled using the conditions of the C2 TRUE-Block Scale tracer test, based on the synthetic structural model developed in Task 6C. Task 6E extends the Task 6D transport calculations to a reference set of PA time scales and boundary conditions. Task 6F consists of a series of 'benchmark' studies on single features from the Task 6C hydrostructural model in order to improve the understanding of differences between the participating models. Task 6F2 utilises models set up for Tasks 6E and 6F to perform additional sensitivity studies with the aim of increasing the understanding of how models behave, the reason for differences in modelling results, and the sensitivity of models to various assumptions and parameter values. Eight modelling teams representing five organisations participated in this exercise using Discrete Fracture Network (DFN), continuum and channel network concepts implemented in a range of different
Energy Technology Data Exchange (ETDEWEB)
Molinero, J.; Samper, J.
2003-07-01
Several countries around the world are considering the final disposal of high-level radioactive waste in deep repositories located in fractured granite formations. Evaluating the long term safety of such repositories requires sound conceptual and numerical models which must consider simultaneously groundwater flow, solute transport and chemical and radiological processes. These models are being developed from data and knowledge gained from in situ experiments carried out at deep underground laboratories such as that of Aspo, Sweden, constructed in fractured granite. The Redox Zone Experiment is one of such experiments performed at Aspo in order to evaluate the effects of the construction of the access tunnel on the hydrogeological and hydrochemical conditions of a fracture zone intersected by the tunnel. Previous authors interpreted hydrochemical and isotopic data of this experiment using a mass-balance approach based on a qualitative description of groundwater flow conditions. Such an interpretation, however, is subject to uncertainties related to an over-simplified conceptualization of groundwater flow. Here we present numerical models of groundwater flow and solute transport for this fracture zone. The first model is based on previously published conceptual model. It presents noticeable un consistencies and fails to match simultaneously observed draw downs and chloride breakthrough curves. To overcome its limitations, a revised flow and transport model is presented which relies directly on available hydrodynamic and transport parameters, is based on the identification of appropriate flow and transport boundary conditions and uses, when needed, solute data extrapolated from nearby fracture zones. A significant quantitative improvement is achieved with the revised model because its results match simultaneously drawdown and chloride data. Other improvements are qualitative and include: ensuring consistency of hydrodynamic and hydrochemical data and avoiding
Energy Technology Data Exchange (ETDEWEB)
Samper, Javier; Molinero, Jorg; Changbing, Yang; Zhang, Guoxiang
2003-12-01
The Redox Zone Experiment was carried out at the Aespoe HRL in order to study the redox behavior and the hydrochemistry of an isolated vertical fracture zone disturbed by the excavation of an access tunnel. Overall results and interpretation of the Redox Zone Project were reported by /Banwart et al, 1995/. Later, /Banwart et al, 1999/ presented a summary of the hydrochemistry of the Redox Zone Experiment. Coupled groundwater flow and reactive transport models of this experiment were carried out by /Molinero, 2000/ who proposed a revised conceptual model for the hydrogeology of the Redox Zone Experiment which could explain simultaneously measured drawdown and salinity data. The numerical model was found useful to understand the natural system. Several conclusions were drawn about the redox conditions of recharge waters, cation exchange capacity of the fracture zone and the role of mineral phases such as pyrite, calcite, hematite and goethite. This model could reproduce the measured trends of dissolved species, except for bicarbonate and sulfate which are affected by microbially-mediated processes. In order to explore the role of microbial processes, a coupled numerical model has been constructed which accounts for water flow, reactive transport and microbial processes. The results of this model is presented in this report. This model accounts for groundwater flow and reactive transport in a manner similar to that of /Molinero, 2000/ and extends the preliminary microbial model of /Zhang, 2001/ by accounting for microbially-driven organic matter fermentation and organic matter oxidation. This updated microbial model considers simultaneously the fermentation of particulate organic matter by yeast and the oxidation of dissolved organic matter, a product of fermentation. Dissolved organic matter is produced by yeast and serves also as a substrate for iron-reducing bacteria. Model results reproduce the observed increase in bicarbonate and sulfate concentration, thus
Energy Technology Data Exchange (ETDEWEB)
Samper, Javier; Molinero, Jorge; Changbing Yang; Guoxiang Zhang [Univ. Da Coruna (Spain)
2003-12-01
The Redox Zone Experiment was carried out at the Aespoe HRL in order to study the redox behaviour and the hydrochemistry of an isolated vertical fracture zone disturbed by the excavation of an access tunnel. Overall results and interpretation of the Redox Zone Project were reported by Banwart et al. Later, Banwart presented a summary of the hydrochemistry of the Redox Zone Experiment. Coupled groundwater flow and reactive transport models of this experiment were carried out by Molinero who proposed a revised conceptual model for the hydrogeology of the Redox Zone Experiment which could explain simultaneously measured drawdown and salinity data. The numerical model was found useful to understand the natural system. Several conclusions were drawn about the redox conditions of recharge waters, cation exchange capacity of the fracture zone and the role of mineral phases such as pyrite, calcite, hematite and goethite. This model could reproduce the measured trends of dissolved species, except for bicarbonate and sulphate which are affected by microbially-mediated processes. In order to explore the role of microbial processes, a coupled numerical model has been constructed which accounts for water flow, reactive transport and microbial processes. The results of this model is presented in this report. This model accounts for groundwater flow and reactive transport in a manner similar to that of Molinero and extends the preliminary microbial model of Zhang by accounting for microbially-driven organic matter fermentation and organic matter oxidation. This updated microbial model considers simultaneously the fermentation of particulate organic matter by yeast and the oxidation of dissolved organic matter, a product of fermentation. Dissolved organic matter is produced by yeast and serves also as a substrate for iron-reducing bacteria. Model results reproduce the observed increase in bicarbonate and sulfaphe concentration, thus adding additional evidence for the possibility
Rogiers, Bart
2015-04-01
Since a few years, an increasing number of contributed R packages is becoming available, in the field of hydrology. Hydrological time series analysis packages, lumped conceptual rainfall-runoff models, distributed hydrological models, weather generators, and different calibration and uncertainty estimation methods are all available. Also a few packages are available for solving partial differential equations. Subsurface hydrological modelling is however still seldomly performed in R, or with codes interfaced with R, despite the fact that excellent geostatistical packages, model calibration/inversion options and state-of-the-art visualization libraries are available. Moreover, other popular scientific programming languages like matlab and python have packages for pre- and post-processing files of MODFLOW (Harbaugh 2005) and MT3DMS (Zheng 2010) models. To fill this gap, we present here the development versions of the RMODFLOW and RMT3DMS packages, which allow pre- and post-processing MODFLOW and MT3DMS input and output files from within R. File reading and writing functions are currently available for different packages, and plotting functions are foreseen making use of the ggplot2 package (plotting system based on the grammar of graphics; Wickham 2009). The S3 generic-function object oriented programming style is used for this. An example is provided, making modifications to an existing model, and visualization of the model output. References Harbaugh, A. (2005). MODFLOW-2005: The US Geological Survey Modular Ground-water Model--the Ground-water Flow Process, U.S. Geological Survey Techniques and Methods 6-A16 (p. 253). Wickham, H. (2009). ggplot2: elegant graphics for data analysis. Springer New York, 2009. Zheng, C. (2010). MT3DMS v5.3, a modular three-dimensional multispecies transport model for simulation of advection, dispersion and chemical reactions of contaminants in groundwater systems. Supplemental User's Guide. (p. 56).
Multilevel transport solution of LWR reactor cores
Energy Technology Data Exchange (ETDEWEB)
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.
Merritt, Michael L.; Konikow, Leonard F.
2000-01-01
Heads and flow patterns in surficial aquifers can be strongly influenced by the presence of stationary surface-water bodies (lakes) that are in direct contact, vertically and laterally, with the aquifer. Conversely, lake stages can be significantly affected by the volume of water that seeps through the lakebed that separates the lake from the aquifer. For these reasons, a set of computer subroutines called the Lake Package (LAK3) was developed to represent lake/aquifer interaction in numerical simulations using the U.S. Geological Survey three-dimensional, finite-difference, modular ground-water flow model MODFLOW and the U.S. Geological Survey three-dimensional method-of-characteristics solute-transport model MOC3D. In the Lake Package described in this report, a lake is represented as a volume of space within the model grid which consists of inactive cells extending downward from the upper surface of the grid. Active model grid cells bordering this space, representing the adjacent aquifer, exchange water with the lake at a rate determined by the relative heads and by conductances that are based on grid cell dimensions, hydraulic conductivities of the aquifer material, and user-specified leakance distributions that represent the resistance to flow through the material of the lakebed. Parts of the lake may become ?dry? as upper layers of the model are dewatered, with a concomitant reduction in lake surface area, and may subsequently rewet when aquifer heads rise. An empirical approximation has been encoded to simulate the rewetting of a lake that becomes completely dry. The variations of lake stages are determined by independent water budgets computed for each lake in the model grid. This lake budget process makes the package a simulator of the response of lake stage to hydraulic stresses applied to the aquifer. Implementation of a lake water budget requires input of parameters including those representing the rate of lake atmospheric recharge and evaporation
Energy Technology Data Exchange (ETDEWEB)
M. McGraw
2000-04-13
The UZ Colloid Transport model development plan states that the objective of this Analysis/Model Report (AMR) is to document the development of a model for simulating unsaturated colloid transport. This objective includes the following: (1) use of a process level model to evaluate the potential mechanisms for colloid transport at Yucca Mountain; (2) Provide ranges of parameters for significant colloid transport processes to Performance Assessment (PA) for the unsaturated zone (UZ); (3) Provide a basis for development of an abstracted model for use in PA calculations.
Exact solution of the neutron transport equation in spherical geometry
Energy Technology Data Exchange (ETDEWEB)
Anli, Fikret; Akkurt, Abdullah; Yildirim, Hueseyin; Ates, Kemal [Kahramanmaras Suetcue Imam Univ. (Turkey). Faculty of Sciences and Letters
2017-03-15
Solution of the neutron transport equation in one dimensional slab geometry construct a basis for the solution of neutron transport equation in a curvilinear geometry. Therefore, in this work, we attempt to derive an exact analytical benchmark solution for both neutron transport equations in slab and spherical medium by using P{sub N} approximation which is widely used in neutron transport theory.
Energy Technology Data Exchange (ETDEWEB)
Gwo, J.P.; Jardine, P.M. [Oak Ridge National Lab., TN (United States); Yeh, G.T. [Pennsylvania State Univ., University Park, PA (United States) Department of Civil and Environmental Engineering; Wilson, G.V. [Tennessee Univ., Knoxville, TN (United States). Dept. of Plant and Soil Science
1995-04-01
Matrix diffusion, a diffusive mass transfer process,in the structured soils and geologic units at ORNL, is believe to be an important subsurface mass transfer mechanism; it may affect off-site movement of radioactive wastes and remediation of waste disposal sites by locally exchanging wastes between soil/rock matrix and macropores/fractures. Advective mass transfer also contributes to waste movement but is largely neglected by researchers. This report presents the first documented 2-D multiregion solute transport code (MURT) that incorporates not only diffusive but also advective mass transfer and can be applied to heterogeneous porous media under transient flow conditions. In this report, theoretical background is reviewed and the derivation of multiregion solute transport equations is presented. Similar to MURF (Gwo et al. 1994), a multiregion subsurface flow code, multiplepore domains as suggested by previous investigators (eg, Wilson and Luxmoore 1988) can be implemented in MURT. Transient or steady-state flow fields of the pore domains can be either calculated by MURF or by modelers. The mass transfer process is briefly discussed through a three-pore-region multiregion solute transport mechanism. Mass transfer equations that describe mass flux across pore region interfaces are also presented and parameters needed to calculate mass transfer coefficients detailed. Three applications of MURT (tracer injection problem, sensitivity analysis of advective and diffusive mass transfer, hillslope ponding infiltration and secondary source problem) were simulated and results discussed. Program structure of MURT and functions of MURT subroutiness are discussed so that users can adapt the code; guides for input data preparation are provided in appendices.
Cui, Zhengtao; Welty, Claire; Gold, Arthur J; Groffman, Peter M; Kaushal, Sujay S; Miller, Andrew J
2016-05-01
A three-dimensional groundwater flow and multispecies reactive transport model was used to strategically design placement of bioreactors in the subsurface to achieve maximum removal of nitrate along restored stream reaches. Two hypothetical stream restoration scenarios were evaluated over stream reaches of 40 and 94 m: a step-pool scenario and a channel re-meandering scenario. For the step-pool scenario, bioreactors were placed at locations where mass fluxes of groundwater and nitrate were highest. Bioreactors installed over 50% of the total channel length of a step-pool scenario (located to intercept maximum groundwater and nitrate mass flux) removed nitrate-N entering the channel at a rate of 36.5 kg N yr (100 g N d), achieving about 65% of the removal of a whole-length bioreactor. Bioreactor placement for the re-meandering scenario was designed using a criterion of either highest nitrate mass flux or highest groundwater flux, but not both, because they did not occur together. Bioreactors installed at maximum nitrate flux locations (53% of the total channel length) on the western bank removed nitrate-N entering the channel at 62.0 kg N yr (170 g N d), achieving 85% of nitrate-N removal of whole-length bioreactors for the re-meandering scenario. Bioreactors installed at maximum groundwater flux locations on the western bank along approximately 40% of the re-meandering channel achieved about 65% of nitrate removal of whole-length bioreactors. Placing bioreactors at maximum nitrate flux locations improved denitrification efficiency. Due to low groundwater velocities, bioreactor nitrate-N removal was found to be nitrate limited for all scenarios.
End-Member Formulation of Solid Solutions and Reactive Transport
Energy Technology Data Exchange (ETDEWEB)
Lichtner, Peter C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
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.
The prediction of solute transport in surcharged manholes using CFD.
Lau, S D; Stovin, V R; Guymer, I
2007-01-01
Solute transport processes occur within a wide range of water engineering structures, and urban drainage engineers increasingly rely on modelling tools to represent the transport of dissolved materials. The models take as input representative travel time and dispersion characteristics for key system components, and these generally have to be identified via field or laboratory measurements. Computational Fluid Dynamics (CFD) has the potential to reveal the underlying hydraulic processes that control solute transport, and to provide a generic means of identifying relevant parameter values. This paper reports on a study that has been undertaken to evaluate the feasibility of utilising a CFD-based approach to modelling solute transport. Discrete phase modelling has been adopted, as this is computationally efficient and robust when compared with the time-dependent solution of the advection-dispersion equation. Simulation results are compared with published laboratory data characterising the dispersion effects of surcharged manholes, focusing specifically on an 800 mm diameter laboratory manhole for a flowrate of 0.002 m(3)/s and a range of surcharge depths. Preliminary indications are that the CFD results adequately replicate the measured downstream temporal concentration profiles, and that a threshold surcharge depth, corresponding to a change in hydraulic regime within the manhole, can also be identified.
Solute transport through porous media using asymptotic dispersivity
Indian Academy of Sciences (India)
P K Sharma; Teodrose Atnafu Abgaze
2015-08-01
In this paper, multiprocess non-equilibrium transport equation has been used, which accounts for both physical and chemical non-equilibrium for reactive transport through porous media. An asymptotic distance dependent dispersivity is used to embrace the concept of scale-dependent dispersion for solute transport in heterogeneous porous media. Semi-analytical solution has been derived of the governing equations with an asymptotic distance dependent dispersivity by using Laplace transform technique and the power series method. For application of analytical model, we simulated observed experimental breakthrough curves from 1500 cm long soil column experiments conducted in the laboratory. The simulation results of break-through curves were found to deviate from the observed breakthrough curves for both mobile–immobile and multiprocess non-equilibrium transport with constant dispersion models. However, multiprocess non-equilibrium with an asymptotic dispersion model gives better fit of experimental breakthrough curves through long soil column and hence it is more useful for describing anomalous solute transport through hetero-geneous porous media. The present model is simpler than the stochastic numerical method.
Pathogen transport in groundwater systems: contrasts with traditional solute transport
Hunt, Randall J.; Johnson, William P.
2017-06-01
Water quality affects many aspects of water availability, from precluding use to societal perceptions of fit-for-purpose. Pathogen source and transport processes are drivers of water quality because they have been responsible for numerous outbreaks resulting in large economic losses due to illness and, in some cases, loss of life. Outbreaks result from very small exposure (e.g., less than 20 viruses) from very strong sources (e.g., trillions of viruses shed by a single infected individual). Thus, unlike solute contaminants, an acute exposure to a very small amount of contaminated water can cause immediate adverse health effects. Similarly, pathogens are larger than solutes. Thus, interactions with surfaces and settling become important even as processes important for solutes such as diffusion become less important. These differences are articulated in "Colloid Filtration Theory", a separate branch of pore-scale transport. Consequently, understanding pathogen processes requires changes in how groundwater systems are typically characterized, where the focus is on the leading edges of plumes and preferential flow paths, even if such features move only a very small fraction of the aquifer flow. Moreover, the relatively short survival times of pathogens in the subsurface require greater attention to very fast (<10 year) flow paths. By better understanding the differences between pathogen and solute transport mechanisms discussed here, a more encompassing view of water quality and source water protection is attained. With this more holistic view and theoretical understanding, better evaluations can be made regarding drinking water vulnerability and the relation between groundwater and human health.
Pathogen transport in groundwater systems: contrasts with traditional solute transport
Hunt, Randall J.; Johnson, William P.
2016-12-01
Water quality affects many aspects of water availability, from precluding use to societal perceptions of fit-for-purpose. Pathogen source and transport processes are drivers of water quality because they have been responsible for numerous outbreaks resulting in large economic losses due to illness and, in some cases, loss of life. Outbreaks result from very small exposure (e.g., less than 20 viruses) from very strong sources (e.g., trillions of viruses shed by a single infected individual). Thus, unlike solute contaminants, an acute exposure to a very small amount of contaminated water can cause immediate adverse health effects. Similarly, pathogens are larger than solutes. Thus, interactions with surfaces and settling become important even as processes important for solutes such as diffusion become less important. These differences are articulated in "Colloid Filtration Theory", a separate branch of pore-scale transport. Consequently, understanding pathogen processes requires changes in how groundwater systems are typically characterized, where the focus is on the leading edges of plumes and preferential flow paths, even if such features move only a very small fraction of the aquifer flow. Moreover, the relatively short survival times of pathogens in the subsurface require greater attention to very fast (<10 year) flow paths. By better understanding the differences between pathogen and solute transport mechanisms discussed here, a more encompassing view of water quality and source water protection is attained. With this more holistic view and theoretical understanding, better evaluations can be made regarding drinking water vulnerability and the relation between groundwater and human health.
Directory of Open Access Journals (Sweden)
Minglin Lang
Full Text Available The aggregation or oligomerization of amyloid-β (Aβ peptide is thought to be the primary causative event in the pathogenesis of Alzheimer's disease (AD. Considerable in vitro evidence indicates that the aggregation/oligomerization of Aβ is promoted in the presence of Zn; however, the functional role of Zn in AD pathogenesis is still not well clarified in vivo. Zn is imported into the brain mainly through the solute-linked carrier (Slc 39 family transporters. Using a genetically tractable Drosophila model, we found that the expression of dZip1, the orthologue of human Slc39 family transporter hZip1 in Drosophila, was altered in the brains of Aβ42-expressing flies, and Zn homeostasis could be modulated by forcible dZip1 expression changes. An array of phenotypes associated with Aβ expression could be modified by altering dZip1 expression. Importantly, Aβ42 fibril deposits as well as its SDS-soluble form were dramatically reduced upon dZip1 inhibition, resulting in less neurodegeneration, significantly improved cognitive performance, and prolonged lifespan of the Aβ42-transgenic flies. These findings suggest that zinc contributes significantly to the Aβ pathology, and manipulation of zinc transporters in AD brains may provide a novel therapeutic strategy.
Nonrelativistic grey Sn-transport radiative-shock solutions
Ferguson, J. M.; Morel, J. E.; Lowrie, R. B.
2017-06-01
We present semi-analytic radiative-shock solutions in which grey Sn-transport is used to model the radiation, and we include both constant cross sections and cross sections that depend on temperature and density. These new solutions solve for a variable Eddington factor (VEF) across the shock domain, which allows for interesting physics not seen before in radiative-shock solutions. Comparisons are made with the grey nonequilibrium-diffusion radiative-shock solutions of Lowrie and Edwards [1], which assumed that the Eddington factor is constant across the shock domain. It is our experience that the local Mach number is monotonic when producing nonequilibrium-diffusion solutions, but that this monotonicity may disappear while integrating the precursor region to produce Sn-transport solutions. For temperature- and density-dependent cross sections we show evidence of a spike in the VEF in the far upstream portion of the radiative-shock precursor. We show evidence of an adaptation zone in the precursor region, adjacent to the embedded hydrodynamic shock, as conjectured by Drake [2,3], and also confirm his expectation that the precursor temperatures adjacent to the Zel'dovich spike take values that are greater than the downstream post-shock equilibrium temperature. We also show evidence that the radiation energy density can be nonmonotonic under the Zel'dovich spike, which is indicative of anti-diffusive radiation flow as predicted by McClarren and Drake [4]. We compare the angle dependence of the radiation flow for the Sn-transport and nonequilibrium-diffusion radiation solutions, and show that there are considerable differences in the radiation flow between these models across the shock structure. Finally, we analyze the radiation flow to understand the cause of the adaptation zone, as well as the structure of the Sn-transport radiation-intensity solutions across the shock structure.
Tosco, Tiziana; Gastone, Francesca; Sethi, Rajandrea
2014-10-01
In the present work column transport tests were performed in order to study the mobility of guar-gum suspensions of microscale zero-valent iron particles (MZVI) in porous media. The results were analyzed with the purpose of implementing a radial model for the design of full scale interventions. The transport tests were performed using several concentrations of shear thinning guar gum solutions as stabilizer (1.5, 3 and 4 g/l) and applying different flow rates (Darcy velocity in the range 1 · 10- 4 to 2 · 10- 3 m/s), representative of different distances from the injection point in the radial domain. Empirical relationships, expressing the dependence of the deposition and release parameters on the flow velocity, were derived by inverse fitting of the column transport tests using a modified version of E-MNM1D (Tosco and Sethi, 2010) and the user interface MNMs (www.polito.it/groundwater/software). They were used to develop a comprehensive transport model of MZVI suspensions in radial coordinates, called E-MNM1R, which takes into account the non Newtonian (shear thinning) rheological properties of the dispersant fluid and the porous medium clogging associated with filtration and sedimentation in the porous medium of both MZVI and guar gum residual undissolved particles. The radial model was run in forward mode to simulate the injection of MZVI dispersed in guar gum in conditions similar to those applied in the column transport tests. In a second stage, we demonstrated how the model can be used as a valid tool for the design and the optimization of a full scale intervention. The simulation results indicated that several concurrent aspects are to be taken into account for the design of a successful delivery of MZVI/guar gum slurries via permeation injection, and a compromise is necessary between maximizing the radius of influence of the injection and minimizing the injection pressure, to guarantee a sufficiently homogeneous distribution of the particles around the
RADIONUCLIDE TRANSPORT MODELS UNDER AMBIENT CONDITIONS
Energy Technology Data Exchange (ETDEWEB)
S. Magnuson
2004-11-01
The purpose of this model report is to document the unsaturated zone (UZ) radionuclide transport model, which evaluates, by means of three-dimensional numerical models, the transport of radioactive solutes and colloids in the UZ, under ambient conditions, from the repository horizon to the water table at Yucca Mountain, Nevada.
Paloma, Cynthia S.
The plasma electron temperature (Te) plays a critical role in a tokamak nu- clear fusion reactor since temperatures on the order of 108K are required to achieve fusion conditions. Many plasma properties in a tokamak nuclear fusion reactor are modeled by partial differential equations (PDE's) because they depend not only on time but also on space. In particular, the dynamics of the electron temperature is governed by a PDE referred to as the Electron Heat Transport Equation (EHTE). In this work, a numerical method is developed to solve the EHTE based on a custom finite-difference technique. The solution of the EHTE is compared to temperature profiles obtained by using TRANSP, a sophisticated plasma transport code, for specific discharges from the DIII-D tokamak, located at the DIII-D National Fusion Facility in San Diego, CA. The thermal conductivity (also called thermal diffusivity) of the electrons (Xe) is a plasma parameter that plays a critical role in the EHTE since it indicates how the electron temperature diffusion varies across the minor effective radius of the tokamak. TRANSP approximates Xe through a curve-fitting technique to match experimentally measured electron temperature profiles. While complex physics-based model have been proposed for Xe, there is a lack of a simple mathematical model for the thermal diffusivity that could be used for control design. In this work, a model for Xe is proposed based on a scaling law involving key plasma variables such as the electron temperature (Te), the electron density (ne), and the safety factor (q). An optimization algorithm is developed based on the Sequential Quadratic Programming (SQP) technique to optimize the scaling factors appearing in the proposed model so that the predicted electron temperature and magnetic flux profiles match predefined target profiles in the best possible way. A simulation study summarizing the outcomes of the optimization procedure is presented to illustrate the potential of the
Energy Technology Data Exchange (ETDEWEB)
Filho, J. F. P. [Institute de Matematica, Estatistica e Fisica, Universidade Federal do Rio Grande, Av. Italia, s/n, 96203-900 Rio Grande, RS (Brazil); Barichello, L. B. [Institute de Matematica, Universidade Federal do Rio Grande do Sul, Av. Bento Goncalves, 9500, 91509-900 Porto Alegre, RS (Brazil)
2013-07-01
In this work, an analytical discrete ordinates method is used to solve a nodal formulation of a neutron transport problem in x, y-geometry. The proposed approach leads to an important reduction in the order of the associated eigenvalue systems, when combined with the classical level symmetric quadrature scheme. Auxiliary equations are proposed, as usually required for nodal methods, to express the unknown fluxes at the boundary introduced as additional unknowns in the integrated equations. Numerical results, for the problem defined by a two-dimensional region with a spatially constant and isotropically emitting source, are presented and compared with those available in the literature. (authors)
Henri, Christopher V.; Fernàndez-Garcia, Daniel
2015-12-01
The interplay between the spatial variability of the aquifer hydraulic properties, mass transfer due to sub-grid heterogeneity and chemical reactions often complicates reactive transport simulations. It is well documented that hydro-biochemical properties are ubiquitously heterogeneous and that diffusion and slow advection at the sub-grid scale typically leads to the conceptualization of an aquifer as a multi-porosity system. Within this context, chemical reactions taking place in mobile/immobile water regions can be substantially different between each other. This paper presents a particle-based method that can efficiently simulate heterogeneity, network reactions and multi-rate mass transfer. The approach is based on the development of transition probabilities that describe the likelihood that particles belonging to a given species and mobile/immobile domain at a given time will be transformed into another species and mobile/immobile domain afterwards. The joint effect of mass transfer and sequential degradation is shown to be non-trivial. A characteristic rebound of degradation products can be observed. This late rebound of concentrations is not driven by any change in the flow regime (e.g., pumping ceases in the pump-and-treat remediation strategy) but due to the natural interplay between mass transfer and chemical reactions. To illustrate that the method can simultaneously represent mass transfer, spatially varying properties and network reactions without numerical problems, we have simulated the degradation of tetrachloroethylene (PCE) in a three-dimensional fully heterogeneous aquifer subjected to rate-limited mass transfer. Two types of degradation modes were considered to compare the effect of an active biofilm with that of clay pods present in the aquifer. Results of the two scenarios display significantly differences. Biofilms that promote the degradation of compounds in an immobile region are shown to significantly enhance degradation, rapidly producing
Vaccaro, J.J.; Bolke, E.L.
1983-01-01
The principal dissolved constituents in water in the Spokane aquifer are calcium and bicarbonate. These constituents (as well as dissolved solids, hardness, and magnesium) each correlate well with specific conductance, whereas chloride, sodium, and nitrate each do not. Specific conductance ranges from 73 to 820 micromhos per centimeter throughout the study area. Short-term variations in water quality in the Spokane aquifer are generally greater than long-term variations. Vertical variations in concentration of chemical constituents occurred in four of 15 wells used to sample the upper 50 feet of the aquifer along several cross sections. Changes in water quality from one cross section to another could not be directly related to land-use activities. A digital model was developed and used to simulate solute transport of conservative ions in the Spokane aquifer. Specifically, the model was used to estimate the impact of the chloride ion from recharge through septic tanks and from irrigation on the water quality of the aquifer. Analysis shows that the estimated impact on the aquifer from these two source loadings was less than a 1-milligram-per-liter increase throughout approximately 80 percent of the aquifer, but increases averaging about 3 milligrams per liter occurred in some peripheral areas. Various water-quality-management schemes based on manmade or natural stresses can be tested with the model.
Energy Technology Data Exchange (ETDEWEB)
Faure, M.H.
1994-03-01
Understanding the mechanisms which control the transient transport of particles and radionuclides in natural and artificial porous media is a key problem for the assessment of safety of radioactive waste disposals. An experimental study has been performed to characterize the clayey particle mobility in porous media: a laboratory- made column, packed with an unconsolidated sand bentonite (5% weight) sample, is flushed with a salt solution. An original method of salinity gradient allowed us to show and to quantify some typical behaviours of this system: threshold effects in the peptization of particles, creation of preferential pathways, formation of immobile water zones induce solute-transfer limitation. The mathematical modelling accounts for a phenomenological law, where the distribution of particles between the stagnant water zone and the porous medium is a function of sodium chloride concentration. This distribution function is associated with a radionuclide adsorption model, and is included in a convective dispersive transport model with stagnant water zones. It allowed us to simulate the particle and solute transport when the salt environment is modified. The complete model has been validated with experiments involving cesium, calcium and neptunium in a sodium chloride gradient. (author). refs., figs., tabs.
Community Sediment Transport Model
2007-01-01
are used to determine that model results are consistent across compilers, platforms, and computer architectures , and to ensure that changes in code do...Mississippi State University: Bhate During the early months of this project, the focus was on understanding ROMS-CSTM model, architecture , and...Marchesiello, J.C. McWilliams, & K.D. Stolzenbach, 2007: Sediment transport modeling on Southern Californian shelves: A ROMS case study. Continental
Energy Technology Data Exchange (ETDEWEB)
Fernandes, Julio C.L.; Vilhena, Marco T.; Bodmann, Bardo E.J., E-mail: julio.lombaldo@ufrgs.br, E-mail: mtmbvilhena@gmail.com, E-mail: bardo.bodmann@ufrgs.br [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Dept. de Matematica Pura e Aplicada; Dulla, Sandra; Ravetto, Piero, E-mail: sandra.dulla@polito.it, E-mail: piero.ravetto@polito.it [Dipartimento di Energia, Politecnico di Torino, Piemonte (Italy)
2015-07-01
In this work we generalize the solution of the one-dimensional neutron transport equation to a multi- group approach in planar geometry. The basic idea of this work consists in consider the hierarchical construction of a solution for a generic number G of energy groups, starting from a mono-energetic solution. The hierarchical method follows the reasoning of the decomposition method. More specifically, the additional terms from adding energy groups is incorporated into the recursive scheme as source terms. This procedure leads to an analytical representation for the solution with G energy groups. The recursion depth is related to the accuracy of the solution, that may be evaluated after each recursion step. The authors present a heuristic analysis of stability for the results. Numerical simulations for a specific example with four energy groups and a localized pulsed source. (author)
Energy Technology Data Exchange (ETDEWEB)
Zhang, Guoxiang; Spycher, Nicolas; Xu, Tianfu; Sonnenthal, Eric; Steefel , Carl
2006-12-15
In this report, we present: -- The Pitzer ion-interactiontheory and models -- Input file requirements for using the TOUGHREACTPitzer ion-interaction model and associated databases -- Run-time errormessages -- Verification test cases and application examples. For themain code structure, features, overall solution methods, description ofinput/output files for parameters other than those specific to theimplemented Pitzer model, and error messages, see the TOUGHREACT User'sGuide (Xu et al., 2005). The TOUGHREACT Pitzer version runs on aDEC-alpha architecture CPU, under OSF1 V5.1, with Compaq Digital FortranCompiler. The compiler run-time libraries are required for execution aswell as compilation. The code also runs on Intel Pentium IV andhigher-version CPU-based machines with Compaq Visual Fortran Compiler orIntel Fortran Compiler (integrated with the Microsoft DevelopmentEnvironment). The minimum hardware configuration should include 1 GB RAMand 1 GB (2 GB recommended) of available disk space.
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%).
Huan, Huan; Wang, Jinsheng; Lai, Desheng; Teng, Yanguo; Zhai, Yuanzheng
2015-05-01
Well vulnerability assessment is essential for groundwater source protection. A quantitative approach to assess well vulnerability in a well capture zone is presented, based on forward solute transport modeling. This method was applied to three groundwater source areas (Jiuzhan, Hadawan and Songyuanhada) in Jilin City, northeast China. The ratio of the maximum contaminant concentration at the well to the released concentration at the contamination source ( c max/ c 0) was determined as the well vulnerability indicator. The results indicated that well vulnerability was higher close to the pumping well. The well vulnerability in each groundwater source area was low. Compared with the other two source areas, the cone of depression at Jiuzhan resulted in higher spatial variability of c max/ c 0 and lower minimum c max/ c 0 by three orders of magnitude. Furthermore, a sensitivity analysis indicated that the denitrification rate in the aquifer was the most sensitive with respect to well vulnerability. A process to derive a NO3-N concentration at the pumping well is presented, based on determining the maximum nitrate loading limit to satisfy China's drinking-water quality standards. Finally, the advantages, disadvantages and prospects for improving the precision of this well vulnerability assessment approach are discussed.
Palladino, Mario; Di Fiore, Paola; Speranza, Giuseppe; Sica, Benedetto; Romano, Nunzio
2015-04-01
This work is part of a series of studies being carried out within the EU-Life+ project ECOREMED (Implementation of eco-compatible protocols for agricultural soil remediation in Litorale Domizio-Agro Aversano NIPS). The project refers to Litorale Domitio-Agro Aversano that has been identified as National Interest Priority Site (NIPS) and includes some polluted agricultural land belonging to more than 61 municipalities in the Naples and Caserta provinces of the Campania Region. The major aim of the project is to define an operating protocol for agriculture-based bioremediation of contaminated agricultural soils, also including the use of plant extracting pollutants to be used as biomasses for renewable energy production. This contribution specifically address the question of evaluating the effectiveness of phytoremediation actions selected by the project in the pilot area of Trentola-Ducenta and will provide some preliminary results of monitoring and modeling activities. A physical and hydraulic characterization has been carried out in this area where poplar trees were planted. Monitoring of water flow, root water uptake and solute transport in the soil-plant-atmosphere is under way with reference to two trees using capacitance soil moisture and matric potential sensors located at three different soil depths, whereas plant water status and evapotranspiration fluxes are indirectly estimated using fast-responding stem dendrometers.
Energy Technology Data Exchange (ETDEWEB)
Molinero Huguet, J.
2001-07-01
This work deals with numerical modeling of groundwater flow, solute transport and chemical reactions through fractured media. These models have been developed within the framework of research activities founded by ENRESA , the Spanish Company for Nuclear Waste Management. This project is the result of a collaborative agreement between ENRESA and his equivalent Swedish Company (SKB) through the research project Task Force 5 of the Aspo Underground Laboratory. One of the objectives of this project is to assess quantitatively th hydrogeological and hydrochemical impact produced by the construction of a Deep Geological Repository in fractured granites. This is important because the new conditions altered construction impact will constitute the initial conditions for the repository closure stage. A second goo l of this work deals with testing the ability of current numerical tools to cope simultaneously with the complex hydrogeological and hydrochemical settlings, which are expected to take place in actual nuclear waste underground repositories constructed in crystalline fractured bed racks. This study has been undertaken through the performance of numerical models, which have subsequently been applied to simulate the hydrogeological and hydrochemical behavior of a granite massif, at a kilo metrical scale, during construction of the Aspo Hard Rock Underground Laboratory (Sweden). The Aspo Hard Rock Laboratory is a prototype, full-scale underground facility launched and operated by SKB. The main aim of the laboratory is to provide an opportunity for research, development and demonstration in a realistic rock environment down to the depth planned for the future deep repository. The framework of this underground facility provides a unique opportunity to attempt the objectives of the present dissertation. (Author)
One-dimensional spatially dependent solute transport in semi ...
African Journals Online (AJOL)
Development of an analytical solutions for groundwater pollution problems are major ... parameters for description of solute transport in porous media. ..... in Department of Mathematics & Astronomy, Lucknow University, Lucknow, India.
Johannesson, Björn
2000-01-01
A theoretical model is established for diffusion of different types of ions in pore solution of concrete and the coupling to moisture flow and moisture content. Mass exchanges between ions in pore solution and solid hydration products in the concrete are also considered. The basic concepts behind the so-called mixture theory are used.
A depth integrated model for suspended transport
Galappatti, R.
1983-01-01
A new depth averaged model for suspended sediment transport in open channels has been developed based on an asymptotic solution to the two dimensional convection-diffusion equation in the vertical plane. The solution for the depth averaged concentration is derived from the bed boundary condition and
Energy Technology Data Exchange (ETDEWEB)
Elert, M.; Svensson, Haakan [Kemakta Konsult AB, Stockholm (Sweden)
2001-05-01
The Aespoe Task Force on Modelling of Groundwater Flow and Transport of Solutes is a forum for the international organisations supporting the Aespoe HRL Project. The purpose of the Task Force is to interact in the area of conceptual and numerical modelling of groundwater flow and solute transport in fractured rock. Task 4 of the Aespoe Modelling Task Force consists of modelling exercises in support of the TRUE-1 tracer tests. In this report, the modelling work performed within Tasks 4E and 4F is evaluated, which comprised predictive modelling of the tracer tests (STT-1, STT-1b and STT-2) performed within the TRUE-1 project using sorbing and non-sorbing tracers. The tests were made between packed off boreholes penetrating a water-conducting geological feature with a simple structure (Feature A). Nine modelling teams representing eight organisations have performed predictive modelling of the tracer tests using different modelling approaches and models. The modelling groups were initially given data from the site characterisation, data from preliminary tracer tests performed with non-sorbing tracers and data on the experimental set-up of the sorbing tracer tests. Based on this information, model predictions were made of drawdown, tracer mass recovery and tracer breakthrough. For the predictions of the STT-1b and STT-2 tests results from previous tracer tests with sorbing tracer were also available. The predictions of the sorbing tracer breakthrough in the initial tracer test (STT-1) generally underestimated the breakthrough time, suggesting the need to include additional processes and evaluate the application of the laboratory data. As a result of model calibration and modification the predictions were considerably improved for the latter tracer tests (STT-1b and STT-2). Task 4E and 4F have proved to be very valuable in increasing the understanding of non-sorbing tracer transport in fractured rock. There is a general consensus on the major processes responsible for
DEFF Research Database (Denmark)
Jensen, Mads Mønster; De Weerdt, K.; Johannesson, Björn;
2015-01-01
Simulations of ion ingress in Portland cement mortar using a multi-species reactive mass transport model are compared with experimental test results. The model is an extended version of the Poisson–Nernst–Planck equations, accounting for chemical equilibrium. Saturated mortar samples were exposed...
Groupage Cargo Transportation Model
Directory of Open Access Journals (Sweden)
Aleksejevs Ruslans
2016-03-01
Full Text Available In this work we consider a specific problem of optimal planning of maritime transportation of multiproduct cargo by ships of one (corporate strategy or several (partially corporate strategy companies: the core of the problem consists of the existence of the network of intermediate seaports (i.e. transitional seaports, where for every ship arrived the cargo handling is done, and which are situated between the starting and the finishing seaports. In this work, there are mathematical models built from scratch in the form of multicriteria optimization problem; then the goal attainment method of Gembicki is used for reducing the built models to a one-criterion problem of linear programming.
JOVIAN STRATOSPHERE AS A CHEMICAL TRANSPORT SYSTEM: BENCHMARK ANALYTICAL SOLUTIONS
Energy Technology Data Exchange (ETDEWEB)
Zhang Xi; Shia Runlie; Yung, Yuk L., E-mail: xiz@gps.caltech.edu [Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA 91125 (United States)
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.
An adaptive approach to implementing innovative urban transport solutions
Marchau, V.; Walker, W.; Van Duin, R.
2009-01-01
Urban transport is facing an increasing number of problems. Innovative technological solutions have been proposed for many of these problems. The implementation of these solutions, however, is surrounded by many uncertainties—for example, future relevant developments for urban transport demand and s
Transport phenomena during nanofiltration of concentrated solutions
Bargeman, Gerrald
2016-01-01
In most scientific studies on nanofiltration either the development of new membrane materials or the characterization of membranes is reported. In the latter case most studies use single solute salt or sugar solutions and/or investigate nanofiltration of solutions with mixtures of ions at low concen
Despagne, Wilfried; Frenod, Emmanuel
2014-01-01
Purpose: The purpose of this paper is to investigate the road freight haulage activity. Using the physical and data flow information from a freight forwarder, we intend to model the flow of inbound and outbound goods in a freight transport hub. Approach: This paper presents the operation of a road haulage group. To deliver goods within two days to any location in France, a haulage contractor needs to be part of a network. This network handles the processing of both physical goods and data. We...
Energy Technology Data Exchange (ETDEWEB)
Elert, M. [Kemakta Konsult AB, Stockholm (Sweden)
1999-05-01
The `Aespoe task force on modelling of groundwater flow and transport of solutes` is a forum for the international organisations supporting the Aespoe HRL Project. The purpose of the Task Force is to interact in the area of conceptual and numerical modelling of groundwater flow and solute transport in fractured rock. Task 4 of the Aespoe Modelling Task Force consists of modelling exercises in support of the TRUE-1 tracer tests. In this report, the modelling work performed within Tasks 4C and 4D is evaluated, which comprised predictive modelling of the radially converging tracer tests and dipole tracer tests performed within the TRUE-1 tests using non-sorbing tracers. The tests were performed between packed off boreholes penetrating a water-conducting geological feature with a simple structure (Feature A). These tests are to a great extent preparatory steps for the subsequent tests with sorbing radioactive tracers. In Tasks 4E and 4F of the Aespoe Modelling Task Force predictive modelling of the sorbing tracer tests is performed. Eight modelling teams representing seven organisations have performed predictive modelling using different modelling approaches and models. The modelling groups were initially given data from the site characterisation and data on the experimental set-up of the tracer tests. Based on this information model predictions were performed of drawdown, tracer mass recovery and tracer breakthrough. The performed predictions shows that the concept of Feature A as a singular well-connected feature with limited connectivity to its surroundings is quite adequate for predictions of drawdown in boreholes and conservative tracer breakthrough. Reasonable estimates were obtained using relatively simple models. However, more elaborate models with calibration or conditioning of transmissivities and transport apertures are required for more accurate predictions. The general flow and transport processes are well understood, but the methodology to derive the
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.
Transport Process of Isopropanol Aqueous Solution by Pervaporation
Institute of Scientific and Technical Information of China (English)
无
2007-01-01
To study the transport process of isopropanol aqueous solution by pervaporation, the transport model of isopropanol and that of water at 323 K in polyvinyl alcohol(PVA) membrane were obtained in this paper. Theoretical predictions agreed well with the experimental results. The interactional parameter between water and PVA membrane is less than that between isopropanol and PVA membrane, which shows that water is preferentially dissolved in PVA membrane. The plasticizing coefficient and diffusion coefficient at infinite dilution of water are larger than those of isopropanol,which shows that the dissolution and permeation in PVA membrane of water are greater than those of isopropanol. Both the interactional parameter between water and isopropanol in the membrane and that in feed rise with the increase of isopropanol content in feed, which shows that the larger isopropanol content is, the higher selectivity of the membrane is and the more remarkable separation effect of pervaporation is.
Solute transport scales in an unsaturated stony soil
Coppola, Antonio; Comegna, Alessandro; Dragonetti, Giovanna; Dyck, Miles; Basile, Angelo; Lamaddalena, Nicola; Kassab, Mohamed; Comegna, Vincenzo
2011-06-01
Solute transport parameters are known to be scale-dependent due mainly to the increasing scale of heterogeneities with transport distance and with the lateral extent of the transport field examined. Based on a transect solute transport experiment, in this paper we studied this scale dependence by distinguishing three different scales with different homogeneity degrees of the porous medium: the observation scale, transport scale and transect scale. The main objective was to extend the approach proposed by van Wesenbeeck and Kachanoski to evaluating the role of textural heterogeneities on the transition from the observation scale to the transport scale. The approach is based on the scale dependence of transport moments estimated from solute concentrations distributions. In our study, these moments were calculated starting from time normalized resident concentrations measured by time domain reflectometry (TDR) probes at three depths in 37 soil sites 1 m apart along a transect during a steady state transport experiment. The Generalized Transfer Function (GTF) was used to describe the evolution of apparent solute spreading along the soil profile at each observation site by analyzing the propagation of the moments of the concentration distributions. Spectral analysis was used to quantify the relationship between the solid phase heterogeneities (namely, texture and stones) and the scale dependence of the solute transport parameters. Coupling the two approaches allowed us to identify two different transport scales (around 4-5 m and 20 m, respectively) mainly induced by the spatial pattern of soil textural properties. The analysis showed that the larger transport scale is mainly determined by the skeleton pattern of variability. Our analysis showed that the organization in hierarchical levels of soil variability may have major effects on the differences between solute transport behavior at transport scale and transect scale, as the transect scale parameters will include
Directory of Open Access Journals (Sweden)
Jacek Waniewski
2016-01-01
Full Text Available During peritoneal dialysis (PD, the peritoneal membrane undergoes ageing processes that affect its function. Here we analyzed associations of patient age and dialysis vintage with parameters of peritoneal transport of fluid and solutes, directly measured and estimated based on the pore model, for individual patients. Thirty-three patients (15 females; age 60 (21–87 years; median time on PD 19 (3–100 months underwent sequential peritoneal equilibration test. Dialysis vintage and patient age did not correlate. Estimation of parameters of the two-pore model of peritoneal transport was performed. The estimated fluid transport parameters, including hydraulic permeability (LpS, fraction of ultrasmall pores (αu, osmotic conductance for glucose (OCG, and peritoneal absorption, were generally independent of solute transport parameters (diffusive mass transport parameters. Fluid transport parameters correlated whereas transport parameters for small solutes and proteins did not correlate with dialysis vintage and patient age. Although LpS and OCG were lower for older patients and those with long dialysis vintage, αu was higher. Thus, fluid transport parameters—rather than solute transport parameters—are linked to dialysis vintage and patient age and should therefore be included when monitoring processes linked to ageing of the peritoneal membrane.
Waniewski, Jacek; Antosiewicz, Stefan; Baczynski, Daniel; Poleszczuk, Jan; Pietribiasi, Mauro; Lindholm, Bengt; Wankowicz, Zofia
2016-01-01
During peritoneal dialysis (PD), the peritoneal membrane undergoes ageing processes that affect its function. Here we analyzed associations of patient age and dialysis vintage with parameters of peritoneal transport of fluid and solutes, directly measured and estimated based on the pore model, for individual patients. Thirty-three patients (15 females; age 60 (21-87) years; median time on PD 19 (3-100) months) underwent sequential peritoneal equilibration test. Dialysis vintage and patient age did not correlate. Estimation of parameters of the two-pore model of peritoneal transport was performed. The estimated fluid transport parameters, including hydraulic permeability (LpS), fraction of ultrasmall pores (α u), osmotic conductance for glucose (OCG), and peritoneal absorption, were generally independent of solute transport parameters (diffusive mass transport parameters). Fluid transport parameters correlated whereas transport parameters for small solutes and proteins did not correlate with dialysis vintage and patient age. Although LpS and OCG were lower for older patients and those with long dialysis vintage, αu was higher. Thus, fluid transport parameters--rather than solute transport parameters--are linked to dialysis vintage and patient age and should therefore be included when monitoring processes linked to ageing of the peritoneal membrane.
Radionuclide Transport Models Under Ambient Conditions
Energy Technology Data Exchange (ETDEWEB)
G. Moridis; Q. Hu
2001-12-20
The purpose of Revision 00 of this Analysis/Model Report (AMR) is to evaluate (by means of 2-D semianalytical and 3-D numerical models) the transport of radioactive solutes and colloids in the unsaturated zone (UZ) under ambient conditions from the potential repository horizon to the water table at Yucca Mountain (YM), Nevada.
U.S. Geological Survey, Department of the Interior — Pore network simulations were performed to investigate the electrical geophysical signature of solute-transport in dual-domain media. This data release includes...
Aqueous Solution Vessel Thermal Model Development II
Energy Technology Data Exchange (ETDEWEB)
Buechler, Cynthia Eileen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2015-10-28
The work presented in this report is a continuation of the work described in the May 2015 report, “Aqueous Solution Vessel Thermal Model Development”. This computational fluid dynamics (CFD) model aims to predict the temperature and bubble volume fraction in an aqueous solution of uranium. These values affect the reactivity of the fissile solution, so it is important to be able to calculate them and determine their effects on the reaction. Part A of this report describes some of the parameter comparisons performed on the CFD model using Fluent. Part B describes the coupling of the Fluent model with a Monte-Carlo N-Particle (MCNP) neutron transport model. The fuel tank geometry is the same as it was in the May 2015 report, annular with a thickness-to-height ratio of 0.16. An accelerator-driven neutron source provides the excitation for the reaction, and internal and external water cooling channels remove the heat. The model used in this work incorporates the Eulerian multiphase model with lift, wall lubrication, turbulent dispersion and turbulence interaction. The buoyancy-driven flow is modeled using the Boussinesq approximation, and the flow turbulence is determined using the k-ω Shear-Stress-Transport (SST) model. The dispersed turbulence multiphase model is employed to capture the multiphase turbulence effects.
A TSP-Based Military Transportations Optimization Model and Its Solution%基于TSP的军交VRP优化模型及其求解
Institute of Scientific and Technical Information of China (English)
张锦; 宋业新; 李芳; 陈新响
2011-01-01
通过引入虚拟配送中心的概念,将军交VRP转化为约束性TSP,然后构建了结构完备且能较好适应LINGO9.0编程规则的优化模型;最后以典型案例为对象进行仿真分析,验证了模型的正确性和求解实现的可行性和高效性.%With the introducing of conceptual virtual distribution center, which transforms the traditional military transportations VRP to a restricting TSP, an optimization model of military transportations VRP is established in accordance with the programming rules of LINGO. In the end, to verify the accuracy of the model, the feasibility and high effectiveness of its solving, a simulation case analysis is provided.
Pérez Guerrero, J. S.; Skaggs, T. H.
2010-08-01
SummaryMathematical models describing contaminant transport in heterogeneous porous media are often formulated as an advection-dispersion transport equation with distance-dependent transport coefficients. In this work, a general analytical solution is presented for the linear, one-dimensional advection-dispersion equation with distance-dependent coefficients. An integrating factor is employed to obtain a transport equation that has a self-adjoint differential operator, and a solution is found using the generalized integral transform technique (GITT). It is demonstrated that an analytical expression for the integrating factor exists for several transport equation formulations of practical importance in groundwater transport modeling. Unlike nearly all solutions available in the literature, the current solution is developed for a finite spatial domain. As an illustration, solutions for the particular case of a linearly increasing dispersivity are developed in detail and results are compared with solutions from the literature. Among other applications, the current analytical solution will be particularly useful for testing or benchmarking numerical transport codes because of the incorporation of a finite spatial domain.
Institute of Scientific and Technical Information of China (English)
房远方; 张志红; 杜修力
2015-01-01
考虑堆场上覆堆积体自重引起的土体固结与溶质运移的耦合效应已成为环境土工领域中的热点问题。在 Biot 固结理论和溶质运移理论相结合的基础上，以孔隙率作为耦合参量，将固结方程与运移方程相联系，考虑土体固结对溶质运移模型参数的影响，建立了溶质在固结变形土体中运移的三维耦合模型。采用多场耦合有限元软件 COMSOL Multiphysics 对模型进行了数值求解。数值模拟结果表明，土体固结变形对溶质运移过程具有较强和持久的阻滞作用，导致溶质运移深度以及污染羽范围的减小，在模拟运移20 a 时，运移距离减小率已高达27．75％，且随着时间的增加而逐渐增大；溶质在水平方向的迁移距离不可忽略，随着横向水力梯度的增大而增大。%The coupling effect of consolidation caused by the waste and the cover,and the solute transport has been widely studied in the field of environmental civil engineering.Based on Biot consolidation theory and solute transport theory,a three-dimensional coupled model of consolidation and solute transport is thus developed and in the modeltheporosity is thecoupled parameter and consolidation equations is linked with transport equations.The influence of consolidation on solute transport parameters is taken into consideration as well..Then,the 3D model coupling the consolidation and solute transport is establishedusing the finite elementsoftware COMSOL Multiphysics.The numerical results show that consolidation deformation retards the transport process of solute leading to decrease in contaminant plume and the transport depth in vertical direction and has a strong and long-term influence on the transport of soluteThe transport distance decreasing rate increased over time and reache27. 75% in 20 years ;the transport distance in the horizontal direction of contaminant concentration increases with the increasing of lateral hydraulic
Establishment and Solution of Wartime POL Transportation Model%战时油料运输模型的建立与求解
Institute of Scientific and Technical Information of China (English)
董仕宝; 冯丹; 校云鹏; 潘路
2015-01-01
油料运输是油料供应的重要环节,战场上油料供应得及时与否直接关系到战争的进程和结局.在深入分析油料运输任务紧急程度以及运油分队作业效率的基础上,建立了战时油料运输模型,最后用实例验证了该模型的科学性、可行性和实用性.%In this paper,on the basis of an in-depth analysis of the extent of urgency of the POL transportation missions and the operational efficiency of the POL transportation fleets,we built the wartime POL transportation model and at the end,through an empirical case,demonstrated the validity,feasibility and practicality of the model.
THE GENERATION OF METABOLIC ENERGY BY SOLUTE TRANSPORT
Konings, W.N; Lolkema, J.S.; Poolman, B.
1995-01-01
Secondary metabolic-energy-generating systems generate a proton motive force (pmf) or a sodium ion motive force (smf) by a process that involves the action of secondary transporters. The (electro)chemical gradient of the solute(s) is converted into the electrochemical gradient of protons or sodium i
Analytical solutions for reactive transport under an infiltration-redistribution cycle.
Severino, Gerardo; Indelman, Peter
2004-05-01
Transport of reactive solute in unsaturated soils under an infiltration-redistribution cycle is investigated. The study is based on the model of vertical flow and transport in the unsaturated zone proposed by Indelman et al. [J. Contam. Hydrol. 32 (1998) 77], and generalizes it by accounting for linear nonequilibrium kinetics. An exact analytical solution is derived for an irreversible desorption reaction. The transport of solute obeying linear kinetics is modeled by assuming equilibrium during the redistribution stage. The model which accounts for nonequilibrium during the infiltration and assumes equilibrium at the redistribution stage is termed partial equilibrium infiltration-redistribution model (PEIRM). It allows to derive approximate closed form solutions for transport in one-dimensional homogeneous soils. These solutions are further applied to computing the field-scale concentration by adopting the Dagan and Bresler [Soil Sci. Soc. Am. J. 43 (1979) 461] column model. The effect of soil heterogeneity on the solute spread is investigated by modeling the hydraulic saturated conductivity as a random function of horizontal coordinates. The quality of the PEIRM is illustrated by calculating the critical values of the Damköhler number which provide the achievable accuracy in estimating the solute mass in the mobile phase. The distinguishing feature of transport during the infiltration-redistribution cycle as compared to that of infiltration only is the finite depth of solute penetration. For irreversible desorption, the maximum solute penetration W/theta(r) is determined by the amount of applied water W and the residual water content theta(r). For sorption-desorption kinetics, the maximum depth of penetration z(r)(e, infinity ) also depends on the ratio between the rate of application and the column-saturated conductivity. It is shown that z(r)(e, infinity ) is bounded between the depths W/(theta(r)+K(d)) and W/theta(r) corresponding to the maximum solute
Directory of Open Access Journals (Sweden)
Yong Zhang
2013-01-01
Full Text Available Heterogeneous media consisting of segregated flow regions are fractional-order systems, where the regional-scale anomalous diffusion can be described by the fractional derivative model (FDM. The standard FDM, however, first, cannot characterize the Darcy-scale dispersion through repacked sand columns, and second, the link between medium properties and model parameters remains unknown. To fill these two knowledge gaps, this study applies a tempered fractional derivative model (TFDM to capture bromide transport through laboratory repacked sand. Column transport experiments are conducted first, where glass beads and silica sand with different diameters are repacked individually. Late-time tails are observed in the breakthrough curves (BTC of bromide even in relatively homogeneous glass beads. The TFDM can capture the observed subdiffusion, especially the late-time BTC with a transient declining rate. Results also show that both the size distribution of repacked sand and the magnitude of fluid velocity can affect subdiffusion. In particular, a wider sand size distribution or a smaller flow rate can enhance the subdiffusion, leading to a smaller time index and a higher truncation parameter in the TFDM. Therefore, the Darcy-scale dispersion follows the tempered stable law, and the model parameters might be related to the soil size and flow conditions.
Sustainable freight transport in South Africa:Domestic intermodal solutions
Directory of Open Access Journals (Sweden)
Jan H. Havenga
2011-11-01
Full Text Available Due to the rapid deregulation of freight transport in South Africa two decades ago, and low historical investment in rail (with resultant poor service delivery, an integrated alternative to road and rail competition was never developed. High national freight logistics costs, significant road infrastructure challenges and environmental impact concerns of a road-dominated freight transport market have, however, fuelled renewed interest in intermodal transport solutions. In this article, a high-level business case for domestic intermodal solutions in South Africa is presented. The results demonstrate that building three intermodal terminals to connect the three major industrial hubs (i.e. Gauteng, Durban and Cape Town through an intermodal solution could reduce transport costs (including externalities for the identified 11.5 million tons of intermodalfriendly freight flows on the Cape and Natal corridors by 42% (including externalities.
Directory of Open Access Journals (Sweden)
Tafireyi eNemaura
2015-06-01
Full Text Available Understanding drug transportation mechanisms in the human body is of paramount importance in modelling Pharmacokinetic-Pharmacodynamic relationships. This work gives a novel general model of efavirenz transportation projections based on concentrations simulated from patients on a dose of 600mg. The work puts forward a proposition that transportation can wholly be modeled by concentration and time in a uniform volumetric space. Furthermore, movement entities are used to inform the state of kinetic solubility of a solution. There is use of Ricker’s model, and forms of the Hill’s equation in modelling transportation. Characterization on the movement rates of solution particle are suggested in relation to advection rate of solution particle. At turning points on the transportation rate of solution particle vs concentration curve, a suggestion of possibly change of dominance in the mode of transportation and saturation is made. There are four movement rates postulated at primary micro-level transportation, that are attributed to convection, diffusion (passive transportation ( EI and energy dependent system transportation ( ED in relation to advection. Furthermore, a new parameter is introduced which is defined as an advection rate constant of solution particle. It is postulated to be dependent on two rate constants of solution particle, that is a convection rate constant of solution particle and a saturable transportation rate constant of solution particle. At secondary micro-level transportation, the results show convection as sum of advection and saturable transportation. The kinetics of dissolution of efavirenz in the solution space is postulated. Relatively, a good level of kinetics of dissolution is projected in the concentration region 0−32.82μg/ml.
Soil properties and preferential solute transport at the field scale
DEFF Research Database (Denmark)
Koestel, J K; Minh, Luong Nhat; Nørgaard, Trine
An important fraction of water flow and solute transport through soil takes place through preferential flow paths. Although this had been already observed in the nineteenth century, it had been forgotten by the scientific community until it was rediscovered during the 1970s. The awareness...... of the relevance of preferential flow was broadly re-established in the community by the early 1990s. However, since then, the notion remains widespread among soil scientists that the occurrence and strength of preferential flow cannot be predicted from measurable proxy variables such as soil properties or land...... 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...
Kløve, Bjørn; Xu, Shulan; Lindahl, Anna; Wörman, Anders; Søvik, Anne-Kristine
2005-01-01
Hydraulics of subsurface flow filters (SSF) was studied by measurement of soil hydraulic conductivity (K) variation and performing tracer tests in two SSF filters consisting of 1-4 mm Ca rich sand (shell sand). Soil samples were carefully taken at several locations in Filter I. A tracer experiment was conducted in the undisturbed Filter II using KI. The measured K variability in Filer I was used to analyze the variations in tracer breakthrough. The spatially distribution of K was obtained by fitting a variogram to observed data and interpolation using Kriging. The tracer residence probability density function (PDF) was determined by modelling the tracer movement with a 3-D groundwater model. The observed and simulated tracer arrival was compared for cases with constant K, constant K and dispersion (D), and for spatially variable K and dispersion. The results show that groundwater models were well suited to simulate solute movement in the SSF system studied. An almost perfect fit to observed tracer PDF was obtained when variable K and dispersion was included in the model. This indicates that information on K variability and dispersion is important for studying solute movement in SSF constructed wetlands.
Stochastic models of intracellular transport
Bressloff, Paul C.
2013-01-09
The interior of a living cell is a crowded, heterogenuous, fluctuating environment. Hence, a major challenge in modeling intracellular transport is to analyze stochastic processes within complex environments. Broadly speaking, there are two basic mechanisms for intracellular transport: passive diffusion and motor-driven active transport. Diffusive transport can be formulated in terms of the motion of an overdamped Brownian particle. On the other hand, active transport requires chemical energy, usually in the form of adenosine triphosphate hydrolysis, and can be direction specific, allowing biomolecules to be transported long distances; this is particularly important in neurons due to their complex geometry. In this review a wide range of analytical methods and models of intracellular transport is presented. In the case of diffusive transport, narrow escape problems, diffusion to a small target, confined and single-file diffusion, homogenization theory, and fractional diffusion are considered. In the case of active transport, Brownian ratchets, random walk models, exclusion processes, random intermittent search processes, quasi-steady-state reduction methods, and mean-field approximations are considered. Applications include receptor trafficking, axonal transport, membrane diffusion, nuclear transport, protein-DNA interactions, virus trafficking, and the self-organization of subcellular structures. © 2013 American Physical Society.
Multi-compartment Aerosol Transport Model
Energy Technology Data Exchange (ETDEWEB)
Hubbard, Joshua Allen; Santarpia, Joshua; Brotherton, Christopher M.; Omana, Michael Alexis; Rivera, Danielle; Lucero, Gabriel Anthony
2017-06-01
A simple aerosol transport model was developed for a multi-compartmented cleanroom. Each compartment was treated as a well-mixed volume with ventilating supply and return air. Gravitational settling, intercompartment transport, and leakage of exterior air into the system were included in the model. A set of first order, coupled, ordinary differential equations was derived from the conservation equations of aerosol mass and air mass. The system of ODEs was then solved in MATLAB using pre-existing numerical methods. The model was verified against cases of (1) constant inlet-duct concentration, and (2) exponentially decaying inlet-duct concentration. Numerical methods resulted in normalized error of less than 10 -9 when model solutions were compared to analytical solutions. The model was validated against experimental measurements from a single field test and showed good agreement in the shape and magnitude of the aerosol concentration profile with time.
Goods Transport Modelling, Vol 1
DEFF Research Database (Denmark)
Petersen, Morten Steen (red.); Kristiansen, Jørgen
The report is a study of data requirements and methodologies for goods transport. The study is intended to provide the basis for general discussion about the application of goods transport models in Denmark. The report provides an overview of different types of models and data availability....
Quantum transport in 1d systems via a master equation approach: numerics and an exact solution
Znidaric, Marko
2010-01-01
We discuss recent findings about properties of quantum nonequilibrium steady states. In particular we focus on transport properties. It is shown that the time dependent density matrix renormalization method can be used successfully to find a stationary solution of Lindblad master equation. Furthermore, for a specific model an exact solution is presented.
New approach to the solution of the Boltzmann radiation transport equation
Boffi, Vinicio C.; Dunn, William L.
1987-03-01
Transport monodimensional stationary solutions for the angular space-energy neutron flux, of interest in radiation penetration problems, are studied by Green's function method. Explicit analytical results for the spatial moments of the sought solution are obtained for the case of an isotropically scattering slab of infinite thickness and of a continuous slowing down model in energy.
Energy Technology Data Exchange (ETDEWEB)
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.
Energy Technology Data Exchange (ETDEWEB)
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.
Container Logistic Transport Planning Model
Directory of Open Access Journals (Sweden)
Xin Zhang
2013-05-01
Full Text Available The study proposed a stochastic method of container logistic transport in order to solve the unreasonable transportation’s problem and overcome the traditional models’ two shortcomings. Container transport has rapidly developed into a modern means of transportation because of their significant advantages. With the development, it also exacerbated the flaws of transport in the original. One of the most important problems was that the invalid transport had not still reduced due to the congenital imbalances of transportation. Container transport exacerbated the invalid transport for the empty containers. To solve the problem, people made many efforts, but they did not make much progress. There had two theoretical flaws by analyzing the previous management methods in container transport. The first one was the default empty containers inevitability. The second one was that they did not overall consider how to solve the problem of empty containers allocation. In order to solve the unreasonable transportation’s problem and overcome the traditional models’ two shortcomings, the study re-built the container transport planning model-gravity model. It gave the general algorithm and has analyzed the final result of model.
Molecular level water and solute transport in reverse osmosis membranes
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).
Radionuclide Transport Models Under Ambient Conditions
Energy Technology Data Exchange (ETDEWEB)
G. Moridis; Q. Hu
2000-03-12
The purpose of this Analysis/Model Report (AMR) is to evaluate (by means of 2-D semianalytical and 3-D numerical models) the transport of radioactive solutes and colloids in the unsaturated zone (UZ) under ambient conditions from the potential repository horizon to the water table at Yucca Mountain (YM), Nevada. This is in accordance with the ''AMR Development Plan U0060, Radionuclide Transport Models Under Ambient Conditions'' (CRWMS M and O 1999a). This AMR supports the UZ Flow and Transport Process Model Report (PMR). This AMR documents the UZ Radionuclide Transport Model (RTM). This model considers: the transport of radionuclides through fractured tuffs; the effects of changes in the intensity and configuration of fracturing from hydrogeologic unit to unit; colloid transport; physical and retardation processes and the effects of perched water. In this AMR they document the capabilities of the UZ RTM, which can describe flow (saturated and/or unsaturated) and transport, and accounts for (a) advection, (b) molecular diffusion, (c) hydrodynamic dispersion (with full 3-D tensorial representation), (d) kinetic or equilibrium physical and/or chemical sorption (linear, Langmuir, Freundlich or combined), (e) first-order linear chemical reaction, (f) radioactive decay and tracking of daughters, (g) colloid filtration (equilibrium, kinetic or combined), and (h) colloid-assisted solute transport. Simulations of transport of radioactive solutes and colloids (incorporating the processes described above) from the repository horizon to the water table are performed to support model development and support studies for Performance Assessment (PA). The input files for these simulations include transport parameters obtained from other AMRs (i.e., CRWMS M and O 1999d, e, f, g, h; 2000a, b, c, d). When not available, the parameter values used are obtained from the literature. The results of the simulations are used to evaluate the transport of radioactive
A Radiative Transport Model for Blazars
Lewis, Tiffany; Justin, Finke; Becker, Peter A.
2017-01-01
Blazars are observed across the electromagnetic spectrum, often with strong variability throughout. The underlying electron distribution associated with the observed emission is typically not computed from first principles. We start from first-principles to build up a transport model, whose solution is the electron distribution, rather than assuming a convenient functional form. Our analytical transport model considers shock acceleration, adiabatic expansion, stochastic acceleration, Bohm diffusion, and synchrotron radiation. We use this solution to generate predictions for the X-ray spectrum and time lags, and compare the results with data products from BeppoSAX observations of X-ray flares from Mrk 421. This new self-consistent model provides an unprecedented view into the jet physics at play in this source, especially the strength of the shock and stochastic acceleration components and the size of the acceleration region.More recently, we augmented the transport model to incorporate Compton scattering, including Klein-Nishina effects. In this case, an analytical solution cannot be derived, and therefore we obtain the steady-state electron distribution computationally. We compare the resulting radiation spectrum with multi-wavelength data for 3C 279. We show that our new Compton + synchrotron blazar model is the first to successfully fit the FermiLAT gamma-ray data for this source based on a first-principles physical calculation.
SIMULATION OF SOLUTE TRANSPORT IN A PARALLEL SINGLE FRACTURE WITH LBM/MMP MIXED METHOD
Institute of Scientific and Technical Information of China (English)
TAN Ye-fei; ZHOU Zhi-fang
2008-01-01
This article deals with the solute transport in a single fracture with the combination of the Lattice Boltzmann Method (LBM) and Modified Moment Propagation (MMP) method, and this mixed method is proved to have several advantages over the LBM and Moment Propagation (MP) mixed method which leads to negative concentrations under some conditions in computation. The disadvantage of LBM/MP has been overcome to a certain extent. Also, this work presents an LBM solution of modeling single fractures with uniformly or randomly distributed grains, which can provide a new path of applying the LBM in solute transport simulation in fractures.
SOFTWARE SOLUTIONS FOR ARDL MODELS
Directory of Open Access Journals (Sweden)
Nicolae-Marius JULA
2015-07-01
Full Text Available VAR type models can be used only for stationary time series. Causality analyses through econometric models need that series to have the same integrated order. Usually, when constraining the series to comply these restrictions (e.g. by differentiating, economic interpretation of the outcomes may become difficult. Recent solution for mitigating these problems is the use of ARDL (autoregressive distributed lag models. We present implementation in E-Views of these models and we test the impact of exchange rate on consumer price index.
CFEST Coupled Flow, Energy & Solute Transport Version CFEST005 Theory Guide
Energy Technology Data Exchange (ETDEWEB)
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.
Win-Win transportation solutions price reforms with multiple benefits
Energy Technology Data Exchange (ETDEWEB)
Litman, T. [Victoria Transport Policy Institute, BC (Canada)
2001-07-01
Reform strategies in the transportation market, such as the Win-Win Transportation Solutions, can provide several economic, social and environmental benefits. The strategies are cost effective, technically feasible reforms based on market principles which help create a more equitable and efficient transportation system that supports sustainable economic development. The benefits they provide include reduced traffic congestion, road and parking facility savings, consumer savings, equity, safety and environmental protection. They also increase economic productivity. If fully implemented, they could reduce motor vehicle impacts by 15 to 30 per cent and could help achieve the Kyoto emission reduction targets. Examples of Win-Win strategies at the federal level include: (1) removal of subsidies to oil production and internalized costs, and (2) tax exempt employer provided transfer benefits. Examples of Win-Win strategies at the state/provincial level include: (1) distance-based vehicle insurance and registration fees, (2) least-coast transportation planning and funding, (3) revenue-neutral tax shifting, (4) road pricing, (5) reform motor carrier regulations for competition and efficiency, (6) local and regional transportation demand management programs, (7) more efficient land use, (8) more flexible zoning requirements, (9) parking cash out, (10) transportation management associations, (11) location-efficient housing and mortgages, (12) school and campus trip management, (13) car sharing, (14) non-motorized transport improvements, and (15) traffic calming. It was noted that any market reform that leads to more efficient use of existing transportation systems can provide better economic development benefits. 9 refs., 1 tab., 1 fig.
Transport properties site descriptive model. Guidelines for evaluation and modelling
Energy Technology Data Exchange (ETDEWEB)
Berglund, Sten [WSP Environmental, Stockholm (Sweden); Selroos, Jan-Olof [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden)
2004-04-01
modelling of transport properties, and hence the guidelines in this report, involve two main categories of parameters: Parameters that characterise the retention properties of geologic materials. These parameters quantify the diffusion and sorption properties of intact and altered rock, fracture coatings and fracture-filling materials, and are described within the framework of the 3D geometric models devised by Geology. Parameters that characterise solute transport along flow paths (flow-related transport parameters). These parameters include the 'F-parameter' and 'water travel time', tw, and parameters that account for spatial variability in diffusion and sorption. The flow-related parameters are obtained by means of particle tracking simulations in groundwater flow models.
Vanzo, Davide; Siviglia, Annunziato; Toro, Eleuterio F.
2016-09-01
The purpose of this paper is twofold. First, using the Cattaneo's relaxation approach, we reformulate the system of governing equations for the pollutant transport by shallow water flows over non-flat topography and anisotropic diffusion as hyperbolic balance laws with stiff source terms. The proposed relaxation system circumvents the infinite wave speed paradox which is inherent in standard advection-diffusion models. This turns out to give a larger stability range for the choice of the time step. Second, following a flux splitting approach, we derive a novel numerical method to discretise the resulting problem. In particular, we propose a new flux splitting and study the associated two systems of differential equations, called the "hydrodynamic" and the "relaxed diffusive" system, respectively. For the presented splitting we analyse the resulting two systems of differential equations and propose two discretisation schemes of the Godunov-type. These schemes are simple to implement, robust, accurate and fast when compared with existing methods. The resulting method is implemented on unstructured meshes and is systematically assessed for accuracy, robustness and efficiency on a carefully selected suite of test problems including non-flat topography and wetting and drying problems. Formal second order accuracy is assessed through convergence rates studies.
Yang, Jianwen
2012-04-01
A general analytical solution is derived by using the Laplace transformation to describe transient reactive silica transport in a conceptualized 2-D system involving a set of parallel fractures embedded in an impermeable host rock matrix, taking into account of hydrodynamic dispersion and advection of silica transport along the fractures, molecular diffusion from each fracture to the intervening rock matrix, and dissolution of quartz. A special analytical solution is also developed by ignoring the longitudinal hydrodynamic dispersion term but remaining other conditions the same. The general and special solutions are in the form of a double infinite integral and a single infinite integral, respectively, and can be evaluated using Gauss-Legendre quadrature technique. A simple criterion is developed to determine under what conditions the general analytical solution can be approximated by the special analytical solution. It is proved analytically that the general solution always lags behind the special solution, unless a dimensionless parameter is less than a critical value. Several illustrative calculations are undertaken to demonstrate the effect of fracture spacing, fracture aperture and fluid flow rate on silica transport. The analytical solutions developed here can serve as a benchmark to validate numerical models that simulate reactive mass transport in fractured porous media.
Delft Mass Transport model DMT-2
Ditmar, Pavel; Hashemi Farahani, Hassan; Inacio, Pedro; Klees, Roland; Zhao, Qile; Guo, Jing; Liu, Xianglin; Sun, Yu; Riva, Ricardo; Ran, Jiangjun
2013-04-01
Gravity Recovery And Climate Experiment (GRACE) satellite mission has enormously extended our knowledge of the Earth's system by allowing natural mass transport of various origin to be quantified. This concerns, in particular, the depletion and replenishment of continental water stocks; shrinking of polar ice sheets; deformation of the Earth's crust triggered by large earthquakes, and isostatic adjustment processes. A number of research centers compute models of temporal gravity field variations and mass transport, using GRACE data as input. One of such models - Delft Mass Transport model - is being produced at the Delft University of Technology in collaboration with the GNSS Research Center of Wuhan University. A new release of this model, DMT-2, has been produced on the basis of a new (second) release of GRACE level-1b data. This model consists of a time-series of monthly solutions spanning a time interval of more than 8 years, starting from Feb. 2003. Each solution consists of spherical harmonic coefficients up to degree 120. Both unconstrained and optimally filtered solutions are obtained. The most essential improvements of the DMT-2 model, as compared to its predecessors (DMT-1 and DMT-1b), are as follows: (i) improved estimation and elimination of low-frequency noise in GRACE data, so that strong mass transport signals are not damped; (ii) computation of accurate stochastic models of data noise for each month individually with a subsequent application of frequency-dependent data weighting, which allows statistically optimal solutions to be compiled even if data noise is colored and gradually changes in time; (iii) optimized estimation of accelerometer calibration parameters; (iv) incorporation of degree 1 coefficients estimated with independent techniques; (v) usage of state-of-the-art background models to de-alias GRACE data from rapid mass transport signals (this includes the EOT11a model of ocean tides and the latest release of the AOD1B product describing
Urinary solute transport by ileal segments. I. Effects of nicotinic acid.
Martínez-Piñeiro, L; Mateos, F; Montero, A; Madero, R; Martínez-Piñeiro, J A
1993-12-01
This study was conducted to quantify urinary solute transport by the ileum, using an in vivo human model, and to determine the effect of nicotinic acid on this process. Patients were studied under both basal conditions and niacin therapy. The rates of solute transport were established by analysis of excretion indexes for each solute. Potassium and ammonium were absorbed by the ileum, while phosphorus, sodium and bicarbonate were secreted. The percentage excretion index of sodium and bicarbonate increased by approximately 100 and 600% respectively, causing a significant rise in urinary pH. Although not statistically significant, there was a tendency for chloride to be absorbed and for water to pass into the bowel lumen. Nicotinic acid 3 g/day had no significant effect on urinary solute transport.
Modelling of Transport Projects Uncertainties
DEFF Research Database (Denmark)
Salling, Kim Bang; Leleur, Steen
2009-01-01
This paper proposes a new way of handling the uncertainties present in transport decision making based on infrastructure appraisals. The paper suggests to combine the principle of Optimism Bias, which depicts the historical tendency of overestimating transport related benefits and underestimating...... investment costs, with a quantitative risk analysis based on Monte Carlo simulation and to make use of a set of exploratory scenarios. The analysis is carried out by using the CBA-DK model representing the Danish standard approach to socio-economic cost-benefit analysis. Specifically, the paper proposes......-based graphs which function as risk-related decision support for the appraised transport infrastructure project....
Next Generation Transport Phenomenology Model
Strickland, Douglas J.; Knight, Harold; Evans, J. Scott
2004-01-01
This report describes the progress made in Quarter 3 of Contract Year 3 on the development of Aeronomy Phenomenology Modeling Tool (APMT), an open-source, component-based, client-server architecture for distributed modeling, analysis, and simulation activities focused on electron and photon transport for general atmospheres. In the past quarter, column emission rate computations were implemented in Java, preexisting Fortran programs for computing synthetic spectra were embedded into APMT through Java wrappers, and work began on a web-based user interface for setting input parameters and running the photoelectron and auroral electron transport models.
Analytical solutions of a fractional diffusion-advection equation for solar cosmic-ray transport
Energy Technology Data Exchange (ETDEWEB)
Litvinenko, Yuri E.; Effenberger, Frederic, E-mail: yuril@waikato.ac.nz [Department of Mathematics, University of Waikato, P.B. 3105 Hamilton (New Zealand)
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.
Transport processes in space physics and astrophysics problems and solutions
Dosch, Alexander
2016-01-01
This is the problems and solution manual for the graduate text with the same title and published as Lecture Notes in Physics Vol 877 which provides the necessary mathematical and physics background to understand the transport of gases, charged particle gases, energetic charged particles, turbulence, and radiation in an astrophysical and space physics context. The very detailed and self-contained problems and solutions will be an essential part of the training of any graduate student wishing to enter and pursuing research in this field. .
Experimental Study of Preferential Solute Transportation During Dump Leaching
Institute of Scientific and Technical Information of China (English)
YIN Sheng-hua; WU Ai-xiang
2006-01-01
The production of dump leaching of the Dexing Copper Mine was affected by a preferential solution flow. Formative mechanism of the preferential solution flow was investigated by analyzing the relationship between both dump permeability and surface tension and ore diameter. The preferential solution flow occurred in the fine ore area when the application rate was low. The preferential solution flow entered into the coarse ore area because the negative pore water pressure disappeared with an increase of the application rate. The preferential solute transportation experiment was conducted by selecting NaCl as mineral. Results of the experiment showed that the concentration of the outflow solution reduced over time. The concentration of the coarse ore area outflow solution was greater than that of the fine ore area. The process of NaCl leaching can be divided into two stages. NaCl was carried out directly by diffusion-convection during the first stage, so the leaching rate increased sharply. But in the second stage, only a small amount of NaCl dissolved in the immobile water. The leaching rate increased slowly because NaCl, dissolved in the immobile water, can only be leached by diffusion.
Intercomparison of 3D pore-scale flow and solute transport simulation methods
Yang, Xiaofan; Mehmani, Yashar; Perkins, William A.; Pasquali, Andrea; Schönherr, Martin; Kim, Kyungjoo; Perego, Mauro; Parks, Michael L.; Trask, Nathaniel; Balhoff, Matthew T.; Richmond, Marshall C.; Geier, Martin; Krafczyk, Manfred; Luo, Li-Shi; Tartakovsky, Alexandre M.; Scheibe, Timothy D.
2016-09-01
Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include 1) methods that explicitly model the three-dimensional geometry of pore spaces and 2) methods that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of the first type, using computational fluid dynamics (CFD) codes employing a standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of the first type based on the lattice Boltzmann method (LBM) and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (FVM-based CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and (for capable codes) nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The intercomparison work was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This study provides support for confidence
Runkel, Robert L.
2010-01-01
OTEQ is a mathematical simulation model used to characterize the fate and transport of waterborne solutes in streams and rivers. The model is formed by coupling a solute transport model with a chemical equilibrium submodel. The solute transport model is based on OTIS, a model that considers the physical processes of advection, dispersion, lateral inflow, and transient storage. The equilibrium submodel is based on MINTEQ, a model that considers the speciation and complexation of aqueous species, acid-base reactions, precipitation/dissolution, and sorption. Within OTEQ, reactions in the water column may result in the formation of solid phases (precipitates and sorbed species) that are subject to downstream transport and settling processes. Solid phases on the streambed may also interact with the water column through dissolution and sorption/desorption reactions. Consideration of both mobile (waterborne) and immobile (streambed) solid phases requires a unique set of governing differential equations and solution techniques that are developed herein. The partial differential equations describing physical transport and the algebraic equations describing chemical equilibria are coupled using the sequential iteration approach. The model's ability to simulate pH, precipitation/dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between instream chemistry and hydrologic transport at the field scale. This report details the development and application of OTEQ. Sections of the report describe model theory, input/output specifications, model applications, and installation instructions. OTEQ may be obtained over the Internet at http://water.usgs.gov/software/OTEQ.
Joekar-Niasar, V.
2013-01-25
Upscaling electroosmosis in porous media is a challenge due to the complexity and scale-dependent nonlinearities of this coupled phenomenon. "Pore-network modeling" for upscaling electroosmosis from pore scale to Darcy scale can be considered as a promising approach. However, this method requires analytical solutions for flow and transport at pore scale. This study concentrates on the development of analytical solutions of flow and transport in a single rectangular channel under combined effects of electrohydrodynamic forces. These relations will be used in future works for pore-network modeling. The analytical solutions are valid for all regimes of overlapping electrical double layers and have the potential to be extended to nonlinear Boltzmann distribution. The innovative aspects of this study are (a) contribution of overlapping of electrical double layers to the Stokes flow as well as Nernst-Planck transport has been carefully included in the analytical solutions. (b) All important transport mechanisms including advection, diffusion, and electromigration have been included in the analytical solutions. (c) Fully algebraic relations developed in this study can be easily employed to upscale electroosmosis to Darcy scale using pore-network modeling. © 2013 Springer Science+Business Media Dordrecht.
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
Mathematical modeling of kidney transport.
Layton, Anita T
2013-01-01
In addition to metabolic waste and toxin excretion, the kidney also plays an indispensable role in regulating the balance of water, electrolytes, nitrogen, and acid-base. In this review, we describe representative mathematical models that have been developed to better understand kidney physiology and pathophysiology, including the regulation of glomerular filtration, the regulation of renal blood flow by means of the tubuloglomerular feedback mechanisms and of the myogenic mechanism, the urine concentrating mechanism, epithelial transport, and regulation of renal oxygen transport. We discuss the extent to which these modeling efforts have expanded our understanding of renal function in both health and disease.
Comparison of approaches for predicting solute transport: sandbox experiments.
Illman, Walter A; Berg, Steven J; Yeh, Tian-Chyi Jim
2012-01-01
The main purpose of this paper was to compare three approaches for predicting solute transport. The approaches include: (1) an effective parameter/macrodispersion approach (Gelhar and Axness 1983); (2) a heterogeneous approach using ordinary kriging based on core samples; and (3) a heterogeneous approach based on hydraulic tomography. We conducted our comparison in a heterogeneous sandbox aquifer. The aquifer was first characterized by taking 48 core samples to obtain local-scale hydraulic conductivity (K). The spatial statistics of these K values were then used to calculate the effective parameters. These K values and their statistics were also used for kriging to obtain a heterogeneous K field. In parallel, we performed a hydraulic tomography survey using hydraulic tests conducted in a dipole fashion with the drawdown data analyzed using the sequential successive linear estimator code (Yeh and Liu 2000) to obtain a K distribution (or K tomogram). The effective parameters and the heterogeneous K fields from kriging and hydraulic tomography were used in forward simulations of a dipole conservative tracer test. The simulated and observed breakthrough curves and their temporal moments were compared. Results show an improvement in predictions of drawdown behavior and tracer transport when the K tomogram from hydraulic tomography was used. This suggests that the high-resolution prediction of solute transport is possible without collecting a large number of small-scale samples to estimate flow and transport properties that are costly to obtain at the field scale.
Symposium on unsaturated flow and transport modeling
Energy Technology Data Exchange (ETDEWEB)
Arnold, E.M.; Gee, G.W.; Nelson, R.W. (eds.)
1982-09-01
This document records the proceedings of a symposium on flow and transport processes in partially saturated groundwater systems, conducted at the Battelle Seattle Research Center on March 22-24, 1982. The symposium was sponsored by the US Nuclear Regulatory Commission for the purpose of assessing the state-of-the-art of flow and transport modeling for use in licensing low-level nuclear waste repositories in partially saturated zones. The first day of the symposium centered around research in flow through partially saturated systems. Papers were presented with the opportunity for questions following each presentation. In addition, after all the talks, a formal panel discussion was held during which written questions were addressed to the panel of the days speakers. The second day of the Symposium was devoted to solute and contaminant transport in partially saturated media in an identical format. Individual papers are abstracted.
Model prodrugs for the intestinal oligopeptide transporter
DEFF Research Database (Denmark)
Nielsen, C U; Andersen, R; Brodin, Birger
2001-01-01
(sigma*) may influence the acid, water or base catalyzed model drug release rates, when released from series of D-Glu-Ala and D-Asp-Ala pro-moieties. Release rates were investigated in both aqueous solutions with varying pH, ionic strength, and buffer concentrations as well as in in vitro biological...... as Taft (sigma*) values, has a significant influence on the release rate of the model drug.......The human intestinal di/tri-peptide carrier, hPepT1, has been suggested as a target for increasing intestinal transport of low permeability compounds by creating prodrugs designed for the transporter. Model ester prodrugs using the stabilized dipeptides D-Glu-Ala and D-Asp-Ala as pro...
LABORATORY EXPERIMENTS ON SOLUTE TRANSPORT IN A PARTIAL TRANSFIXION SINGLE FRACTURE
Institute of Scientific and Technical Information of China (English)
CAI Jin-long; ZHOU Zhi-fang; HUANG Yong
2011-01-01
In the study of solute transport in rough single fracture,the contact area is an important factor.The single fracture is defined as two categories in this article:the full transfixion single freeture and the partial transfixion single fracture.The purpose of this article is to research how the contact area affects the solute transport in partial transfixion single fracture.The contact area is generalized as square blocks with three sizes,and contact rate is variable,a series of experiments for solute transport were conducted in a simulation model which can simulate the two types of fractures in the laboratory.Based on the analysis of the breakthrough curves and the experiment phenomena,it is concluded that the difference of breakthrough curves of various contact rates is evident and increases with the increase of contact rate,the relative error curves reflect the difference of block sizes,and the maximum errors increase from smaller than 0.2 to about 0.8 with the increase of contact rate.These phenomena are also explained qualitatively in this article.It is concluded that the contact area strongly affects solute transport,and the research of channels formed by contact area is useful to further understand the rule of solute transport in partial transfixion single fracture.
Brine transport in porous media self-similar solutions
C.J. van Duijn (Hans); L.A. Peletier (Bert); R.J. Schotting
1996-01-01
textabstractIn this paper we analyze a model for brine transport in porous media, which includes a mass balance for the fluid, a mass balance for salt, Darcy's law and an equation of state, which relates the fluid density to the salt mass fraction. This model incorporates the effect of local volume
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 ...
Association between arterial stiffness and peritoneal small solute transport rate.
Zhe, Xing-wei; Tian, Xin-kui; Chen, Wei; Guo, Li-juan; Gu, Yue; Chen, Hui-min; Tang, Li-jun; Wang, Tao
2008-05-01
While cardiovascular disease accounts for 40-50% of the mortality in dialysis patients, and while a high peritoneal transport in continuous ambulatory peritoneal dialysis (CAPD) is an independent predictor of outcome, it is unclear if there are any links. Aortic stiffness has become established as a cardiovascular risk factor. We thus studied pulse wave velocity (PWV) in CAPD patients to explore the possible link between peritoneal small solute transport and aortic stiffness. CAPD patients (n = 76, 27 M/49 F) in our center were included in the present study. Aortic stiffness was assessed by brachial pulse pressure (PP) and carotid-femoral PWV. Patients' peritoneal small solute transport rate was assessed by D/P(cr) at 4 h. Extracellular water over total body water (E/T ratio) was assessed by means of bioimpedance analysis. C-reactive protein was also measured. Carotid-femoral PWV was positively associated with patients' age (r = 0.555; P < 0.01), time on peritoneal dialysis (r = 0.332; P < 0.01), diabetic status (r = 0.319; P < 0.01), D/P(cr) (r = 0.241; P < 0.05), PP (r = 0.475; P < 0.01), and E/T (r = 0.606; P < 0.01). In a multivariate regression analysis, carotid-femoral PWV was independently determined by E/T (P < 0.01), PP (P < 0.01), age (P < 0.01), and D/P(cr) (P < 0.05). D/P(cr), in addition to E/T, age, and PP, was an independent predictor of elevated carotid-femoral PWV in CAPD patients, suggesting that there might be a link between high aortic stiffness and increased peritoneal small solute transport rate.
Singha, Kamini; Li, Li; Day-Lewis, Frederick D.; Regberg, Aaron B.
2012-01-01
The concept of a nonreactive or conservative tracer, commonly invoked in investigations of solute transport, requires additional study in the context of electrical geophysical monitoring. Tracers that are commonly considered conservative may undergo reactive processes, such as ion exchange, thus changing the aqueous composition of the system. As a result, the measured electrical conductivity may reflect not only solute transport but also reactive processes. We have evaluated the impacts of ion exchange reactions, rate-limited mass transfer, and surface conduction on quantifying tracer mass, mean arrival time, and temporal variance in laboratory-scale column experiments. Numerical examples showed that (1) ion exchange can lead to resistivity-estimated tracer mass, velocity, and dispersivity that may be inaccurate; (2) mass transfer leads to an overestimate in the mobile tracer mass and an underestimate in velocity when using electrical methods; and (3) surface conductance does not notably affect estimated moments when high-concentration tracers are used, although this phenomenon may be important at low concentrations or in sediments with high and/or spatially variable cation-exchange capacity. In all cases, colocated groundwater concentration measurements are of high importance for interpreting geophysical data with respect to the controlling transport processes of interest.
Modelling of Transport Projects Uncertainties
DEFF Research Database (Denmark)
Salling, Kim Bang; Leleur, Steen
2012-01-01
This paper proposes a new way of handling the uncertainties present in transport decision making based on infrastructure appraisals. The paper suggests to combine the principle of Optimism Bias, which depicts the historical tendency of overestimating transport related benefits and underestimating...... investment costs, with a quantitative risk analysis based on Monte Carlo simulation and to make use of a set of exploratory scenarios. The analysis is carried out by using the CBA-DK model representing the Danish standard approach to socio-economic cost-benefit analysis. Specifically, the paper proposes......-based graphs which functions as risk-related decision support for the appraised transport infrastructure project. The presentation of RSF is demonstrated by using an appraisal case concerning a new airfield in the capital of Greenland, Nuuk....
Kramers, G.; Dam, van J.C.; Ritsema, C.J.; Stagnitti, F.; Oostindie, K.; Dekker, L.W.
2005-01-01
A modified version of the popular agrohydrological model SWAP has been used to evaluate modelling of soil water flow and crop growth at field situations in which water repellency causes preferential flow. The parameter sensitivity in such situations has been studied. Three options to model soil
Numerical study of wave effects on groundwater flow and solute transport in a laboratory beach
Geng, Xiaolong; Boufadel, Michel C.; Xia, Yuqiang; Li, Hailong; Zhao, Lin; Jackson, Nancy L.; Miller, Richard S.
2014-09-01
A numerical study was undertaken to investigate the effects of waves on groundwater flow and associated inland-released solute transport based on tracer experiments in a laboratory beach. The MARUN model was used to simulate the density-dependent groundwater flow and subsurface solute transport in the saturated and unsaturated regions of the beach subjected to waves. The Computational Fluid Dynamics (CFD) software, Fluent, was used to simulate waves, which were the seaward boundary condition for MARUN. A no-wave case was also simulated for comparison. Simulation results matched the observed water table and concentration at numerous locations. The results revealed that waves generated seawater-groundwater circulations in the swash and surf zones of the beach, which induced a large seawater-groundwater exchange across the beach face. In comparison to the no-wave case, waves significantly increased the residence time and spreading of inland-applied solutes in the beach. Waves also altered solute pathways and shifted the solute discharge zone further seaward. Residence Time Maps (RTM) revealed that the wave-induced residence time of the inland-applied solutes was largest near the solute exit zone to the sea. Sensitivity analyses suggested that the change in the permeability in the beach altered solute transport properties in a nonlinear way. Due to the slow movement of solutes in the unsaturated zone, the mass of the solute in the unsaturated zone, which reached up to 10% of the total mass in some cases, constituted a continuous slow release of solutes to the saturated zone of the beach. This means of control was not addressed in prior studies.
A study on iron ore transportation model with penalty value of transportation equipment waiting
Directory of Open Access Journals (Sweden)
Kailing Pan
2017-03-01
Full Text Available As some steel enterprises are at a disadvantage in the choice of the mode of transportation, this paper made further studies of the characteristics of the iron ore logistics, taking comprehensive consideration of optimizing the waiting time under the conditions with limited loading capacity and setting up a procedural model of the iron ore logistics system with minimum cost of transportation, storage, loading, unloading, and transportation equipment waiting. Finally, taking the iron ore transport system of one steel enterprise as example, the solution and the validity of the model were analyzed and verified in this paper.
A Theoretic Model of Transport Logistics Demand
Directory of Open Access Journals (Sweden)
Natalija Jolić
2006-01-01
Full Text Available Concerning transport logistics as relation between transportand integrated approaches to logistics, some transport and logisticsspecialists consider the tenn tautological. However,transport is one of the components of logistics, along with inventories,resources, warehousing, infonnation and goods handling.Transport logistics considers wider commercial and operationalframeworks within which the flow of goods is plannedand managed. The demand for transport logistics services canbe valorised as highly qualitative, differentiated and derived.While researching transport phenomenon the implementationof models is inevitable and demand models highly desirable. Asa contribution to transport modelling this paper improves decisionmaking and planning in the transport logistics field.
Strategic network design of Java Island fuel supply with production-transportation solution
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.
Used Fuel Logistics: Decades of Experience with transportation and Interim storage solutions
Energy Technology Data Exchange (ETDEWEB)
Orban, G.; Shelton, C.
2015-07-01
Used fuel inventories are growing worldwide. While some countries have opted for a closed cycle with recycling, numerous countries must expand their interim storage solutions as implementation of permanent repositories is taking more time than foreseen. In both cases transportation capabilities will have to be developed. AREVA TN has an unparalleled expertise with transportation of used fuel. For more than 50 years AREVA TN has safely shipped more than 7,000 used fuel transport casks. The transportation model that was initially developed in the 1970s has been adapted and enhanced over the years to meet more restrictive regulatory requirements and evolving customer needs, and to address public concerns. The numerous “lessons learned” have offered data and guidance that have allowed for also efficient and consistent improvement over the decades. AREVA TN has also an extensive experience with interim dry storage solutions in many countries on-site but also is working with partners to developed consolidated interim storage facility. Both expertise with storage and transportation contribute to safe, secure and smooth continuity of the operations. This paper will describe decades of experience with a very successful transportation program as well as interim storage solutions. (Author)
A Solution Proposal To Indefinite Quadratic Interval Transportation Problem
Directory of Open Access Journals (Sweden)
Hasan Dalman
2013-12-01
Full Text Available The data of real world applications generally cannot be expressed strictly. An efficient way of handling this situation is expressing the data as intervals. Thus, this paper focus on the Indefinite Quadratic Interval Transportation Problem (IQITP in which all the parameters i.e. cost and risk coefficients of the objective function, supply and demand quantities are expressed as intervals. A Taylor series approach is presented for the solution of IQITP by means of the expression of intervals with its left and right limits. Also a numerical example is executed to illustrate the procedure.
The numerical solution of the vorticity transport equation
Dennis, S C R
1973-01-01
A method of approximating the two-dimensional vorticity transport equation in which the matrix associated with the difference equations is diagonally dominant and the truncation error is the same as that of the fully central-difference approximation, is discussed. An example from boundary layer theory is given by calculating the viscous stagnation point flow at the nose of a cylinder. Some new solutions of the Navier-Stokes equations are obtained for symmetrical flow past a flat plate of finite length. (16 refs).
A Finite-Difference Solution of Solute Transport through a Membrane Bioreactor
Directory of Open Access Journals (Sweden)
B. Godongwana
2015-01-01
Full Text Available The current paper presents a theoretical analysis of the transport of solutes through a fixed-film membrane bioreactor (MBR, immobilised with an active biocatalyst. The dimensionless convection-diffusion equation with variable coefficients was solved analytically and numerically for concentration profiles of the solutes through the MBR. The analytical solution makes use of regular perturbation and accounts for radial convective flow as well as axial diffusion of the substrate species. The Michaelis-Menten (or Monod rate equation was assumed for the sink term, and the perturbation was extended up to second-order. In the analytical solution only the first-order limit of the Michaelis-Menten equation was considered; hence the linearized equation was solved. In the numerical solution, however, this restriction was lifted. The solution of the nonlinear, elliptic, partial differential equation was based on an implicit finite-difference method (FDM. An upwind scheme was employed for numerical stability. The resulting algebraic equations were solved simultaneously using the multivariate Newton-Raphson iteration method. The solution allows for the evaluation of the effect on the concentration profiles of (i the radial and axial convective velocity, (ii the convective mass transfer rates, (iii the reaction rates, (iv the fraction retentate, and (v the aspect ratio.
Modelling of Transport Projects Uncertainties
DEFF Research Database (Denmark)
Salling, Kim Bang; Leleur, Steen
2009-01-01
This paper proposes a new way of handling the uncertainties present in transport decision making based on infrastructure appraisals. The paper suggests to combine the principle of Optimism Bias, which depicts the historical tendency of overestimating transport related benefits and underestimating...... investment costs, with a quantitative risk analysis based on Monte Carlo simulation and to make use of a set of exploratory scenarios. The analysis is carried out by using the CBA-DK model representing the Danish standard approach to socio-economic cost-benefit analysis. Specifically, the paper proposes...... to supplement Optimism Bias and the associated Reference Class Forecasting (RCF) technique with a new technique that makes use of a scenario-grid. We tentatively introduce and refer to this as Reference Scenario Forecasting (RSF). The final RSF output from the CBA-DK model consists of a set of scenario...
Directory of Open Access Journals (Sweden)
Özgür Başkan
2014-09-01
Full Text Available Differential Evolution algorithm has effectively been used to solve engineering optimization problems recently. The Differential Evolution algorithm, which uses similar principles with Genetic Algorithms, is more robust on obtaining optimal solution than many other heuristic algorithms with its simpler structure. In this study, Differential Evolution algorithm is applied to the transportation network design problems and its effectiveness on the solution is investigated. In this context, Differential Evolution based models are developed using bi-level programming approach for the solution of the transportation network design problem and determination of the on-street parking places in urban road networks. In these models, optimal investment and parking strategies are investigated on the upper level. On the lower level, deterministic traffic assignment problem, which represents drivers' responses, is solved using Frank-Wolfe algorithm and VISUM traffic modeling software. In order to determine the effectiveness of the proposed models, numerical applications are carried out on Sioux-Falls test network. Results showed that the Differential Evolution algorithm may effectively been used for the solution of transportation network design problems.
Modeling in transport phenomena a conceptual approach
Tosun, Ismail
2007-01-01
Modeling in Transport Phenomena, Second Edition presents and clearly explains with example problems the basic concepts and their applications to fluid flow, heat transfer, mass transfer, chemical reaction engineering and thermodynamics. A balanced approach is presented between analysis and synthesis, students will understand how to use the solution in engineering analysis. Systematic derivations of the equations and the physical significance of each term are given in detail, for students to easily understand and follow up the material. There is a strong incentive in science and engineering to
Impact of Soil Water Flux on Vadose Zone Solute Transport Parameters
Institute of Scientific and Technical Information of China (English)
无
2000-01-01
The transport processes of solutes in two soil columns filled with undisturbed soil material collected from an unsaturated sandy aquifer formation in Belgium subjected to a variable upper boundary condition were identified from breakthrough curves measured by means of time domain refiectometry (TDR). Solute breakthrough was measured with 3 TDR probes inserted into each soil column at three different depths at a 10 minutes time interval. In addition, soil water content and pressure head were measured at 3 different depths. Analytical solute transport models were used to estimate the solute dispersion coefficient and average pore-water velocity from the observed breakthrough curves. The results showed that the analytical solutions were suitable in fitting the observed solute transport. The dispersion coefficient was found to be a function of the soil depth and average pore-water velocity, imposed by the soil water flux. The mobile moisture content on the other hand was not correlated with the average pore-water velocity and the dispersion coefficient.
Variational multiscale models for charge transport.
Wei, Guo-Wei; Zheng, Qiong; Chen, Zhan; Xia, Kelin
2012-01-01
This work presents a few variational multiscale models for charge transport in complex physical, chemical and biological systems and engineering devices, such as fuel cells, solar cells, battery cells, nanofluidics, transistors and ion channels. An essential ingredient of the present models, introduced in an earlier paper (Bulletin of Mathematical Biology, 72, 1562-1622, 2010), is the use of differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain from the microscopic domain, meanwhile, dynamically couple discrete and continuum descriptions. Our main strategy is to construct the total energy functional of a charge transport system to encompass the polar and nonpolar free energies of solvation, and chemical potential related energy. By using the Euler-Lagrange variation, coupled Laplace-Beltrami and Poisson-Nernst-Planck (LB-PNP) equations are derived. The solution of the LB-PNP equations leads to the minimization of the total free energy, and explicit profiles of electrostatic potential and densities of charge species. To further reduce the computational complexity, the Boltzmann distribution obtained from the Poisson-Boltzmann (PB) equation is utilized to represent the densities of certain charge species so as to avoid the computationally expensive solution of some Nernst-Planck (NP) equations. Consequently, the coupled Laplace-Beltrami and Poisson-Boltzmann-Nernst-Planck (LB-PBNP) equations are proposed for charge transport in heterogeneous systems. A major emphasis of the present formulation is the consistency between equilibrium LB-PB theory and non-equilibrium LB-PNP theory at equilibrium. Another major emphasis is the capability of the reduced LB-PBNP model to fully recover the prediction of the LB-PNP model at non-equilibrium settings. To account for the fluid impact on the charge transport, we derive coupled Laplace-Beltrami, Poisson-Nernst-Planck and Navier-Stokes equations from the variational principle
Control and optimization of solute transport in a thin porous tube
Griffiths, I. M.
2013-03-01
Predicting the distribution of solutes or particles in flows within porous-walled tubes is essential to inform the design of devices that rely on cross-flow filtration, such as those used in water purification, irrigation devices, field-flow fractionation, and hollow-fibre bioreactors for tissue-engineering applications. Motivated by these applications, a radially averaged model for fluid and solute transport in a tube with thin porous walls is derived by developing the classical ideas of Taylor dispersion. The model includes solute diffusion and advection via both radial and axial flow components, and the advection, diffusion, and uptake coefficients in the averaged equation are explicitly derived. The effect of wall permeability, slip, and pressure differentials upon the dispersive solute behaviour are investigated. The model is used to explore the control of solute transport across the membrane walls via the membrane permeability, and a parametric expression for the permeability required to generate a given solute distribution is derived. The theory is applied to the specific example of a hollow-fibre membrane bioreactor, where a uniform delivery of nutrient across the membrane walls to the extra-capillary space is required to promote spatially uniform cell growth. © 2013 American Institute of Physics.
Do, Tuan Minh; Alata, Wael; Dodacki, Agnès; Traversy, Marie-Thérèse; Chacun, Hélène; Pradier, Laurent; Scherrmann, Jean-Michel; Farinotti, Robert; Calon, Frédéric; Bourasset, Fanchon
2014-06-01
We evaluated the integrity and function of the blood-brain barrier in 3xTg-AD mice aged 3-18 months and in APP/PS1 mice aged 8-months to determine the impacts of changes in amyloid and tau proteins on the brain vascular changes. The vascular volume (Vvasc) was sub-normal in 3xTg-AD mice aged from 6 to 18 months, but not in the APP/PS1 mice. The uptakes of [(3)H]-diazepam by the brains of 3xTg-AD, APP/PS1 and their age-matched control mice were similar at all the times studied, suggesting that the simple diffusion of small solutes is unchanged in transgenic animals. The uptake of d-glucose by the brains of 18-month old 3xTg-AD mice, but not by those of 8-month old APP/PS1 mice, was reduced compared to their age-matched controls. Accordingly, the amount of Glut-1 protein was 1.4 times lower in the brain capillaries of 18 month-old 3xTg-AD mice than in those of age-matched control mice. We conclude that the brain vascular volume is reduced early in 3xTg-AD mice, 6 months before the appearance of pathological lesions, and that this reduction persists until they are at least 18 months old. The absence of alterations in the BBB of APP/PS1 mice suggests that hyperphosphorylated tau proteins contribute to the vascular changes that occur in AD.
Directory of Open Access Journals (Sweden)
N.Natarajan
2010-10-01
Full Text Available Modeling of solute transport through fractured rock is an important component of in many disciplines especially groundwater contamination and nuclear waste disposal. Several studies have been conducted on single rock fracture using parallel plate model and recently solute and thermal transport has been numerically modeled in the sinusoidal fracture matrix coupled system. The effect of linear sorption has been studied on the same. Results suggest the high matrix porosity and matrix diffusion coefficient enhance the sorption process and reduce the matrix diffusion of solutes. The velocity of the fluid reduces with increment in fracture aperture.
Water flow and solute transport in floating fen root mats
Stofberg, Sija F.; EATM van der Zee, Sjoerd
2015-04-01
be very similar and likely functionally related. Our experimental field data were used for modelling water flow and solute transport in floating fens, using HYDRUS 2D. Fluctuations of surface water and root mat, as well as geometry and unsaturated zone parameters can have a major influence on groundwater fluctuations and the exchange between rain and surface water and the water in the root mats. In combination with the duration of salt pulses in surface water, and sensitivity of fen plants to salinity (Stofberg et al. 2014, submitted), risks for rare plants can be anticipated.
Solute Transport in a Heterogeneous Aquifer: A Nonlinear Deterministic Dynamical Analysis
Sivakumar, B.; Harter, T.; Zhang, H.
2003-04-01
Stochastic approaches are widely used for modeling and prediction of uncertainty in groundwater flow and transport processes. An important reason for this is our belief that the dynamics of the seemingly complex and highly irregular subsurface processes are essentially random in nature. However, the discovery of nonlinear deterministic dynamical theory has revealed that random-looking behavior could also be the result of simple deterministic mechanisms influenced by only a few nonlinear interdependent variables. The purpose of the present study is to introduce this theory to subsurface solute transport process, in an attempt to investigate the possibility of understanding the transport dynamics in a much simpler, deterministic, manner. To this effect, salt transport process in a heterogeneous aquifer medium is studied. Specifically, time series of arrival time of salt particles are analyzed. These time series are obtained by integrating a geostatistical (transition probability/Markov chain) model with a groundwater flow model (MODFLOW) and a salt transport (Random Walk Particle) model. The (dynamical) behavior of the transport process (nonlinear deterministic or stochastic) is identified using standard statistical techniques (e.g. autocorrelation function, power spectrum) as well as specific nonlinear deterministic dynamical techniques (e.g. phase-space diagram, correlation dimension method). The sensitivity of the salt transport dynamical behavior to the hydrostratigraphic parameters (i.e. number, volume proportions, mean lengths, and juxtapositional tendencies of facies) used in the transition probability/Markov chain model is also studied. The results indicate that the salt transport process may exhibit very simple (i.e. deterministic) to very complex (i.e. stochastic) dynamical behavior, depending upon the above parameters (i.e. characteristics of the aquifer medium). Efforts towards verification and strengthening of the present results and prediction of salt
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.
Modeling Solute Reactivity in a Phreatic Solution Conduit Penetrating a Karst Aquifer
Field, M.
2014-12-01
A two-dimensional model for solute migration, transformation, and sorption in a phreatic solution conduit penetrating a karst aquifer is presented in which the solute is anthropogenic to the natural system. Transformation of a reacting solute in a solution conduit has generally been accepted as likely occurring but actual physical measurements and mathematical analyses of the suspected process are lacking, primarily because of the logistics of sample collection and the complexities associated with solute transport through solution conduits. The model demonstrates how a reacting solute might be converted to a product solute some of which then diffuses to the solution conduit wall where it may become adsorbed. Model effects vary for laminar flow and turbulent flow in the axial direction. Laminar and turbulent diffusion in the radial direction also exhibits marked differences. In addition to single reaction zones simulations considered multiple adjacent and nonadjacent reaction zones, both with varying reaction rates. Reaction zones were found to enhance subsequent reactions due to some overlap resulting from the hydrodynamic dispersion caused by the axial flow. The simulations showed that varying the reaction rate coefficient strongly affects solute reactions, but that varying deposition coefficients had only minimal impacts. Application of the model to a tracer test that used the tracer dye, Rhodamine WT which readily converts to deaminoalkylated Rhodamine WT after release, illustrates how the model may be used to suggest a possible cause for less than 100% tracer mass recovery. In terms of pollutants in a karst aquifer the model suggests a possible explanation for pollutant transformation in a solution conduit.
TURBULENCE TRANSPORT OF SURFACTANT SOLUTION FLOW DURING DRAG REDUCTION DEGENERATION
Institute of Scientific and Technical Information of China (English)
GU Wei-guo; WANG De-zhong
2012-01-01
Turbulence transport of surfactant solution flow during drag reduction degeneration is investigated experimentally in a two-dimensional channel.Particle Image Velocimetry (P1V) system is used to take two-dimensional velocity frames in the streamwise and wall-normal plane.The additive of surfactant is cetyltrimethyl ammonium chloride (CTAC) with the mass concentration of 25 ppm.Drag reduction degeneration happens in the CTAC solution flow,exhibiting the maximal drag reduction at Re =25000and losing drag reduction completely at Re =40 000.The velocity frames are statistically analyzed in four quadrants which are divided by the u -axis and v-axis.It is found that the phenomenon of“Zero Reynolds shear stress” is caused by the decrease of wallnormal fluctuations and its symmetrical distribution in quadrants.The increase of Reynolds number leads to the enhancement of turbulence burst phenomenon.During thc drag reduction degeneration,the CTAC solution flow contains both high turbulence intensity and drag reduction states.
Energy Technology Data Exchange (ETDEWEB)
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.
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.
Santos, Juliana; Künne, Annika; Kralisch, Sven; Fink, Manfred; Brenning, Alexander
2016-04-01
The Muriaé River basin in SE Brazil has been experiencing an increasing pressure on water resources, due to the population growth of the Rio de Janeiro urban area connected with the growth of the industrial and agricultural sector. This leads to water scarcity, riverine forest degradation, soil erosion and water quality problems among other impacts. Additionally the region has been suffering with seasonal precipitation variations leading to extreme events such as droughts, floods and landslides. Climate projections for the near future indicate a high inter-annual variability of rainfall with an increase in the frequency and intensity of heavy rainfall events combined with a statistically significant increase in the duration of dry periods and a reduced duration of wet periods. This may lead to increased soil erosion during the wet season, while the longer dry periods may reduce the vegetation cover, leaving the soil even more exposed and vulnerable to soil erosion. In consequence, it is crucial to understand how climate affects the interaction between the timing of extreme rainfall events, hydrological processes, vegetation growth, soil cover and soil erosion. In this context, physically-based hydrological modelling can contribute to a better understanding of spatial-temporal process dynamics in the Earth's system and support Integrated Water Resourses Management (IWRM) and adaptation strategies. The study area is the Muriaé river basin which has an area of approx. 8000 km² in Minas Gerais and Rio de Janeiro States. The basin is representative of a region of domain of hillslopes areas with the predominancy of pasture for livestock production. This study will present some of the relevant analyses which have been carried out on data (climate and streamflow) prior to using them for hydrological modelling, including consistency checks, homogeneity, pattern and statistical analyses, or annual and seasonal trends detection. Several inconsistencies on the raw data were
Wang, Yahui; Yan, Liming; Ma, Yu
2017-06-01
Applications of the transient Boltzmann transport equation (BTE) have undergone much investigation, such as radiative heat transfer and neutron transport. This paper provides a lattice Boltzmann model to efficiently resolve the multidimensional transient BTE. For a higher angular resolution, enough transport directions are considered while the transient BTE in each direction is treated as a conservation law equation and solved independently. Both macroscopic equations recovered from a Chapman-Enskog expansion and simulated results of typical benchmark problems show not only the second-order accuracy but also the flexibility and applicability of the proposed lattice Boltzmann model. This approach may contribute a powerful technique for the parallel simulation of large-scale engineering and some alternative perspectives for solving the nonlinear transport problem further.
DEFF Research Database (Denmark)
Rolle, Massimo; Kitanidis, Peter
Compound-specific diffusivities significantly impact solute transport and mixing at different scales. Although diffusive processes occur at the small pore scale, their effects propagate and remain important at larger macroscopic scales [1]. In this pore-scale modeling study in saturated porous...... media we show that compound-specific effects are important not only at steady-state and for the lateral displacement of solutes with different diffusivities but also for transient transport and solute breakthrough [2]. We performed flow and transport simulations in two-dimensional pore-scale domains...... significant effects of aqueous diffusion on solute breakthrough curves. However, the magnitude of such effects can be masked by the flux-averaging approach used to measure solute breakthrough and can hinder the correct interpretation of the true dilution of different solutes. We propose, as a metric of mixing...
Modelling of radon transport in porous media
van der Graaf, E.R.; de Meijer, R.J.; Katase, A; Shimo, M
1998-01-01
This paper aims to describe the state of the art of modelling radon transport in soil on basis of multiphase radon transport equations. Emphasis is given to methods to obtain a consistent set of input parameters needed For such models. Model-measurement comparisons with the KVI radon transport Facil
Modelling of radon transport in porous media
van der Graaf, E.R.; de Meijer, R.J.; Katase, A; Shimo, M
1998-01-01
This paper aims to describe the state of the art of modelling radon transport in soil on basis of multiphase radon transport equations. Emphasis is given to methods to obtain a consistent set of input parameters needed For such models. Model-measurement comparisons with the KVI radon transport Facil
DEFF Research Database (Denmark)
Larsen, Erik Hviid; Møbjerg, N.; Sørensen, J. N.
2006-01-01
Aim: By mathematical modelling, we analyse conditions for near-isotonic and isotonic transport by mammalian kidney proximal tubule. Methods: The model comprises compliant lateral intercellular space (lis) and cells, and infinitely large luminal and peritubular compartments with diffusible species......: Na+, K+, Cl- and an intracellular non-diffusible anion. Unknown model variables are solute concentrations, electrical potentials, volumes and hydrostatic pressures in cell and lis, and transepithelial potential. We used data mainly from rat proximal tubule to model epithelial cells and interspace...... transport similar to rat proximal tubule. Na+ recirculation is required for truly isotonic transport. The tonicity of the absorbate and the recirculation flux depend critically on ion permeabilities of interspace basement membrane. Conclusion: Our model based on solute-solvent coupling in lateral space...
DEFF Research Database (Denmark)
Larsen, E.H.; Møbjerg, N.; Sørensen, Jens Nørkær
2006-01-01
Aim: By mathematical modelling, we analyse conditions for near-isotonic and isotonic transport by mammalian kidney proximal tubule. Methods: The model comprises compliant lateral intercellular space (lis) and cells, and infinitely large luminal and peritubular compartments with diffusible species......: Na+, K+, Cl and an intracellular non-diffusible anion. Unknown model variables are solute concentrations, electrical potentials, volumes and hydrostatic pressures in cell and lis, and transepithelial potential. We used data mainly from rat proximal tubule to model epithelial cells and interspace...... transport similar to rat proximal tubule. Na+ recirculation is required for truly isotonic transport. The tonicity of the absorbate and the recirculation flux depend critically on ion permeabilities of interspace basement membrane. Conclusion: Our model based on solute-solvent coupling in lateral space...
Transport Properties for Combustion Modeling
Energy Technology Data Exchange (ETDEWEB)
Brown, N.J.; Bastein, L.; Price, P.N.
2010-02-19
This review examines current approximations and approaches that underlie the evaluation of transport properties for combustion modeling applications. Discussed in the review are: the intermolecular potential and its descriptive molecular parameters; various approaches to evaluating collision integrals; supporting data required for the evaluation of transport properties; commonly used computer programs for predicting transport properties; the quality of experimental measurements and their importance for validating or rejecting approximations to property estimation; the interpretation of corresponding states; combination rules that yield pair molecular potential parameters for unlike species from like species parameters; and mixture approximations. The insensitivity of transport properties to intermolecular forces is noted, especially the non-uniqueness of the supporting potential parameters. Viscosity experiments of pure substances and binary mixtures measured post 1970 are used to evaluate a number of approximations; the intermediate temperature range 1 < T* < 10, where T* is kT/{var_epsilon}, is emphasized since this is where rich data sets are available. When suitable potential parameters are used, errors in transport property predictions for pure substances and binary mixtures are less than 5 %, when they are calculated using the approaches of Kee et al.; Mason, Kestin, and Uribe; Paul and Warnatz; or Ern and Giovangigli. Recommendations stemming from the review include (1) revisiting the supporting data required by the various computational approaches, and updating the data sets with accurate potential parameters, dipole moments, and polarizabilities; (2) characterizing the range of parameter space over which the fit to experimental data is good, rather than the current practice of reporting only the parameter set that best fits the data; (3) looking for improved combining rules, since existing rules were found to under-predict the viscosity in most cases; (4
The adjoint neutron transport equation and the statistical approach for its solution
Saracco, Paolo; Ravetto, Piero
2016-01-01
The adjoint equation was introduced in the early days of neutron transport and its solution, the neutron importance, has ben used for several applications in neutronics. The work presents at first a critical review of the adjoint neutron transport equation. Afterwards, the adjont model is constructed for a reference physical situation, for which an analytical approach is viable, i.e. an infinite homogeneous scattering medium. This problem leads to an equation that is the adjoint of the slowing-down equation that is well-known in nuclear reactor physics. A general closed-form analytical solution to such adjoint equation is obtained by a procedure that can be used also to derive the classical Placzek functions. This solution constitutes a benchmark for any statistical or numerical approach to the adjoint equation. A sampling technique to evaluate the adjoint flux for the transport equation is then proposed and physically interpreted as a transport model for pseudo-particles. This can be done by introducing appr...
Stochastic approach to the numerical solution of the non-stationary Parker's transport equation
Wawrzynczak, A.; Modzelewska, R.; Gil, A.
2015-01-01
We present the newly developed stochastic model of the galactic cosmic ray (GCR) particles transport in the heliosphere. Mathematically Parker transport equation (PTE) describing non-stationary transport of charged particles in the turbulent medium is the Fokker-Planck type. It is the second order parabolic time-dependent 4-dimensional (3 spatial coordinates and particles energy/rigidity) partial differential equation. It is worth to mention that, if we assume the stationary case it remains as the 3-D parabolic type problem with respect to the particles rigidity R. If we fix the energy/rigidity it still remains as the 3-D parabolic type problem with respect to time. The proposed method of numerical solution is based on the solution of the system of stochastic differential equations (SDEs) being equivalent to the Parker's transport equation. We present the method of deriving from PTE the equivalent SDEs in the heliocentric spherical coordinate system for the backward approach. The advantages and disadvantages of the forward and the backward solution of the PTE are discussed. The obtained stochastic model of the Forbush decrease of the GCR intensity is in an agreement with the experimental data.
An analytical solution to contaminant transport through composite liners with geomembrane defects
Institute of Scientific and Technical Information of China (English)
无
2010-01-01
To investigate the performance of landfill composite liner system,a one-dimensional model was developed for solute transport through composite liners containing geomembrane defects.An analytical solution to the model was obtained by the method of Laplace transformation.The results obtained by the presented solution agree well with those obtained by the numerical method.Results show that leachate head and construction quality of geomembrane(GM) have significant influences on the performance of the composite liners for heavy metal ions.The breakthrough time of lead decreases from 50 a to 19 a when the leachate head increases from 0.3 m to 10 m.It is also indicated that the contaminant mass flux of volatile organic compounds(VOCs) induced by leakage can not be neglected in case of poor construction quality of the landfill barrier system.It is shown that diffusion coefficient and partition coefficient of GM have great influences on solute transport through composite liners for VOCs.The breakthrough time of heavy metal ions will be greatly overestimated if the effects of diffusion and adsorption of clay and geosynthetic clay liner(GCL) are neglected.The composite liner consisting of a geomembrane and a GCL provides a poor barrier for VOCs.The presented analytical solution is relatively simple to apply and can be used for preliminary design of composite liners,evaluating experimental results,and verifying more complex numerical models.
Directions in Radiation Transport Modelling
Directory of Open Access Journals (Sweden)
P Nicholas Smith
2016-12-01
More exciting advances are on the horizon to increase the power of simulation tools. The advent of high performance computers is allowing bigger, higher fidelity models to be created, if the challenges of parallelization and memory management can be met. 3D whole core transport modelling is becoming possible. Uncertainty quantification is improving with large benefits to be gained from more accurate, less pessimistic estimates of uncertainty. Advanced graphical displays allow the user to assimilate and make sense of the vast amounts of data produced by modern modelling tools. Numerical solvers are being developed that use goal-based adaptivity to adjust the nodalisation of the system to provide the optimum scheme to achieve the user requested accuracy on the results, thus removing the need to perform costly convergence studies in space and angle etc. More use is being made of multi-physics methods in which radiation transport is coupled with other phenomena, such as thermal-hydraulics, structural response, fuel performance and/or chemistry in order to better understand their interplay in reactor cores.
CFEST Coupled Flow, Energy & Solute Transport Version CFEST005 User’s Guide
Energy Technology Data Exchange (ETDEWEB)
Freedman, Vicky L.; Chen, Yousu; Gilca, Alex; Cole, Charles R.; Gupta, Sumant K.
2006-07-20
The CFEST (Coupled Flow, Energy, and Solute Transport) simulator described in this User’s Guide is a three-dimensional finite-element model used to evaluate groundwater flow and solute mass transport. Confined and unconfined aquifer systems, as well as constant and variable density fluid flows can be represented with CFEST. For unconfined aquifers, the model uses a moving boundary for the water table, deforming the numerical mesh so that the uppermost nodes are always at the water table. For solute transport, changes in concentra¬tion of a single dissolved chemical constituent are computed for advective and hydrodynamic transport, linear sorption represented by a retardation factor, and radioactive decay. Although several thermal parameters described in this User’s Guide are required inputs, thermal transport has not yet been fully implemented in the simulator. Once fully implemented, transport of thermal energy in the groundwater and solid matrix of the aquifer can also be used to model aquifer thermal regimes. The CFEST simulator is written in the FORTRAN 77 language, following American National Standards Institute (ANSI) standards. Execution of the CFEST simulator is controlled through three required text input files. These input file use a structured format of associated groups of input data. Example input data lines are presented for each file type, as well as a description of the structured FORTRAN data format. Detailed descriptions of all input requirements, output options, and program structure and execution are provided in this User’s Guide. Required inputs for auxillary CFEST utilities that aide in post-processing data are also described. Global variables are defined for those with access to the source code. Although CFEST is a proprietary code (CFEST, Inc., Irvine, CA), the Pacific Northwest National Laboratory retains permission to maintain its own source, and to distribute executables to Hanford subcontractors.
Optimal Model and Solution of Railway Hub Shift Working Plan
Institute of Scientific and Technical Information of China (English)
He Shiwei; Zhu Songnian; Lin Boliang
1996-01-01
Aiming at decreasing the hub transportation costs, a railway hub shift working plan in terms of multicommodity network flow model is set up for considering the coordination of freight working, train working and locomotive working plans. The solution and the calculating results are also introduced.
Energy Technology Data Exchange (ETDEWEB)
Jarsjoe, Jerker; Destouni, Georgia; Persson, Klas; Prieto, Carmen (Dept. of Physical Geography, Quaternary Geology, Stockholm Univ., Stockholm (Sweden))
2007-12-15
We formulate a general theoretical conceptualisation of solute transport from inland sources to downstream recipients, considering main recipient load contributions from all different nutrient and pollutant sources that may exist within any catchment. Since the conceptualisation is model independent, its main hydrological factors and mass delivery factors can be quantified on the basis of inputs to and outputs from any considered analytical or numerical model. Some of the conceptually considered source contribution and transport pathway combinations are however commonly neglected in catchment-scale solute transport and attenuation modelling, in particular those related to subsurface sources, diffuse sources at the land surface and direct groundwater transport into the recipient. The conceptual framework provides a possible tool for clarification of underlying and often implicit model assumptions, which can be useful for e.g. inter-model comparisons. In order to further clarify and explain research questions that may be of particular importance for transport pathways from deep groundwater surrounding a repository, we concretise and interpret some selected transport scenarios for model conditions in the Forsmark area. Possible uncertainties in coastal discharge predictions, related to uncertain spatial variation of evapotranspiration within the catchment, were shown to be small for the relatively large, focused surface water discharges from land to sea, because local differences were averaged out along the length of the main water flow paths. In contrast, local flux values within the diffuse groundwater flow field from land to sea are more uncertain, although estimates of mean values and total sums of submarine groundwater discharge (SGD) along some considerable coastline length may be robust. The present results show that 80% to 90% of the total coastal discharge of Forsmark occurred through focused flows in visible streams, whereas the remaining 10% to 20% was
Energy Technology Data Exchange (ETDEWEB)
Jarsjoe, Jerker; Destouni, Georgia; Persson, Klas; Prieto, Carmen (Dept. of Physical Geography, Quaternary Geology, Stockholm Univ., Stockholm (Sweden))
2007-12-15
We formulate a general theoretical conceptualisation of solute transport from inland sources to downstream recipients, considering main recipient load contributions from all different nutrient and pollutant sources that may exist within any catchment. Since the conceptualisation is model independent, its main hydrological factors and mass delivery factors can be quantified on the basis of inputs to and outputs from any considered analytical or numerical model. Some of the conceptually considered source contribution and transport pathway combinations are however commonly neglected in catchment-scale solute transport and attenuation modelling, in particular those related to subsurface sources, diffuse sources at the land surface and direct groundwater transport into the recipient. The conceptual framework provides a possible tool for clarification of underlying and often implicit model assumptions, which can be useful for e.g. inter-model comparisons. In order to further clarify and explain research questions that may be of particular importance for transport pathways from deep groundwater surrounding a repository, we concretise and interpret some selected transport scenarios for model conditions in the Forsmark area. Possible uncertainties in coastal discharge predictions, related to uncertain spatial variation of evapotranspiration within the catchment, were shown to be small for the relatively large, focused surface water discharges from land to sea, because local differences were averaged out along the length of the main water flow paths. In contrast, local flux values within the diffuse groundwater flow field from land to sea are more uncertain, although estimates of mean values and total sums of submarine groundwater discharge (SGD) along some considerable coastline length may be robust. The present results show that 80% to 90% of the total coastal discharge of Forsmark occurred through focused flows in visible streams, whereas the remaining 10% to 20% was
SOLUTE TRANSPORT IN NATURAL FRACTURES BASED ON DIGITAL IMAGE TECHNOLOGY
Institute of Scientific and Technical Information of China (English)
TAN Ye-fei; ZHOU Zhi-fang; HUANG Yong
2009-01-01
A method of fracture boundary extraction was developed using the Gaussian template and Canny boundary detection on the basis of the collected digital images of natural fractures. The roughness and apertures of the fractures were briefly discussed from the point of view of digital image analysis. The extracted fractured image was translated into a lattice image which can be directly used in numerical simulation. The lattice Boltzmann and modified moment propagation mixed method was then applied to the simulation of solute transport in a natural single fracture, and this mixed method could take the advantages of the lattice Boltzmann method in dealing with complex physical boundaries. The obtained concentrations was fitted with the CXTFIT2.1 code and compared with the results obtained with the commercial software Feflow. The comparison indicates that the simulation using the mixed method is sound.
Engineering charge transport by heterostructuring solution-processed semiconductors
Voznyy, Oleksandr; Sutherland, Brandon R.; Ip, Alexander H.; Zhitomirsky, David; Sargent, Edward H.
2017-06-01
Solution-processed semiconductor devices are increasingly exploiting heterostructuring — an approach in which two or more materials with different energy landscapes are integrated into a composite system. Heterostructured materials offer an additional degree of freedom to control charge transport and recombination for more efficient optoelectronic devices. By exploiting energetic asymmetry, rationally engineered heterostructured materials can overcome weaknesses, augment strengths and introduce emergent physical phenomena that are otherwise inaccessible to single-material systems. These systems see benefit and application in two distinct branches of charge-carrier manipulation. First, they influence the balance between excitons and free charges to enhance electron extraction in solar cells and photodetectors. Second, they promote radiative recombination by spatially confining electrons and holes, which increases the quantum efficiency of light-emitting diodes. In this Review, we discuss advances in the design and composition of heterostructured materials, consider their implementation in semiconductor devices and examine unexplored paths for future advancement in the field.
Indian Academy of Sciences (India)
Marko Žnidarič
2011-11-01
We discuss recent ﬁndings about properties of quantum nonequilibrium steady states. In particular we focus on transport properties. It is shown that the time-dependent density matrix renormalization method can be used successfully to ﬁnd a stationary solution of Lindblad master equation. Furthermore, for a speciﬁc model an exact solution is presented.
Intragranular diffusion: An important mechanism influencing solute transport in clastic aquifers?
Wood, W.W.; Kraemer, T.F.; Hearn, P.P.
1990-01-01
Quantification of intragranular porosity in sand-size material from an aquifer on Cape Cod, Massachusetts, by scanning electron microscopy, mercury injection, and epifluorescence techniques shows that there are more reaction sites and that porosity is greater that indicated by standard short-term laboratory tests and measurement techniques. Results from laboratory and field tracer tests show solute nonequilibrium for a reacting ion consistent with a model of diffusion into, and exchange within, grain interiors. These data indicate that a diffusion expression needs to be included in transport codes, particularly for simulation of the transport of radioactive and toxic wastes.
Continuous Time Random Walks for Non-Local Radial Solute Transport
Dentz, Marco; Borgne, Tanguy le
2016-01-01
This paper derives 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 heterogeneou...
Up-gradient transport in a probabilistic transport model
DEFF Research Database (Denmark)
Gavnholt, J.; Juul Rasmussen, J.; Garcia, O.E.
2005-01-01
The transport of particles or heat against the driving gradient is studied by employing a probabilistic transport model with a characteristic particle step length that depends on the local concentration or heat gradient. When this gradient is larger than a prescribed critical value, the standard....... These results supplement recent works by van Milligen [Phys. Plasmas 11, 3787 (2004)], which applied Levy distributed step sizes in the case of supercritical gradients to obtain the up-gradient transport. (c) 2005 American Institute of Physics....
Ranathunge, Kosala; Kim, Yangmin X; Wassmann, Friedrich; Kreszies, Tino; Zeisler, Viktoria; Schreiber, Lukas
2017-03-01
Roots have complex anatomical structures, and certain localized cell layers develop suberized apoplastic barriers. The size and tightness of these barriers depend on the growth conditions and on the age of the root. Such complex anatomical structures result in a composite water and solute transport in roots. Development of apoplastic barriers along barley seminal roots was detected using various staining methods, and the suberin amounts in the apical and basal zones were analysed using gas chromatography-mass spectometry (GC-MS). The hydraulic conductivity of roots ( Lp r ) and of cortical cells ( Lp c ) was measured using root and cell pressure probes. When grown in hydroponics, barley roots did not form an exodermis, even at their basal zones. However, they developed an endodermis. Endodermal Casparian bands first appeared as 'dots' as early as at 20 mm from the apex, whereas a patchy suberin lamellae appeared at 60 mm. The endodermal suberin accounted for the total suberin of the roots. The absolute amount in the basal zone was significantly higher than in the apical zone, which was inversely proportional to the Lp r . Comparison of Lp r and Lp c suggested that cell to cell pathways dominate for water transport in roots. However, the calculation of Lp r from Lp c showed that at least 26 % of water transport occurs through the apoplast. Roots had different solute permeabilities ( P sr ) and reflection coefficients ( σ sr ) for the solutes used. The σ sr was below unity for the solutes, which have virtually zero permeability for semi-permeable membranes. Suberized endodermis significantly reduces Lp r of seminal roots. The water and solute transport across barley roots is composite in nature and they do not behave like ideal osmometers. The composite transport model should be extended by adding components arranged in series (cortex, endodermis) in addition to the currently included components arranged in parallel (apoplastic, cell to cell pathways).
Multi-Fraction Bayesian Sediment Transport Model
Directory of Open Access Journals (Sweden)
Mark L. Schmelter
2015-09-01
Full Text Available A Bayesian approach to sediment transport modeling can provide a strong basis for evaluating and propagating model uncertainty, which can be useful in transport applications. Previous work in developing and applying Bayesian sediment transport models used a single grain size fraction or characterized the transport of mixed-size sediment with a single characteristic grain size. Although this approach is common in sediment transport modeling, it precludes the possibility of capturing processes that cause mixed-size sediments to sort and, thereby, alter the grain size available for transport and the transport rates themselves. This paper extends development of a Bayesian transport model from one to k fractional dimensions. The model uses an existing transport function as its deterministic core and is applied to the dataset used to originally develop the function. The Bayesian multi-fraction model is able to infer the posterior distributions for essential model parameters and replicates predictive distributions of both bulk and fractional transport. Further, the inferred posterior distributions are used to evaluate parametric and other sources of variability in relations representing mixed-size interactions in the original model. Successful OPEN ACCESS J. Mar. Sci. Eng. 2015, 3 1067 development of the model demonstrates that Bayesian methods can be used to provide a robust and rigorous basis for quantifying uncertainty in mixed-size sediment transport. Such a method has heretofore been unavailable and allows for the propagation of uncertainty in sediment transport applications.
Exact Solutions in Nonlocal Linear Models
Vernov, S. Yu.
2008-01-01
A general class of cosmological models driven by a nonlocal scalar field inspired by the string field theory is studied. Using the fact that the considering linear nonlocal model is equivalent to an infinite number of local models we have found an exact special solution of the nonlocal Friedmann equations. This solution describes a monotonically increasing Universe with the phantom dark energy.
Improved parallel solution techniques for the integral transport matrix method
Energy Technology Data Exchange (ETDEWEB)
Zerr, R. Joseph, E-mail: rjz116@psu.edu [Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, PA (United States); Azmy, Yousry Y., E-mail: yyazmy@ncsu.edu [Department of Nuclear Engineering, North Carolina State University, Burlington Engineering Laboratories, Raleigh, NC (United States)
2011-07-01
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 time by up to 10´ 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 cases are optically 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 pre conditioner consumes approximately the same time as the PBJ solver but could be improved by an as yet undeveloped, more efficient pre conditioner. (author)
Improved parallel solution techniques for the integral transport matrix method
Energy Technology Data Exchange (ETDEWEB)
Zerr, Robert J [Los Alamos National Laboratory; Azmy, Yousry Y [NORTH CAROLINA STATE UNIV.
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.
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
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
Tervo, J; Frank, M; Herty, M
2016-01-01
The paper considers a coupled system of linear Boltzmann transport equation (BTE), and its Continuous Slowing Down Approximation (CSDA). This system can be used to model the relevant transport of particles used e.g. in dose calculation in radiation therapy. The evolution of charged particles (e.g. electrons and positrons) are in practice often modelled using the CSDA version of BTE because of the so-called forward peakedness of scattering events contributing to the particle fluencies (or particle densities), which causes severe problems for numerical methods. First, we prove the existence and uniqueness of solutions, under sufficient criteria and in appropriate $L^2$-based spaces, of a single (particle) CSDA-equation by using two complementary techniques, the Lions-Lax-Milgram Theorem (variational approach), and the theory evolution operators (semigroup approach). The necessary a priori estimates are shown. In addition, we prove the corresponding results and estimates for the system of coupled transport equat...
Influence of Billet Size on Flow, Solidification and Solute Transport in Continuous Casting
Institute of Scientific and Technical Information of China (English)
ZHANG Hong-wei; WANG En-gang; HE Ji-cheng
2003-01-01
The influence of billet size on continuous casting was studied using the 3-D coupled turbulent flow, solidification and solute transport model. It is shown that the larger the billet size is, the larger the inlet velocity is; The deeper the stream penetration is and more liquid steel is pushed by mainstream, the stronger turbulent flow is observed in the upper part of mold. For Fe-C binary alloy system, the thickness of solidified shell is determined by temperature and solute concentration. The more serious macrosegregation and thinner shell are observed for smaller billet, thus a longer mold should be used.
Directory of Open Access Journals (Sweden)
SÁVIO LEANDRO BERTOLI
2016-07-01
Full Text Available In the engineering courses the field of Transport Phenomena is of significant importance and it is in several disciplines relating to Fluid Mechanics, Heat and Mass Transfer. In these disciplines, problems involving these phenomena are mathematically formulated and analytical solutions are obtained whenever possible. The aim of this paper is to emphasize the possibility of extending aspects of the teaching-learning in this area by a method based on time scales and limit solutions. Thus, aspects relative to the phenomenology naturally arise during the definition of the scales and / or by determining the limit solutions. Aspects concerning the phenomenology of the limit problems are easily incorporated into the proposed development, which contributes significantly to the understanding of physics inherent in the mathematical modeling of each limiting case studied. Finally the study aims to disseminate the use of the limit solutions and of the time scales in the general fields of engineering.
Analytic solutions for colloid transport with time- and depth-dependent retention in porous media
Leij, Feike J.; Bradford, Scott A.; Sciortino, Antonella
2016-12-01
Elucidating and quantifying the transport of industrial nanoparticles (e.g. silver, carbon nanotubes, and graphene oxide) and other colloid-size particles such as viruses and bacteria is important to safeguard and manage the quality of the subsurface environment. Analytic solutions were derived for aqueous and solid phase colloid concentrations in a porous medium where colloids were subject to advective transport and reversible time and/or depth-dependent retention. Time-dependent blocking and ripening retention were described using a Langmuir-type equation with a rate coefficient that respectively decreased and increased linearly with the retained concentration. Depth-dependent retention was described using a rate coefficient that is a power-law function of distance. The stream tube modeling concept was employed to extend these analytic solutions to transport scenarios with two different partitioning processes (i.e., two types of retention sites). The sensitivity of concentrations was illustrated for the various time- and/or depth-dependent retention model parameters. The developed analytical models were subsequently used to describe breakthrough curves and, in some cases, retention profiles from several published column studies that employed nanoparticle or pathogenic microorganisms. Simulations results provided valuable insights on causes for many observed complexities associated with colloid transport and retention, including: increasing or decreasing effluent concentrations with continued colloid application, delayed breakthrough, low concentration tailing, and retention profiles that are hyper-exponential, exponential, linear, or non-monotonic with distance.
New exact solutions in standard inflationary models
Chervon, S V; Shchigolev, V K
1997-01-01
The exact solutions in the standard inflationary model based on the self-interacting scalar field minimally coupled to gravity are considered. The shape's freedom of the self-interacting potential $V(\\phi)$ is postulated to obtain a new set of the exact solutions in the framework of Friedmann-Robertson-Walker Universes. The general solution was found in the case of power law inflation. We obtained new solutions and compared them with obtained ones earlir for the exponential type inflation.
Business Models For Transport eBusiness
Dragan Cisic; Ivan Franciskovic; Ana Peric
2003-01-01
In this paper authors are presenting expectations from electronic commerce and its connotations on transport logistics. Based on trends, the relations between the companies in the international transport have to be strengthened using Internet business models. In the paper authors are investigating e-business information models for usage in transport
Energy Technology Data Exchange (ETDEWEB)
Steirer, K. Xerxes; Berry, Joseph J.; Chesin, Jordan P.; Lloyd, Matthew T.; Widjonarko, Nicodemus Edwin; Miedaner, Alexander; Curtis, Calvin J.; Ginley, David S.; Olson, Dana C.
2017-01-10
A method for the application of solution processed metal oxide hole transport layers in organic photovoltaic devices and related organic electronics devices is disclosed. The metal oxide may be derived from a metal-organic precursor enabling solution processing of an amorphous, p-type metal oxide. An organic photovoltaic device having solution processed, metal oxide, thin-film hole transport layer.
Modeling energy transport in nanostructures
Pattamatta, Arvind
Heat transfer in nanostructures differ significantly from that in the bulk materials since the characteristic length scales associated with heat carriers, i.e., the mean free path and the wavelength, are comparable to the characteristic length of the nanostructures. Nanostructure materials hold the promise of novel phenomena, properties, and functions in the areas of thermal management and energy conversion. Example of thermal management in micro/nano electronic devices is the use of efficient nanostructured materials to alleviate 'hot spots' in integrated circuits. Examples in the manipulation of heat flow and energy conversion include nanostructures for thermoelectric energy conversion, thermophotovoltaic power generation, and data storage. One of the major challenges in Metal-Oxide Field Effect Transistor (MOSFET) devices is to study the 'hot spot' generation by accurately modeling the carrier-optical phonon-acoustic phonon interactions. Prediction of hotspot temperature and position in MOSFET devices is necessary for improving thermal design and reliability of micro/nano electronic devices. Thermoelectric properties are among the properties that may drastically change at nanoscale. The efficiency of thermoelectric energy conversion in a material is measured by a non-dimensional figure of merit (ZT) defined as, ZT = sigmaS2T/k where sigma is the electrical conductivity, S is the Seebeck coefficient, T is the temperature, and k is the thermal conductivity. During the last decade, advances have been made in increasing ZT using nanostructures. Three important topics are studied with respect to energy transport in nanostructure materials for micro/nano electronic and thermoelectric applications; (1) the role of nanocomposites in improving the thermal efficiency of thermoelectric devices, (2) the interfacial thermal resistance for the semiconductor/metal contacts in thermoelectric devices and for metallic interconnects in micro/nano electronic devices, (3) the
Benchmark Study of 3D Pore-scale Flow and Solute Transport Simulation Methods
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.
Cholesterol transport in model membranes
Garg, Sumit; Porcar, Lionel; Butler, Paul; Perez-Salas, Ursula
2010-03-01
Physiological processes distribute cholesterol unevenly within the cell. The levels of cholesterol are maintained by intracellular transport and a disruption in the cell's ability to keep these normal levels will lead to disease. Exchange rates of cholesterol are generally studied in model systems using labeled lipid vesicles. Initially donor vesicles have all the cholesterol and acceptor vesicles are devoid of it. They are mixed and after some time the vesicles are separated and cholesterol is traced in each vesicle. The studies performed up to date have significant scatter indicating that the methodologies are not consistent. The present work shows in-situ Time-Resolved SANS studies of cholesterol exchange rates in unsaturated PC lipid vesicles. Molecular dynamics simulations were done to investigate the energetic and kinetic behavior of cholesterol in this system. This synergistic approach will provide insight into our efforts to understand cholesterol traffic.
Disorder solutions of lattice spin models
Batchelor, M. T.; van Leeuwen, J. M. J.
1989-01-01
It is shown that disorder solutions, which have been obtained by different methods, follow from a simple decimation method. The method is put in general form and new disorder solutions are constructed for the Blume-Emery-Griffiths model on a triangular lattice and for Potts and Ising models on square and fcc lattices.
Modeling subsurface contaminant reactions and transport at the watershed scale
Energy Technology Data Exchange (ETDEWEB)
Gwo, J.P.; Jardine, P.M.; D`Azevedo, E.F. [Oak Ridge National Lab., TN (United States); Wilson, G.V. [Desert Research Inst., Las Vegas, NV (United States). Water Resources Center
1997-12-01
The objectives of this research are: (1) to numerically examine the multiscale effects of physical and chemical mass transfer processes on watershed scale, variably saturated subsurface contaminant transport, and (2) to conduct numerical simulations on watershed scale reactive solute transport and evaluate their implications to uncertainty characterization and cost benefit analysis. Concurrent physical and chemical nonequilibrium caused by inter aggregate gradients of pressure head and solute concentration and intra-aggregate geochemical and microbiological processes, respectively, may arise at various scales and flowpaths. To this date, experimental investigations of these complex processes at watershed scale remain a challenge and numerical studies are often needed for guidance of water resources management and decision making. This research integrates the knowledge bases developed during previous experimental and numerical investigations at a proposed waste disposal site at the Oak Ridge National Laboratory to study the concurrent effects of physical and chemical nonequilibrium. Comparison of numerical results with field data indicates that: (1) multiregion, preferential flow and solute transport exist under partially saturated condition and can be confirmed theoretically, and that (2) mass transfer between pore regions is an important process influencing contaminant movement in the subsurface. Simulations of watershed scale, multi species reactive solute transport suggest that dominance of geochemistry and hydrodynamics may occur simultaneously at different locales and influence the movement of one species relative to another. Execution times on the simulations of the reactive solute transport model also indicate that the model is ready to assist the selection of important parameters for site characterization.
Modeling subsurface contaminant reactions and transport at the watershed scale
Energy Technology Data Exchange (ETDEWEB)
Gwo, J.P.; Jardine, P.M.; D`Azevedo, E.F. [Oak Ridge National Lab., TN (United States); Wilson, G.V. [Desert Research Inst., Las Vegas, NV (United States). Water Resources Center
1997-12-01
The objectives of this research are: (1) to numerically examine the multiscale effects of physical and chemical mass transfer processes on watershed scale, variably saturated subsurface contaminant transport, and (2) to conduct numerical simulations on watershed scale reactive solute transport and evaluate their implications to uncertainty characterization and cost benefit analysis. Concurrent physical and chemical nonequilibrium caused by inter aggregate gradients of pressure head and solute concentration and intra-aggregate geochemical and microbiological processes, respectively, may arise at various scales and flowpaths. To this date, experimental investigations of these complex processes at watershed scale remain a challenge and numerical studies are often needed for guidance of water resources management and decision making. This research integrates the knowledge bases developed during previous experimental and numerical investigations at a proposed waste disposal site at the Oak Ridge National Laboratory to study the concurrent effects of physical and chemical nonequilibrium. Comparison of numerical results with field data indicates that: (1) multiregion, preferential flow and solute transport exist under partially saturated condition and can be confirmed theoretically, and that (2) mass transfer between pore regions is an important process influencing contaminant movement in the subsurface. Simulations of watershed scale, multi species reactive solute transport suggest that dominance of geochemistry and hydrodynamics may occur simultaneously at different locales and influence the movement of one species relative to another. Execution times on the simulations of the reactive solute transport model also indicate that the model is ready to assist the selection of important parameters for site characterization.
Synchronizing production and air transportation scheduling using mathematical programming models
Zandieh, M.; Molla-Alizadeh-Zavardehi, S.
2009-08-01
Traditional scheduling problems assume that there are always infinitely many resources for delivering finished jobs to their destinations, and no time is needed for their transportation, so that finished products can be transported to customers without delay. So, for coordination of these two different activities in the implementation of a supply chain solution, we studied the problem of synchronizing production and air transportation scheduling using mathematical programming models. The overall problem is decomposed into two sub-problems, which consists of air transportation allocation problem and a single machine scheduling problem which they are considered together. We have taken into consideration different constraints and assumptions in our modeling such as special flights, delivery tardiness and no delivery tardiness. For these purposes, a variety of models have been proposed to minimize supply chain total cost which encompass transportation, makespan, delivery earliness tardiness and departure time earliness tardiness costs.
Lattice Model for water-solute mixtures
Furlan, A. P.; Almarza, N. G.; M. C. Barbosa
2016-01-01
A lattice model for the study of mixtures of associating liquids is proposed. Solvent and solute are modeled by adapting the associating lattice gas (ALG) model. The nature of interaction solute/solvent is controlled by tuning the energy interactions between the patches of ALG model. We have studied three set of parameters, resulting on, hydrophilic, inert and hydrophobic interactions. Extensive Monte Carlo simulations were carried out and the behavior of pure components and the excess proper...
Stochastic approach to the numerical solution of the non-stationary Parker's transport equation
Wawrzynczak, A; Gil, A
2015-01-01
We present the newly developed stochastic model of the galactic cosmic ray (GCR) particles transport in the heliosphere. Mathematically Parker transport equation (PTE) describing non-stationary transport of charged particles in the turbulent medium is the Fokker-Planck type. It is the second order parabolic time-dependent 4-dimensional (3 spatial coordinates and particles energy/rigidity) partial differential equation. It is worth to mention that, if we assume the stationary case it remains as the 3-D parabolic type problem with respect to the particles rigidity R. If we fix the energy it still remains as the 3-D parabolic type problem with respect to time. The proposed method of numerical solution is based on the solution of the system of stochastic differential equations (SDEs) being equivalent to the Parker's transport equation. We present the method of deriving from PTE the equivalent SDEs in the heliocentric spherical coordinate system for the backward approach. The obtained stochastic model of the Forbu...
Product Lifecycle Management and the Quest for Sustainable Space Transportation Solutions
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.
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
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.
New constructive solutions for building of transport construction facilities
Directory of Open Access Journals (Sweden)
Babayev Vladimir
2017-01-01
Full Text Available New structural systems for civil and transport engineering were examined. The basis for the formation of the proposed reinforced concrete structures is the ideology of reducing its dead weight, with a given bearing capacity, the realization of which is accomplished by burial during concreting large-sized liners of a given shape and manufactured from lightweight, inexpensive composite materials. The process of erecting these systems is presented in two forms: for flat structures - using self-tightening concrete, and for curvilinear ones - by using shotcrete technologies. The second direction is presented by steel-reinforced concrete structures. These structural systems were created on the basis of innovative component and methods of rationalization of parameters. The basis of the above methods is a compiler which includes the finite element method, adaptive evolution method and special iterative procedures. Experimental verification of structural solutions and formation procedures for suggested systems was performed. Comparison between theoretical and experimental data is given. Suggested systems were implemented in a number of building companies.
An optimized transport-of-intensity solution for phase imaging
Banerjee, Partha; Basunia, Mahmudunnabi; Poon, Ting-Chung; Zhang, Hongbo
2016-05-01
The transport-of-intensity equation (TIE) is often used to determine the phase and amplitude profile of a complex object by monitoring the intensities at different distances of propagation or around the image plane. TIE results from the imaginary part of the paraxial wave equation and is equivalent to the conservation of energy. The real part of the paraxial wave equation gives the eikonal equation in the presence of diffraction. Since propagation of the optical field between different planes is governed by the (paraxial) wave equation, both real and imaginary parts need to be satisfied at every propagation plane. In this work, the solution of the TIE is optimized by using the real part of the paraxial wave equation as a constraint. This technique is applied to the more exact determination of imaging the induced phase of a liquid heated by a focused laser beam, which has been previously computed using TIE only. Retrieval of imaged phase using the TIE is performed by using the constraint that naturally arises from the real part of the paraxial wave equation.
SATURATED ZONE FLOW AND TRANSPORT MODEL ABSTRACTION
Energy Technology Data Exchange (ETDEWEB)
B.W. ARNOLD
2004-10-27
The purpose of the saturated zone (SZ) flow and transport model abstraction task is to provide radionuclide-transport simulation results for use in the total system performance assessment (TSPA) for license application (LA) calculations. This task includes assessment of uncertainty in parameters that pertain to both groundwater flow and radionuclide transport in the models used for this purpose. This model report documents the following: (1) The SZ transport abstraction model, which consists of a set of radionuclide breakthrough curves at the accessible environment for use in the TSPA-LA simulations of radionuclide releases into the biosphere. These radionuclide breakthrough curves contain information on radionuclide-transport times through the SZ. (2) The SZ one-dimensional (I-D) transport model, which is incorporated in the TSPA-LA model to simulate the transport, decay, and ingrowth of radionuclide decay chains in the SZ. (3) The analysis of uncertainty in groundwater-flow and radionuclide-transport input parameters for the SZ transport abstraction model and the SZ 1-D transport model. (4) The analysis of the background concentration of alpha-emitting species in the groundwater of the SZ.
Semianalytical Solutions of Radioactive or Reactive Tracer Transport in Layered Fractured Media
Energy Technology Data Exchange (ETDEWEB)
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
Energy Technology Data Exchange (ETDEWEB)
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.
Logistics and Transport - a conceptual model
DEFF Research Database (Denmark)
Jespersen, Per Homann; Drewes, Lise
2004-01-01
This paper describes how the freight transport sector is influenced by logistical principles of production and distribution. It introduces new ways of understanding freight transport as an integrated part of the changing trends of mobility. By introducing a conceptual model for understanding...... the interaction between logistics and transport, it points at ways to over-come inherent methodological difficulties when studying this relation...
Self-similar Solutions for a Transport Equation with Non-local Flux
Institute of Scientific and Technical Information of China (English)
Angel CASTRO; Diego C(O)RDOBA
2009-01-01
The authors construct self-similar solutions for an N-dimensional transport equation,where the velocity is given by the Riezs transform.These solutions imply nonuniqueness of weak solution.In addition,self-similar solution for a one-dimensional conservative equation involving the Hilbert transform is obtained.
Evidence For Diffusion Dominant Solute Transport In The Ordovician Sediments Of The Michigan Basin
Sykes, J. F.; Normani, S. D.; Yin, Y.
2011-12-01
A Deep Geologic Repository (DGR) for Low and Intermediate Level Radioactive Waste has been proposed by Ontario Power Generation for the Bruce site near Tiverton, Ontario, 225 km northwest of Toronto. The DGR concept envisions a repository excavated at a depth of 680 m within the low permeability (less than 10e-14 m/s) limestone Cobourg Formation beneath 200 m of Ordovician age shale. The attributes of the hydrogeologic environment for the DGR, and the potential for solute transport from a repository, were assessed using numerical models for hypothesis testing and numerical experiments. Data for the analyses included Westbay pressure measurements from the DGR site investigation boreholes. These data indicate that the Cambrian sandstone and the Niagaran Group in the Silurian are over-pressured relative to density corrected hydrostatic levels while the Ordovician limestone and shale are significantly under-pressured. The abnormal pressures provide evidence that solute transport in the low permeable Ordovician sediments is diffusion dominant. Sedimentary basins, when at hydrological equilibrium, normally show a near-hydrostatic pressure distribution. Under certain conditions, some excess pressure or pressure greater than hydrostatic can develop in low-permeability layers or other hydraulically isolated parts of systems. The processes commonly invoked to explain these over-pressures are compaction, hydrocarbon migration, diagenesis, tectonic stress or more simply topographic effects. Explanations of abnormal under-pressures include osmosis, exhumation, glaciation unloading, crustal flexure and the presence of a non-wetting gas phase in pores. A requirement of both abnormal over-pressures and under-pressures is low hydraulic conductivity in either the formation in which the abnormal pressures are observed, or in the overlying and underlying formations. Hydraulic conductivity estimates from straddle packer tests in the DGR boreholes confirm that the hydraulic
Biological transportation networks: Modeling and simulation
Albi, Giacomo
2015-09-15
We present a model for biological network formation originally introduced by Cai and Hu [Adaptation and optimization of biological transport networks, Phys. Rev. Lett. 111 (2013) 138701]. The modeling of fluid transportation (e.g., leaf venation and angiogenesis) and ion transportation networks (e.g., neural networks) is explained in detail and basic analytical features like the gradient flow structure of the fluid transportation network model and the impact of the model parameters on the geometry and topology of network formation are analyzed. We also present a numerical finite-element based discretization scheme and discuss sample cases of network formation simulations.
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.
Representing solute transport through the multi-barrier disposal system by simplified concepts
Energy Technology Data Exchange (ETDEWEB)
Poteri, A.; Nordman, H.; Pulkkanen, V-M. [VTT Technical Research Centre of Finland, Espoo (Finland); Kekaelaeinen, P. [Jyvaeskylae Univ. (Finland). Dept. pf Physics; Hautojaervi, A.
2012-02-15
The repository system chosen in Finland for spent nuclear fuel is composed of multiple successive transport barriers. If a waste canister is leaking, this multi-barrier system retards and limits the release rates of radionuclides into the biosphere. Analysis of radionuclide migration in the previous performance assessments has largely been based on numerical modelling of the repository system. The simplified analytical approach introduced here provides a tool to analyse the performance of the whole system using simplified representations of the individual transport barriers. This approach is based on the main characteristics of the individual barriers and on the generic nature of the coupling between successive barriers. In the case of underground repository the mass transfer between successive transport barriers is strongly restricted by the interfaces between barriers leading to well-mixed conditions in these barriers. The approach here simplifies the barrier system so that it can be described with a very simple compartment model, where each barrier is represented by a single, or in the case of buffer, by not more than two compartments. This system of compartments could be solved in analogy with a radioactive decay chain. The model of well mixed compartments lends itself to a very descriptive way to represent and analyse the barrier system because the relative efficiency of the different barriers in hindering transport of solutes can be parameterised by the solutes half-times in the corresponding compartments. In a real repository system there will also be a delay between the start of the inflow and the start of the outflow from the barrier. This delay can be important for the release rates of the short lived and sorbing radionuclides, and it was also included in the simplified representation of the barrier system. In a geological multi-barrier system, spreading of the outflowing release pulse is often governed by the typical behaviour of one transport barrier
A Sediment Transport Model for Sewers
DEFF Research Database (Denmark)
Mark, Ole; Larsson, Johan; Larsen, Torben
1993-01-01
This paper describes a mathematical model for transport processes in sewers. The model consists of three sub models, a surface model for the description of the buildup and the washoff of sediment particles from the surface area, a morphological model and an advection-dispersion model. The model...
Effects of Convective Solute and Impurity Transport in Protein Crystal Growth
Vekilov, Peter G.; Thomas, Bill R.; Rosenberger, Franz
1998-01-01
High-resolution optical interferometry was used to investigate the effects of forced solution convection on the crystal growth kinetics of the model protein lysozyme. Most experiments were conducted with 99.99% pure protein solutions. To study impurity effects, approx. 1% of lysozyme dimer (covalently bound) was added in some cases. We show that the unsteady kinetics, corresponding to bunching of growth steps, can be characterized by the Fourier components of time traces of the growth rate. Specific Fourier spectra are uniquely determined by the solution conditions (composition, temperature, and flow rate) and the growth layer source activity. We found that the average step velocity and growth rate increase by approx. I0% with increasing flow rate, as a result of the enhanced solute supply to the interface. More importantly, faster convective transport results in lower fluctuation amplitudes. This observation supports our rationale for system-dependent effects of transport on the structural perfection of protein crystals. We also found that solution flow rates greater than 500 microns/s result in stronger fluctuations while the average growth rate is decreased. This can lead to growth cessation at low supersaturations. With the intentionally contaminated solutions, these undesirable phenomena occurred at about half the flow rates required in pure solutions. Thus, we conclude that they are due to enhanced convective supply of impurities that are incorporated into the crystal during growth. Furthermore, we found that the impurity effects are reduced at higher crystal growth rates. Since the exposure time of terraces is inversely proportional to the growth rate, this observation suggests that the increased kinetics instability results from impurity adsorption on the interface. Finally, we provide evidence relating earlier observations of "slow protein crystal growth kinetics" to step bunch formation in response to nonsteady step generation.
Model for radionuclide transport in running waters
Energy Technology Data Exchange (ETDEWEB)
Jonsson, Karin; Elert, Mark [Kemakta Konsult AB, Stockholm (Sweden)
2005-11-15
, however, the approximation of equilibrium chemistry is assumed to be sufficient for order of magnitude predictions when a constant inflow of radionuclides is considered. A first sensitivity analysis of the model is performed in which different model parameters have been varied. At the time for the model development, almost no detailed site-specific information about e.g. channel geometry or sediment characteristics were available. Simulations were therefore performed for a hypothetical case, where the ranges of possible parameter values was based on literature information, generalizations from other stream systems and some site-specific information such as large-scale information of the morphology at the present sites. For order of magnitude predictions of the concentration or amount of radionuclides in the different parts of the stream ecosystem, a yearly mean value of the water flow was assumed to be sufficient. Therefore, the further sensitivity analyses were performed for constant flow conditions. The sensitivity analyses indicated that the main retention along the stream is due to uptake within the sediment. Initially, the uptake will cause a retardation of the solute transport. The sediment capacity is however limited and after saturation, the outflow of radionuclides in the longitudinal direction will be completely determined by the inflow to the system. The time for reaching this equilibrium and the equilibrium concentration in the sediment varies however with different conditions and radionuclides, e.g. due to sorption characteristics, sedimentation velocity and advective velocity within the sediment. The degree of variation caused by different factors is, however, different. In the simulations performed in this study, the time for reaching equilibrium ranges from less than a year to a couple of hundred years. For predictions of the dose to humans, the accumulated amount in the sediment should also be considered and not only the concentration in the stream water
Modeling of sodium acetate recovery from aqueous solutions by electrodialysis.
Fidaleo, Marcello; Moresi, Mauro
2005-09-05
The main engineering parameters (i.e., ion transport numbers in solution and electro-membranes; effective solute and water transport numbers; effective membrane surface area, membrane surface resistances, and limiting current intensity) affecting the recovery of sodium acetate from model solutions by electrodialysis (ED) were determined in accordance with a sequential experimental procedure. Such parameters allowed a satisfactory simulation of a few validation tests carried out under constant or step-wisely variable current intensity. The performance of this ED process was characterized in terms of a current efficiency (omega) of about 93% in the constant-current region, a water transport number (t(W)) of about 15, and a specific energy consumption (epsilon) increasing from 0.14 to 0.31 kWh/kg for a solute recovery yield of 95% as the current density (j) was increased from 112 to 337 A/m2. The specific resistance of the anion- or cation-exchange membranes were found to be three or two times greater than those measured in aqueous NaCl solutions and are to be used to design and/or optimize ED stacks involved in the downstream processing of acetic acid fermentation broths.
Capillary-Driven Solute Transport and Precipitation in Porous Media during Dry-Out
Ott, Holger; Andrew, Matthew; Blunt, Martin; Snippe, Jeroen
2014-05-01
The injection of dry or under-saturated gases or supercritical (SC) fluids into water bearing formations might lead to a formation dry-out in the vicinity of the injection well. The dry-out is caused by the evaporation/dissolution of formation water into the injected fluid and the subsequent transport of dissolved water in the injected fluid away from the injection well. Dry-out results in precipitation from solutes of the formation brine and consequently leads to a reduction of the rock's pore space (porosity) and eventually to a reduction of permeability near the injection well, or even to the loss of injectivity. Recently evidence has been found that the complexity of the pore space and the respective capillary driven solute transport plays a key role. While no effective-permeability (Keff) reduction was observed in a single-porosity sandstone, multi porosity carbonate rocks responded to precipitation with a strong reduction of Keff. The reason for the different response of Keff to salt precipitation is suspected to be in the exact location of the precipitate (solid salt) in the pore space. In this study, we investigate dry-out and salt precipitation due to supercritical CO2 injection in single and multi-porosity systems under near well-bore conditions. We image fluid saturation changes by means of μCT scanning during desaturation. We are able to observe capillary driven transport of the brine phase and the respective transport of solutes on the rock's pore scale. Finally we have access to the precipitated solid-salt phase and their distribution. The results can proof the thought models behind permeability porosity relationships K(φ) for injectivity modeling. The topic and the mechanisms we show are of general interest for drying processes in porous material such as soils and paper.
Singha, K.; Kuntz, B. W.; Toran, L.
2009-12-01
tests, observed transport behavior appears inconsistent with the standard advective-dispersive model. Results from a conservative NaBr tracer test conducted in 10-cm undisturbed soil columns from the SHCZO include concentration histories that show long tailing behavior and non-Gaussian breakthrough, indicative perhaps of dual-domain solute transport between preferential pathways and a less permeable matrix. A numerical model of the soil column indicates than a mass transfer rate of approximately 1/hr with a mobile-domain porosity of 0.3 and an immobile-domain porosity of 0.35 can explain the data. The total porosity is consistent with previously published estimates of total porosity. At the field scale, a NaBr tracer test conducted within the Rose Hill Shale shows similar behavior, and mass transfer is needed to explain those concentration histories. These data indicate that solutes transfer between the highly permeable macropores and fractures and into the soil/shale matrix, and that diffusion is a transport property of concern in predicting solute transport behavior over the long term at the SHCZO. Both soils and shale material at this site show preferential pathways that may be indicative of dual-domain solute transport behavior.
Langevin model for reactive transport in porous media
Tartakovsky, Alexandre M.
2010-08-01
Existing continuum models for reactive transport in porous media tend to overestimate the extent of solute mixing and mixing-controlled reactions because the continuum models treat both the mechanical and diffusive mixings as an effective Fickian process. Recently, we have proposed a phenomenological Langevin model for flow and transport in porous media [A. M. Tartakovsky, D. M. Tartakovsky, and P. Meakin, Phys. Rev. Lett. 101, 044502 (2008)10.1103/PhysRevLett.101.044502]. In the Langevin model, the fluid flow in a porous continuum is governed by a combination of a Langevin equation and a continuity equation. Pore-scale velocity fluctuations, the source of mechanical dispersion, are represented by the white noise. The advective velocity (the solution of the Langevin flow equation) causes the mechanical dispersion of a solute. Molecular diffusion and sub-pore-scale Taylor-type dispersion are modeled by an effective stochastic advection-diffusion equation. Here, we propose a method for parameterization of the model for a synthetic porous medium, and we use the model to simulate multicomponent reactive transport in the porous medium. The detailed comparison of the results of the Langevin model with pore-scale and continuum (Darcy) simulations shows that: (1) for a wide range of Peclet numbers the Langevin model predicts the mass of reaction product more accurately than the Darcy model; (2) for small Peclet numbers predictions of both the Langevin and the Darcy models agree well with a prediction of the pore-scale model; and (3) the accuracy of the Langevin and Darcy model deteriorates with the increasing Peclet number but the accuracy of the Langevin model decreases more slowly than the accuracy of the Darcy model. These results show that the separate treatment of advective and diffusive mixing in the stochastic transport model is more accurate than the classical advection-dispersion theory, which uses a single effective diffusion coefficient (the dispersion
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
Upscaling of solute transport in disordered porous media by wavelet transformations
Moslehi, Mahsa; de Barros, Felipe P. J.; Ebrahimi, Fatemeh; Sahimi, Muhammad
2016-10-01
Modeling flow and solute transport in large-scale (e.g.) on the order of 103 m heterogeneous porous media involves substantial computational burden. A common approach to alleviate the problem is to utilize an upscaling method that generates models that require less intensive computations. The method must also preserve the important properties of the spatial distribution of the hydraulic conductivity (K) field. We use an upscaling method based on the wavelet transformations (WTs) that coarsens the computational grid based on the spatial distribution of K. The technique is applied to a porous formation with broadly distributed and correlated K values, and the governing equation for solute transport in the formation is solved numerically. The WT upscaling preserves the resolution of the initial highly-resolved computational grid in the high K zones, as well as that of the zones with sharp contrasts between the neighboring K, whereas the low-K zones are averaged out. To demonstrate the accuracy of the method, we simulate fluid flow and nonreactive solute transport in both the high-resolution and upscaled grids, and compare the concentration profiles and the breakthrough times. The results indicate that the WT upscaling of a K field generates non-uniform upscaled grids with a number of grid blocks that on average is about two percent of the number of the blocks in the original high-resolution computational grids, while the concentration profiles, the breakthrough times and the second moment of the concentration distribution, computed for both models, are virtually identical. A systematic parametric study is also carried out in order to investigate the sensitivity of the method to the broadness of the K field, the nature of the correlations in the field (positive versus negative), and the size of the computational grid. As the broadness of the K field and the size of the computational domain increase, better agreement between the results for the high-resolution and
Exact Solution of a Drop-Push Model for Percolation
Majumdar, Satya N.; Dean, David S.
2002-08-01
Motivated by a computer science algorithm known as ``linear probing with hashing,'' we study a new type of percolation model whose basic features include a sequential ``dropping'' of particles on a substrate followed by their transport via a ``pushing'' mechanism. Our exact solution in one dimension shows that, unlike the ordinary random percolation model, the drop-push model has nontrivial spatial correlations generated by the dynamics itself. The critical exponents in the drop-push model are also different from those of the ordinary percolation. The relevance of our results to computer science is pointed out.
The european Trans-Tools transport model
Rooijen, T. van; Burgess, A.
2008-01-01
The paper presents the use of ArcGIS in the Transtools Transport Model, TRANS-TOOLS, created by an international consortium for the European Commission. The model describe passenger as well as freight transport in Europe with all medium and long distance modes (cars, vans, trucks, train, inland
The european Trans-Tools transport model
Rooijen, T. van; Burgess, A.
2008-01-01
The paper presents the use of ArcGIS in the Transtools Transport Model, TRANS-TOOLS, created by an international consortium for the European Commission. The model describe passenger as well as freight transport in Europe with all medium and long distance modes (cars, vans, trucks, train, inland wate
Optimal transportation networks models and theory
Bernot, Marc; Morel, Jean-Michel
2009-01-01
The transportation problem can be formalized as the problem of finding the optimal way to transport a given measure into another with the same mass. In contrast to the Monge-Kantorovitch problem, recent approaches model the branched structure of such supply networks as minima of an energy functional whose essential feature is to favour wide roads. Such a branched structure is observable in ground transportation networks, in draining and irrigation systems, in electrical power supply systems and in natural counterparts such as blood vessels or the branches of trees. These lectures provide mathematical proof of several existence, structure and regularity properties empirically observed in transportation networks. The link with previous discrete physical models of irrigation and erosion models in geomorphology and with discrete telecommunication and transportation models is discussed. It will be mathematically proven that the majority fit in the simple model sketched in this volume.
The quantum Rabi model: solution and dynamics
Xie, Qiongtao; Zhong, Honghua; Batchelor, Murray T.; Lee, Chaohong
2017-03-01
This article presents a review of recent developments on various aspects of the quantum Rabi model. Particular emphasis is given on the exact analytic solution obtained in terms of confluent Heun functions. The analytic solutions for various generalisations of the quantum Rabi model are also discussed. Results are also reviewed on the level statistics and the dynamics of the quantum Rabi model. The article concludes with an introductory overview of several experimental realisations of the quantum Rabi model. An outlook towards future developments is also given.
The quantum Rabi model: solution and dynamics
Xie, Qiongtao; Batchelor, Murray T; Lee, Chaohong
2016-01-01
This article presents a review of recent developments on various aspects of the quantum Rabi model. Particular emphasis is given on the exact analytic solution obtained in terms of confluent Heun functions. The analytic solutions for various generalisations of the quantum Rabi model are also discussed. Results are also reviewed on the level statistics and the dynamics of the quantum Rabi model. The article concludes with an introductory overview of several experimental realisations of the quantum Rabi model. An outlook towards future developments is also given.
Submarine groundwater discharge and solute transport under a transgressive barrier island
Evans, Tyler B.; Wilson, Alicia M.
2017-04-01
Many recent investigations of groundwater dynamics in beaches employed groundwater models that assumed isotropic, numerically-convenient hydrogeological conditions. Real beaches exhibit local variability with respect to stratigraphy, sediment grain size and associated topographic profile, so that groundwater flow may diverge significantly from idealized models. We used a combination of hydrogeologic field methods and a variable-density, saturated-unsaturated, transient groundwater flow model to investigate SGD and solute transport under Cabretta Beach, a small transgressive barrier island seaward of Sapelo Island, Georgia. We found that the inclusion of real beach heterogeneity drove important deviations from predictions based on theoretical beaches. Cabretta Beach sustained a stronger upper saline plume than predicted due to the presence of a buried silty mud layer beneath the surface. Infiltration of seawater was greater for neap tides than for spring tides due to variations in beach slope. The strength of the upper saline plume was greatest during spring tides, contrary to recent model predictions. The position and width of the upper saline plume was highly dynamic through the lunar cycle. Our results suggest that field measurements of salinity gradients may be useful for estimating rates of tidally and density driven recirculation through the beach. Finally, our results indicate that several important biogeochemical cycles recently studied at Cabretta Beach were heavily influenced by groundwater flow and associated solute transport.
Muna, Joseph T.; Prescott, Kevin
2011-08-01
Traditionally, freight transport and telematics solutions that exploit the GPS capabilities of in- vehicle devices to provide innovative Location Based Services (LBS) including track and trace transport systems have been the preserve of a select cluster of transport operators and organisations with the financial resources to develop the requisite custom software and hardware on which they are deployed. The average cost of outfitting a typical transport vehicle or truck with the latest Intelligent Transport System (ITS) increases the cost of the vehicle by anything from a couple to several thousand Euros, depending on the complexity and completeness of the solution. Though this does not generally deter large fleet transport owners since they typically get Return on Investment (ROI) based on economies of scale, it presents a barrier for the smaller independent entities that constitute the majority of freight transport operators [1].The North Sea Freight Intelligent Transport Solution (NS FRITS), a project co-funded by the European Commission Interreg IVB North Sea Region Programme, aims to make acquisition of such transport solutions easier for those organisations that cannot afford the expensive, bespoke systems used by their larger competitors.The project addresses transport security threats by developing a system capable of informing major actors along the freight logistics supply chain, of changing circumstances within the region's major transport corridors and between transport modes. The project also addresses issues of freight volumes, inter-modality, congestion and eco-mobility [2].
Up-gradient transport in a probabilistic transport model
DEFF Research Database (Denmark)
Gavnholt, J.; Juul Rasmussen, J.; Garcia, O.E.
2005-01-01
The transport of particles or heat against the driving gradient is studied by employing a probabilistic transport model with a characteristic particle step length that depends on the local concentration or heat gradient. When this gradient is larger than a prescribed critical value, the standard...... deviation of the step size is large compared to its value when the gradient is below critical. For symmetric as well as asymmetric off-axis fueling, the model is capable of producing profiles peaking at the axis. Additionally, profile consistency is obtained over a broad range of source strengths....... These results supplement recent works by van Milligen [Phys. Plasmas 11, 3787 (2004)], which applied Levy distributed step sizes in the case of supercritical gradients to obtain the up-gradient transport. (c) 2005 American Institute of Physics....
High Order Numerical Solution of Integral Transport Equation in Slab Geometry
Institute of Scientific and Technical Information of China (English)
沈智军; 袁光伟; 沈隆钧
2002-01-01
@@ There are some common numerical methods for solving neutron transport equation, which including the well-known discrete ordinates method, PN approximation and integral transport methods[1]. There exists certain singularities in the solution of transport equation near the boundary and interface[2]. It gives rise to the difficulty in the construction of high order accurate numerical methods. The numerical solution obtained by now can not attain the second order convergent accuracy[3,4].
A quasi-linear gyrokinetic transport model for tokamak plasmas
Casati, Alessandro
2012-01-01
The development of a quasi-linear gyrokinetic transport model for tokamak plasmas, ultimately designed to provide physically comprehensive predictions of the time evolution of the thermodynamic relevant quantities, is a task that requires tight links among theoretical, experimental and numerical studies. The framework of the model here proposed, which operates a reduction of complexity on the nonlinear self-organizing plasma dynamics, allows in fact multiple validations of the current understanding of the tokamak micro-turbulence. The main outcomes of this work stem from the fundamental steps involved by the formulation of such a reduced transport model, namely: (1) the verification of the quasi-linear plasma response against the nonlinearly computed solution, (2) the improvement of the turbulent saturation model through an accurate validation of the nonlinear codes against the turbulence measurements, (3) the integration of the quasi-linear model within an integrated transport solver.
Numerical solution of transport equation for applications in environmental hydraulics and hydrology
Rashidul Islam, M.; Hanif Chaudhry, M.
1997-04-01
The advective term in the one-dimensional transport equation, when numerically discretized, produces artificial diffusion. To minimize such artificial diffusion, which vanishes only for Courant number equal to unity, transport owing to advection has been modeled separately. The numerical solution of the advection equation for a Gaussian initial distribution is well established; however, large oscillations are observed when applied to an initial distribution with sleep gradients, such as trapezoidal distribution of a constituent or propagation of mass from a continuous input. In this study, the application of seven finite-difference schemes and one polynomial interpolation scheme is investigated to solve the transport equation for both Gaussian and non-Gaussian (trapezoidal) initial distributions. The results obtained from the numerical schemes are compared with the exact solutions. A constant advective velocity is assumed throughout the transport process. For a Gaussian distribution initial condition, all eight schemes give excellent results, except the Lax scheme which is diffusive. In application to the trapezoidal initial distribution, explicit finite-difference schemes prove to be superior to implicit finite-difference schemes because the latter produce large numerical oscillations near the steep gradients. The Warming-Kutler-Lomax (WKL) explicit scheme is found to be better among this group. The Hermite polynomial interpolation scheme yields the best result for a trapezoidal distribution among all eight schemes investigated. The second-order accurate schemes are sufficiently accurate for most practical problems, but the solution of unusual problems (concentration with steep gradient) requires the application of higher-order (e.g. third- and fourth-order) accurate schemes.
Uncertainty in tsunami sediment transport modeling
Jaffe, Bruce E.; Goto, Kazuhisa; Sugawara, Daisuke; Gelfenbaum, Guy R.; La Selle, SeanPaul M.
2016-01-01
Erosion and deposition from tsunamis record information about tsunami hydrodynamics and size that can be interpreted to improve tsunami hazard assessment. We explore sources and methods for quantifying uncertainty in tsunami sediment transport modeling. Uncertainty varies with tsunami, study site, available input data, sediment grain size, and model. Although uncertainty has the potential to be large, published case studies indicate that both forward and inverse tsunami sediment transport models perform well enough to be useful for deciphering tsunami characteristics, including size, from deposits. New techniques for quantifying uncertainty, such as Ensemble Kalman Filtering inversion, and more rigorous reporting of uncertainties will advance the science of tsunami sediment transport modeling. Uncertainty may be decreased with additional laboratory studies that increase our understanding of the semi-empirical parameters and physics of tsunami sediment transport, standardized benchmark tests to assess model performance, and development of hybrid modeling approaches to exploit the strengths of forward and inverse models.
Dynamic estimation of transport demand: solutions - requirements - problems
Energy Technology Data Exchange (ETDEWEB)
Beckmann, K.J.; Rindsfueser, G. [Technische Hochschule Aachen (Germany). Lehrstuhl und Inst. fuer Stadtbauwesen
1999-07-01
The following contribution presents requirements, difficulties and first attempts at modelling a temporal short interval estimation of transport demand. For the simulation of motorway traffic (for an area within the state of North-Rhine-Westfalia, NRW) methods of temporal disaggregation of existing tripmatrices have been worked out within the framework of the Northrhine-Westfalian research cooperation for traffic simulation and environmental impacts 'NRW-FVU' (Nordrhein-Westfaelischer Forschungsverbund Verkehrssimulation und Umweltwirkungen). To simulate urban traffic (example: Wuppertal) methods of estimating temporal short interval trip-matrices were conceived and tested. The matrices were supplied for microsimulation with Cellular Automat (CA) and for the dynamic route choice and traffic assignment (DRUM, Dynamische Routensuche und Umlegung). The comparison of both methods, based on the estimated link loads (ADT and hourly loads), supplies deviations ranging within the mean variation of counted values. It therefore can be inferred that these methods, which are different with regard to computing intensity and data requirements, should be used depending on the tasks and the intended precision of the results. The specific pros and cons are important operational criteria. It also becomes obvious that in future methodical advancements should be examined on the basis of activity(-chain)-based approaches. (orig.)
Flow dynamics and solute transport in unsaturated rock fractures
Energy Technology Data Exchange (ETDEWEB)
Su, Grace Woan-chee [Univ. of California, Berkeley, CA (United States)
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.
Modelling transport of graded sediment under partial transport conditions
Tuijnder, Arjan; Ribberink, Jan S.; Hulscher, Suzanne J.M.H.; Weerts, H.J.T.; Ritsema, I.L; van Os, A.G.
2006-01-01
Tentative plans are presented for research on the modelling of i) selective sediment transport in suspension and as bed-load, and ii) large-scale morphology in mixed sand-gravel bed rivers. Since the planning of the research is still in its early stages, the plans are flexible. Please feel free to
Charge-transport model for conducting polymers
Dongmin Kang, Stephen; Jeffrey Snyder, G.
2016-11-01
The growing technological importance of conducting polymers makes the fundamental understanding of their charge transport extremely important for materials and process design. Various hopping and mobility edge transport mechanisms have been proposed, but their experimental verification is limited to poor conductors. Now that advanced organic and polymer semiconductors have shown high conductivity approaching that of metals, the transport mechanism should be discernible by modelling the transport like a semiconductor with a transport edge and a transport parameter s. Here we analyse the electrical conductivity and Seebeck coefficient together and determine that most polymers (except possibly PEDOT:tosylate) have s = 3 and thermally activated conductivity, whereas s = 1 and itinerant conductivity is typically found in crystalline semiconductors and metals. The different transport in polymers may result from the percolation of charge carriers from conducting ordered regions through poorly conducting disordered regions, consistent with what has been expected from structural studies.
Analysis of the sodium recirculation theory of solute-coupled water transport in small intestine
DEFF Research Database (Denmark)
Larsen, Erik Hviid; Sørensen, Jakob Balslev; Sørensen, Jens Nørkaer
2002-01-01
permeabilities and pump constants of fluxes of water and electrolytes, volumes and ion concentrations of cell and lateral intercellular space (lis), and membrane potentials and conductances. Simulating physiological bioelectrical features together with cellular and paracellular fluxes of the sodium ion......, computations predict that the concentration differences between lis and bathing solutions are small for all three ions. Nevertheless, the diffusion fluxes of the ions out of lis significantly exceed their mass transports. It is concluded that isotonic transport requires recirculation of all three ions...... flows of water across the epithelium with recirculation of the diffusible ions maintained by a 1Na+-1K+-2Cl- cotransporter in the plasma membrane facing the serosal compartment. With intracellular non-diffusible anions and compliant plasma membranes, the model describes the dependence on membrane...
Applied Integer Programming Modeling and Solution
Chen, Der-San; Dang, Yu
2011-01-01
An accessible treatment of the modeling and solution of integer programming problems, featuring modern applications and software In order to fully comprehend the algorithms associated with integer programming, it is important to understand not only how algorithms work, but also why they work. Applied Integer Programming features a unique emphasis on this point, focusing on problem modeling and solution using commercial software. Taking an application-oriented approach, this book addresses the art and science of mathematical modeling related to the mixed integer programming (MIP) framework and
Solutions of Multi Objective Fuzzy Transportation Problems with Non-Linear Membership Functions
Directory of Open Access Journals (Sweden)
Dr. M. S. Annie Christi
2016-11-01
Full Text Available Multi-objective transportation problem with fuzzy interval numbers are considered. The solution of linear MOTP is obtained by using non-linear membership functions. The optimal compromise solution obtained is compared with the solution got by using a linear membership function. Some numerical examples are presented to illustrate this.
Transport properties in dilute UN (X ) solid solutions (X =Xe ,Kr )
Claisse, Antoine; Schuler, Thomas; Lopes, Denise Adorno; Olsson, Pär
2016-11-01
Uranium nitride (UN) is a candidate fuel for current GEN III fission reactors, for which it is investigated as an accident-tolerant fuel, as well as for future GEN IV reactors. In this study, we investigate the kinetic properties of gas fission products (Xe and Kr) in UN. Binding and migration energies are obtained using density functional theory, with an added Hubbard correlation to model f electrons, and the occupation matrix control scheme to avoid metastable states. These energies are then used as input for the self-consistent mean field method which enables to determine transport coefficients for vacancy-mediated diffusion of Xe and Kr on the U sublattice. The magnetic ordering of the UN structure is explicitly taken into account, for both energetic and transport properties. Solute diffusivities are compared with experimental measurements and the effect of various parameters on the theoretical model is carefully investigated. We find that kinetic correlations are very strong in this system, and that despite atomic migration anisotropy, macroscopic solute diffusivities show limited anisotropy. Our model indicates that the discrepancy between experimental measurements probably results from different irradiation conditions, and hence different defect concentrations.
Scaffolding Mathematical Modelling with a Solution Plan
Schukajlow, Stanislaw; Kolter, Jana; Blum, Werner
2015-01-01
In the study presented in this paper, we examined the possibility to scaffold mathematical modelling with strategies. The strategies were prompted using an instrument called "solution plan" as a scaffold. The effects of this step by step instrument on mathematical modelling competency and on self-reported strategies were tested using…
Directory of Open Access Journals (Sweden)
M. M. Potsane
2014-01-01
Full Text Available The transport of chemicals through soils to the groundwater or precipitation at the soils surfaces leads to degradation of these resources. Serious consequences may be suffered in the long run. In this paper, we consider macroscopic deterministic models describing contaminant transport in saturated soils under uniform radial water flow backgrounds. The arising convection-dispersion equation given in terms of the stream functions is analyzed using classical Lie point symmetries. A number of exotic Lie point symmetries are admitted. Group invariant solutions are classified according to the elements of the one-dimensional optimal systems. We analyzed the group invariant solutions which satisfy the physical boundary conditions.
Water, solute and heat transport in the soil: the Australian connection
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.
Green transportation logistics: the quest for win-win solutions
DEFF Research Database (Denmark)
This book examines the state of the art in green transportation logistics from the perspective of balancing environmental performance in the transportation supply chain while also satisfying traditional economic performance criteria. Part of the book is drawn from the recently completed European...... Union project Super Green, a three-year project intended to promote the development of European freight corridors in an environmentally friendly manner. Additional chapters cover both the methodological base and the application context of green transportation logistics. Individual chapters look......-down, pop-up”, where in a change in one aspect of a problem can cause another troubling aspect to arise. For example, speed reduction in maritime transportation can reduce emissions and fuel costs, but could require additional ships and could raise in-transit inventory costs. Or, regulations to reduce...
UrbanTransport Solution An Experience From Prague
African Journals Online (AJOL)
unique firstlady
upsurge in the use of private cars which was not possible during ... associated with road transport like its impact on environment, accidents, congestion, but these are ... struggling with huge increase in car ownership and use. Roadway ...
Gowrishankar, T R; Stewart, Donald A; Martin, Gregory T; Weaver, James C
2004-11-17
Investigation of bioheat transfer problems requires the evaluation of temporal and spatial distributions of temperature. This class of problems has been traditionally addressed using the Pennes bioheat equation. Transport of heat by conduction, and by temperature-dependent, spatially heterogeneous blood perfusion is modeled here using a transport lattice approach. We represent heat transport processes by using a lattice that represents the Pennes bioheat equation in perfused tissues, and diffusion in nonperfused regions. The three layer skin model has a nonperfused viable epidermis, and deeper regions of dermis and subcutaneous tissue with perfusion that is constant or temperature-dependent. Two cases are considered: (1) surface contact heating and (2) spatially distributed heating. The model is relevant to the prediction of the transient and steady state temperature rise for different methods of power deposition within the skin. Accumulated thermal damage is estimated by using an Arrhenius type rate equation at locations where viable tissue temperature exceeds 42 degrees C. Prediction of spatial temperature distributions is also illustrated with a two-dimensional model of skin created from a histological image. The transport lattice approach was validated by comparison with an analytical solution for a slab with homogeneous thermal properties and spatially distributed uniform sink held at constant temperatures at the ends. For typical transcutaneous blood gas sensing conditions the estimated damage is small, even with prolonged skin contact to a 45 degrees C surface. Spatial heterogeneity in skin thermal properties leads to a non-uniform temperature distribution during a 10 GHz electromagnetic field exposure. A realistic two-dimensional model of the skin shows that tissue heterogeneity does not lead to a significant local temperature increase when heated by a hot wire tip. The heat transport system model of the skin was solved by exploiting the mathematical
Directory of Open Access Journals (Sweden)
Martin Gregory T
2004-11-01
Full Text Available Abstract Background Investigation of bioheat transfer problems requires the evaluation of temporal and spatial distributions of temperature. This class of problems has been traditionally addressed using the Pennes bioheat equation. Transport of heat by conduction, and by temperature-dependent, spatially heterogeneous blood perfusion is modeled here using a transport lattice approach. Methods We represent heat transport processes by using a lattice that represents the Pennes bioheat equation in perfused tissues, and diffusion in nonperfused regions. The three layer skin model has a nonperfused viable epidermis, and deeper regions of dermis and subcutaneous tissue with perfusion that is constant or temperature-dependent. Two cases are considered: (1 surface contact heating and (2 spatially distributed heating. The model is relevant to the prediction of the transient and steady state temperature rise for different methods of power deposition within the skin. Accumulated thermal damage is estimated by using an Arrhenius type rate equation at locations where viable tissue temperature exceeds 42°C. Prediction of spatial temperature distributions is also illustrated with a two-dimensional model of skin created from a histological image. Results The transport lattice approach was validated by comparison with an analytical solution for a slab with homogeneous thermal properties and spatially distributed uniform sink held at constant temperatures at the ends. For typical transcutaneous blood gas sensing conditions the estimated damage is small, even with prolonged skin contact to a 45°C surface. Spatial heterogeneity in skin thermal properties leads to a non-uniform temperature distribution during a 10 GHz electromagnetic field exposure. A realistic two-dimensional model of the skin shows that tissue heterogeneity does not lead to a significant local temperature increase when heated by a hot wire tip. Conclusions The heat transport system model of the
Phosphate transporters: a tale of two solute carrier families.
Virkki, Leila V; Biber, Jürg; Murer, Heini; Forster, Ian C
2007-09-01
Phosphate is an essential component of life and must be actively transported into cells against its electrochemical gradient. In vertebrates, two unrelated families of Na+ -dependent P(i) transporters carry out this task. Remarkably, the two families transport different P(i) species: whereas type II Na+/P(i) cotransporters (SCL34) prefer divalent HPO(4)(2-), type III Na(+)/P(i) cotransporters (SLC20) transport monovalent H2PO(4)(-). The SCL34 family comprises both electrogenic and electroneutral members that are expressed in various epithelia and other polarized cells. Through regulated activity in apical membranes of the gut and kidney, they maintain body P(i) homeostasis, and in salivary and mammary glands, liver, and testes they play a role in modulating the P(i) content of luminal fluids. The two SLC20 family members PiT-1 and PiT-2 are electrogenic and ubiquitously expressed and may serve a housekeeping role for cell P(i) homeostasis; however, also more specific roles are emerging for these transporters in, for example, bone mineralization. In this review, we focus on recent advances in the characterization of the transport kinetics, structure-function relationships, and physiological implications of having two distinct Na+/P(i) cotransporter families.
Hunt, Allen G; Ghanbarian, Behzad
2013-01-01
We apply our theory of conservative solute transport, based on concepts from percolation theory, directly and without modification to reactive solute transport. This theory has previously been shown to predict the observed range of dispersivity values for conservative solute transport over ten orders of magnitude of length scale. We now show that the temporal dependence derived for the solute velocity accurately predicts the time-dependence for the weathering of silicate minerals over nine orders of magnitude of time scale, while its predicted length dependence agrees with data obtained for reaction rates over five orders of magnitude of length scale. In both cases, it is possible to unify lab and field results. Thus, net reaction rates appear to be limited by solute transport velocities. We suggest the possible relevance of our results to landscape evolution of the earth's terrestrial surface.
Shen, Meng; Lueptow, Richard M
2016-01-01
The Angstrom-scale transport characteristics of water and six different solutes, methanol, ethanol, 2-propanol, urea, Na+, and Cl-, were studied for a polyamide reverse osmosis (RO) membrane, FT-30, using non-equilibrium molecular dynamics (NEMD) simulations. Results indicate that water transport increases with an increasing fraction of connected percolated free volume, or water-accessible open space, in the membrane polymer structure. This free volume is enhanced by the dynamic structure of the membrane at the molecular level as it swells when hydrated and vibrates due to molecular collisions allowing a continuous path connecting the opposite membrane surfaces. The tortuous paths available for transport of solutes result in Brownian motion of solute molecules and hopping from pore to pore as they pass through the polymer network structure of the membrane. The transport of alcohol solutes decreases for solutes with larger Van der Waals volume, which corresponds to less available percolated free volume, or sol...
Polar auxin transport: models and mechanisms
Berkel, van K.; Boer, de R.J.; Scheres, B.; Tusscher, ten K.
2013-01-01
Spatial patterns of the hormone auxin are important drivers of plant development. The observed feedback between the active, directed transport that generates auxin patterns and the auxin distribution that influences transport orientation has rendered this a popular subject for modelling studies. Her
Benchmark solutions for transport in d-dimensional Markov binary mixtures
Larmier, Coline; Hugot, François-Xavier; Malvagi, Fausto; Mazzolo, Alain; Zoia, Andrea
2017-03-01
Linear particle transport in stochastic media is key to such relevant applications as neutron diffusion in randomly mixed immiscible materials, light propagation through engineered optical materials, and inertial confinement fusion, only to name a few. We extend the pioneering work by Adams, Larsen and Pomraning [1] (recently revisited by Brantley [2]) by considering a series of benchmark configurations for mono-energetic and isotropic transport through Markov binary mixtures in dimension d. The stochastic media are generated by resorting to Poisson random tessellations in 1 d slab, 2 d extruded, and full 3 d geometry. For each realization, particle transport is performed by resorting to the Monte Carlo simulation. The distributions of the transmission and reflection coefficients on the free surfaces of the geometry are subsequently estimated, and the average values over the ensemble of realizations are computed. Reference solutions for the benchmark have never been provided before for two- and three-dimensional Poisson tessellations, and the results presented in this paper might thus be useful in order to validate fast but approximated models for particle transport in Markov stochastic media, such as the celebrated Chord Length Sampling algorithm.
Exact solution of phantom dark energy model
Institute of Scientific and Technical Information of China (English)
Wang Wen-Fu; Shui Zheng-Wei; Tang Bin
2010-01-01
We investigate the phantom dark energy model derived from the scalar field with a negative kinetic term. By assuming a particular relation between the time derivative of the phantom field and the Hubble function, an exact solution of the model is constructed. Absence of the 'big rip' singularity is shown explicitly. We then derive special features of phantom dark energy model and show that its predictions are consistent with all astrophysical observations.
Modeling Reactive Transport in Coupled Groundwater-Conduit Systems
Spiessl, S. M.; Sauter, M.; Zheng, C.; Viswanathan, H. S.
2002-05-01
Modeling reactive transport in coupled groundwater-conduit systems requires consideration of two transport time scales in the flow and transport models. Consider for example a subsurface mine consisting of a network of highly conductive shafts, drifts or ventilation raises (i.e., conduits) within the considerably less permeable ore material (i.e., matrix). In the conduits, potential contaminants can travel much more rapidly than in the background aquifer (matrix). Since conduits cannot necessarily be regarded as a continuum, double continuum models are only of limited use for simulation of contaminant transport in such coupled groundwater-conduit systems. This study utilizes a "hybrid" flow and transport model in which contaminants can in essence be transported at a slower time scale in the matrix and at a faster time scale in the conduits. The hybrid flow model uses an approach developed by Clemens et al. (1996), which is based on the modelling of flow in a discrete pipe network, coupled to a continuum representing the low-permeability inter-conduit matrix blocks. Laminar or turbulent flow can be simulated in the different pipes depending on the flow conditions in the model domain. The three-dimensional finite-difference groundwater flow model MODFLOW (Harbaugh and McDonald, 1996) is used to simulate flow in the continuum. Contaminant transport within the matrix is simulated with a continuum approach using the three-dimensional multi-species solute transport model MT3DMS (Zheng and Wang, 1999), while that in the conduit system is simulated with a one-dimensional advective transport model. As a first step for reactive transport modeling in such systems, only equilibrium reactions among multiple species are considered by coupling the hybrid transport model to a geochemical speciation package. An idealized mine network developed by Viswanathan and Sauter (2001) is used as a test problem in this study. The numerical experiment is based on reference date collected from
Concept Layout Model of Transportation Terminals
Directory of Open Access Journals (Sweden)
Li-ya Yao
2012-01-01
Full Text Available Transportation terminal is the key node in transport systems. Efficient terminals can improve operation of passenger transportation networks, adjust the layout of public transportation networks, provide a passenger guidance system, and regulate the development of commercial forms, as well as optimize the assembly and distribution of modern logistic modes, among others. This study aims to clarify the relationship between the function and the structure of transportation terminals and establish the function layout design. The mapping mechanism of demand, function, and structure was analyzed, and a quantitative relationship between function and structure was obtained from a design perspective. Passenger demand and terminal structure were decomposed into several demand units and structural elements following the principle of reverse engineering. The relationship maps between these two kinds of elements were then analyzed. Function-oriented concept layout model of transportation terminals was established using the previous method. Thus, a technique in planning and design of transportation structures was proposed. Meaningful results were obtained from the optimization of transportation terminal facilities, which guide the design of the functional layout of transportation terminals and improve the development of urban passenger transportation systems.
Solute or Heat Transport in a Flat Duct
Directory of Open Access Journals (Sweden)
Elijah Johnson
2008-01-01
Full Text Available Steady state solute and heat transfer for laminar flow in a flat duct has been widely studied[1-4]. The same problem in a circular tube is called the Graetz Problem[5,6]. The transfer rate of solute and heat from fluids is of importance in a number of processes, such as diffusion of drugs in the blood stream and the uptake of environmental contaminants by animals in aquatic media[7]. In this study the rate of solute or heat transfer from fluids was determined by solving the associated differential equation. Solution by the series approach in the complex plane was used with a series that had a gaussian factor. The eigenfunctions and eigenvalues involved were examined for two different sets of boundary conditions.
Soltanian, Mohamad Reza; Dai, Zhenxue; Huang, Chaocheng
2014-01-01
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...
Cui, Yi-an; Liu, Lanbo; Zhu, Xiaoxiong
2017-08-01
Monitoring the extent and evolution of contaminant plumes in local and regional groundwater systems from existing landfills is critical in contamination control and remediation. The self-potential survey is an efficient and economical nondestructive geophysical technique that can be used to investigate underground contaminant plumes. Based on the unscented transform, we have built a Kalman filtering cycle to conduct time-lapse data assimilation for monitoring the transport of solute based on the solute transport experiment using a bench-scale physical model. The data assimilation was formed by modeling the evolution based on the random walk model and observation correcting based on the self-potential forward. Thus, monitoring self-potential data can be inverted by the data assimilation technique. As a result, we can reconstruct the dynamic process of the contaminant plume instead of using traditional frame-to-frame static inversion, which may cause inversion artifacts. The data assimilation inversion algorithm was evaluated through noise-added synthetic time-lapse self-potential data. The result of the numerical experiment shows validity, accuracy and tolerance to the noise of the dynamic inversion. To validate the proposed algorithm, we conducted a scaled-down sandbox self-potential observation experiment to generate time-lapse data that closely mimics the real-world contaminant monitoring setup. The results of physical experiments support the idea that the data assimilation method is a potentially useful approach for characterizing the transport of contamination plumes using the unscented Kalman filter (UKF) data assimilation technique applied to field time-lapse self-potential data.
Light-driven solute transport in Halobacterium halobium
Lanyi, J. K.
1979-01-01
The cell membrane of Halobacterium halobium exhibits differential regions which contain crystalline arrays of a single kind of protein, termed bacteriorhodopsin. This bacterial retinal-protein complex resembles the visual pigment and, after the absorption of protons, translocates H(+) across the cell membrane, leading to an electrochemical gradient for protons between the inside and the outside of the cell. Thus, light is an alternate source of energy in these bacteria, in addition to terminal oxidation. The paper deals with work on light-driven transport in H. halobium with cell envelope vesicles. The discussion covers light-driven movements of H(+), Na(+), and K(+); light-driven amino acid transport; and apparent allosteric control of amino acid transport. The scheme of energy coupling in H. halobium vesicles appears simple, its quantitative details are quite complex and reveal regulatory phenomena. More knowledge is required of the way the coupling components are regulated by the ion gradients present.
Sanskrityayn, Abhishek; Suk, Heejun; Kumar, Naveen
2017-04-01
In this study, analytical solutions of one-dimensional pollutant transport originating from instantaneous and continuous point sources were developed in groundwater and riverine flow using both Green's Function Method (GFM) and pertinent coordinate transformation method. Dispersion coefficient and flow velocity are considered spatially and temporally dependent. The spatial dependence of the velocity is linear, non-homogeneous and that of dispersion coefficient is square of that of velocity, while the temporal dependence is considered linear, exponentially and asymptotically decelerating and accelerating. Our proposed analytical solutions are derived for three different situations depending on variations of dispersion coefficient and velocity, respectively which can represent real physical processes occurring in groundwater and riverine systems. First case refers to steady solute transport situation in steady flow in which dispersion coefficient and velocity are only spatially dependent. The second case represents transient solute transport in steady flow in which dispersion coefficient is spatially and temporally dependent while the velocity is spatially dependent. Finally, the third case indicates transient solute transport in unsteady flow in which both dispersion coefficient and velocity are spatially and temporally dependent. The present paper demonstrates the concentration distribution behavior from a point source in realistically occurring flow domains of hydrological systems including groundwater and riverine water in which the dispersivity of pollutant's mass is affected by heterogeneity of the medium as well as by other factors like velocity fluctuations, while velocity is influenced by water table slope and recharge rate. Such capabilities give the proposed method's superiority about application of various hydrological problems to be solved over other previously existing analytical solutions. Especially, to author's knowledge, any other solution doesn
Boltzmann Transport in Hybrid PIC HET Modeling
2015-07-01
Paper 3. DATES COVERED (From - To) July 2015-July 2015 4. TITLE AND SUBTITLE Boltzmann transport in hybrid PIC HET modeling 5a. CONTRACT NUMBER In...produced a variety of self-consistent electron swarm codes, such as the Magboltz code, focused on directly solving the steady Boltzmann trans-port...Std. 239.18 Boltzmann transport in hybrid PIC HET modeling IEPC-2015- /ISTS-2015-b- Presented at Joint Conference of 30th International
Concentration statistics of solute transport for the near field zone of an estuary
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.
Computer-based modelling and optimization in transportation
Rossi, Riccardo
2014-01-01
This volume brings together works resulting from research carried out by members of the EURO Working Group on Transportation (EWGT) and presented during meetings and workshops organized by the Group under the patronage of the Association of European Operational Research Societies in 2012 and 2013. The main targets of the EWGT include providing a forum to share research information and experience, encouraging joint research and the development of both theoretical methods and applications, and promoting cooperation among the many institutions and organizations which are leaders at national level in the field of transportation and logistics. The primary fields of interest concern operational research methods, mathematical models and computation algorithms, to solve and sustain solutions to problems mainly faced by public administrations, city authorities, public transport companies, service providers and logistic operators. Related areas of interest are: land use and transportation planning, traffic control and ...
Hydrologic modeling of pathogen fate and transport.
Dorner, Sarah M; Anderson, William B; Slawson, Robin M; Kouwen, Nicholas; Huck, Peter M
2006-08-01
A watershed-scale fate and transport model has been developed for Escherichia coli and several waterborne pathogens: Cryptosporidiumspp., Giardiaspp., Campylobacter spp, and E. coli O157:H7. The objectives were to determine the primary sources of pathogenic contamination in a watershed used for drinking water supply and to gain a greater understanding of the factors that most influence their survival and transport. To predict the levels of indicator bacteria and pathogens in surface water, an existing hydrologic model, WATFLOOD, was augmented for pathogen transport and tested on a watershed in Southwestern Ontario, Canada. The pathogen model considered transport as a result of overland flow, subsurface flow to tile drainage systems, and in-stream routing. The model predicted that most microorganisms entering the stream from land-based sources enter the stream from tile drainage systems rather than overland transport. Although the model predicted overland transport to be rare, when it occurred, it corresponded to the highest observed and modeled microbial concentrations. Furthermore, rapid increases in measured E. coli concentrations during storm events suggested that the resuspension of microorganisms from stream sediments may be of equal or greater importance than land-based sources of pathogens.
Computational modelling flow and transport
Stelling, G.S.; Booij, N.
1999-01-01
Lecture notes CT wa4340. Derivation of equations using balance principles; numerical treatment of ordinary differential equations; time dependent partial differential equations; the strucure of a computer model:DUFLO; usage of numerical models.
Numerical Solution of the Equation of Electron Transport in Matter
Golovin, A I
2002-01-01
One introduces a numerical approach to solve equation of fast electron transport in a matter in plane and spherical geometry with regard to fluctuations of energy losses and generation of secondary electrons. Calculation results are shown to be in line with the experimental data. One compared the introduced approach with the method of moments
Mathematical modeling of BTX: biotransformation and transport in the subsurface.
Abriola, L M; Chen, Y M
1995-06-01
A two-dimensional compositional model is presented; this model describes the transport and biotransformation of organic contaminants in a variably saturated subsurface environment. Modeled processes included mass exchange between constituent phases (water, air, soil, and organisms), advective and dispersive fluxes in the water phase, diffusive flux in the air phase, and biotransformation and biomass production in the biophase. In this model, solute transfer across air/water and water/solid interfaces is modeled using equilibrium relationships. Rate-limited mass transfer between the water and biophases is described with a linear driving force expression. Microbial degradation and biomass net growth are modeled by Monod-type kinetics. Solute transport and microbial growth equations are solved using an iterative Galerkin finite element method with a variable time-weighting scheme. Coupled biophase mass balance equations for each component are solved with a Newton-Raphson iterative scheme. Model capabilities are illustrated with two-dimensional, cross-sectional simulations of natural bioattenuation. The influence of biotransformation processes on the transport and extent of a toluene plume is examined.
Transport of Solar Wind Fluctuations: A Two-Component Model
Oughton, S.; Matthaeus, W. H.; Smith, C. W.; Breech, B.; Isenberg, P. A.
2011-01-01
We present a new model for the transport of solar wind fluctuations which treats them as two interacting incompressible components: quasi-two-dimensional turbulence and a wave-like piece. Quantities solved for include the energy, cross helicity, and characteristic transverse length scale of each component, plus the proton temperature. The development of the model is outlined and numerical solutions are compared with spacecraft observations. Compared to previous single-component models, this new model incorporates a more physically realistic treatment of fluctuations induced by pickup ions and yields improved agreement with observed values of the correlation length, while maintaining good observational accord with the energy, cross helicity, and temperature.
Large eddy simulation of turbulence and solute transport in a forested headwater stream
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.
Molecular model of the neural dopamine transporter
Ravna, Aina Westrheim; Sylte, Ingebrigt; Dahl, Svein G.
2003-05-01
The dopamine transporter (DAT) regulates the action of dopamine by reuptake of the neurotransmitter into presynaptic neurons, and is the main molecular target of amphetamines and cocaine. DAT and the Na+/H+ antiporter (NhaA) are secondary transporter proteins that carry small molecules across a cell membrane against a concentration gradient, using ion gradients as energy source. A 3-dimensional projection map of the E. coli NhaA has confirmed a topology of 12 membrane spanning domains, and was previously used to construct a 3-dimensional NhaA model with 12 trans-membrane α-helices (TMHs). The NhaA model, and site directed mutagenesis data on DAT, were used to construct a detailed 3-dimensional DAT model using interactive molecular graphics and empiric force field calculations. The model proposes a dopamine transport mechanism involving TMHs 1, 3, 4, 5, 7 and 11. Asp79, Tyr252 and Tyr274 were the primary cocaine binding residues. Binding of cocaine or its analogue, (-)-2β-carbomethoxy-3β-(4-fluorophenyl)tropane (CFT), seemed to lock the transporter in an inactive state, and thus inhibit dopamine transport. The present model may be used to design further experimental studies of the molecular structure and mechanisms of DAT and other secondary transporter proteins.
Solute transport in a well under slow-purge and no-purge conditions
Plummer, M. A.; Britt, S. L.; Martin-Hayden, J. M.
2010-12-01
than when vertical flow velocities are assumed uniform. The second study was conducted to explain results of a recent laboratory experiment (Britt, 2005) that indicated that vertical transport of solute in a well, perpendicular to the groundwater flow direction, can be much faster than horizontal advection and that a solute may also mix rapidly in the direction opposite its net buoyant force. We replicate much of the vertical mixing simply by incorporating the Boussinesq approximation in the incompressible Navier Stokes equations, and offer several possible explanations for the latter behavior. The third study examines the thermally driven free convection in a well through comparison of numerical model simulations with detailed temperature measurements from inside and outside a pipe installed in shallow groundwater. Such studies are useful because the dimensionless numbers that indicate when onset of free convection should occur do not provide information about the scale or magnitude of that convection, and thus do not aid in estimating effects on solute redistribution. Finally, we discuss the implications of these results for interpretation of groundwater sampling data and provide recommendations for passive and low-flow groundwater sampling methods.
Uncertainty calculation in transport models and forecasts
DEFF Research Database (Denmark)
Manzo, Stefano; Prato, Carlo Giacomo
in a four-stage transport model related to different variable distributions (to be used in a Monte Carlo simulation procedure), assignment procedures and levels of congestion, at both the link and the network level. The analysis used as case study the Næstved model, referring to the Danish town of Næstved2...... the uncertainty propagation pattern over time specific for key model outputs becomes strategically important. 1 Manzo, S., Nielsen, O. A. & Prato, C. G. (2014). The Effects of uncertainty in speed-flow curve parameters on a large-scale model. Transportation Research Record, 1, 30-37. 2 Manzo, S., Nielsen, O. A...
Cho, Kyu-Hyang; Do, Jun-Young; Park, Jong-Won; Yoon, Kyung-Woo; Kim, Yong-Lim
2013-01-01
Several studies have reported benefits for human peritoneal mesothelial cell function of a neutral-pH dialysate low in glucose degradation products (GDPs). However, the effects of low-GDP solution on ultrafiltration (UF), transport of solutes, and control of body water remain elusive. We therefore investigated the effect of low-GDP solution on UF, solute transport, and control of body water. Among 79 new continuous ambulatory peritoneal dialysis (CAPD) patients, 60 completed a 12-month protocol (28 in a lactate-based high-GDP solution group, 32 in a lactate-based low-GDP solution group). Clinical indices--including 24-hour UF volume (UFV), 24-hour urine volume (UV), residual renal function, and dialysis adequacy--were measured at months 1, 6, and 12. At months 1, 6, and 12, UFV, glucose absorption, 4-hour dialysate-to-plasma (D/P) creatinine, and 1-hour D/P Na(+) were assessed during a modified 4.25% peritoneal equilibration test (PET). Body composition by bioelectric impedance analysis was measured at months 1 and 12 in 26 CAPD patients. Daily UFV was lower in the low-GDP group. Despite similar solute transport and aquaporin function, the low-GDP group also showed lower UFV and higher glucose absorption during the PET. Factors associated with UFV during the PET were lactate-based high-GDP solution and 1-hour D/P Na(+). No differences in volume status and obesity at month 12 were observed, and improvements in hypervolemia were equal in both groups. Compared with the high-GDP group, the low-GDP group had a lower UFV during a PET and a lower daily UFV during the first year after peritoneal dialysis initiation. Although the low-GDP group had a lower daily UFV, no difficulties in controlling edema were encountered.
A computational approach to calculate the heat of transport of aqueous solutions
Di Lecce, Silvia; Albrecht, Tim; Bresme, Fernando
2017-01-01
Thermal gradients induce concentration gradients in alkali halide solutions, and the salt migrates towards hot or cold regions depending on the average temperature of the solution. This effect has been interpreted using the heat of transport, which provides a route to rationalize thermophoretic phenomena. Early theories provide estimates of the heat of transport at infinite dilution. These values are used to interpret thermodiffusion (Soret) and thermoelectric (Seebeck) effects. However, accessing heats of transport of individual ions at finite concentration remains an outstanding question both theoretically and experimentally. Here we discuss a computational approach to calculate heats of transport of aqueous solutions at finite concentrations, and apply our method to study lithium chloride solutions at concentrations >0.5 M. The heats of transport are significantly different for Li+ and Cl− ions, unlike what is expected at infinite dilution. We find theoretical evidence for the existence of minima in the Soret coefficient of LiCl, where the magnitude of the heat of transport is maximized. The Seebeck coefficient obtained from the ionic heats of transport varies significantly with temperature and concentration. We identify thermodynamic conditions leading to a maximization of the thermoelectric response of aqueous solutions.
Core 2D. A code for non-isothermal water flow and reactive solute transport. Users manual version 2
Energy Technology Data Exchange (ETDEWEB)
Samper, J.; Juncosa, R.; Delgado, J.; Montenegro, L. [Universidad de A Coruna (Spain)
2000-07-01
Understanding natural groundwater quality patterns, quantifying groundwater pollution and assessing the effects of waste disposal, require modeling tools accounting for water flow, and transport of heat and dissolved species as well as their complex interactions with solid and gases phases. This report contains the users manual of CORE ''2D Version V.2.0, a COde for modeling water flow (saturated and unsaturated), heat transport and multicomponent Reactive solute transport under both local chemical equilibrium and kinetic conditions. it is an updated and improved version of CORE-LE-2D V0 (Samper et al., 1988) which in turns is an extended version of TRANQUI, a previous reactive transport code (ENRESA, 1995). All these codes were developed within the context of Research Projects funded by ENRESA and the European Commission. (Author)
Measurements and models of reactive transport in geological media
Berkowitz, Brian; Dror, Ishai; Hansen, Scott K.; Scher, Harvey
2016-12-01
Reactive chemical transport plays a key role in geological media across scales, from pore scale to aquifer scale. Systems can be altered by changes in solution chemistry and a wide variety of chemical transformations, including precipitation/dissolution reactions that cause feedbacks that directly affect the flow and transport regime. The combination of these processes with advective-dispersive-diffusive transport in heterogeneous media leads to a rich spectrum of complex dynamics. The principal challenge in modeling reactive transport is to account for the subtle effects of fluctuations in the flow field and species concentrations; spatial or temporal averaging generally suppresses these effects. Moreover, it is critical to ground model conceptualizations and test model outputs against laboratory experiments and field measurements. This review emphasizes the integration of these aspects, considering carefully designed and controlled experiments at both laboratory and field scales, in the context of development and solution of reactive transport models based on continuum-scale and particle tracking approaches. We first discuss laboratory experiments and field measurements that define the scope of the phenomena and provide data for model comparison. We continue by surveying models involving advection-dispersion-reaction equation and continuous time random walk formulations. The integration of measurements and models is then examined, considering a series of case studies in different frameworks. We delineate the underlying assumptions, and strengths and weaknesses, of these analyses, and the role of probabilistic effects. We also show the key importance of quantifying the spreading and mixing of reactive species, recognizing the role of small-scale physical and chemical fluctuations that control the initiation of reactions.
A note on the solution of fuzzy transportation problem using fuzzy linear system
Directory of Open Access Journals (Sweden)
P. Senthilkumar
2013-08-01
Full Text Available In this paper, we discuss the solution of a fuzzy transportation problem, with fuzzy quantities. The problem is solved in two stages. In the first stage, the fuzzy transportation problem is reduced to crisp system by using the lower and upper bounds of fuzzy quantities. In the second stage, the crisp transportation problems are solved by usual simplex method. The procedure is illustrated with numerical examples.
Subdaily Earth rotation model and GPS solutions
Panafidina, Natalia; Hugentobler, Urs; Seitz, Manuela
2014-05-01
In this contribution we study the influence of the subdaily Earth rotation model on the GPS solution including station coordinates, satellite orbits and daily Earth rotation parameters (ERPs). The approach used is based on the transformation of GPS normal equation systems: free daily normal equations containing ERPs with 1-hour resolution are used as input data, in this case the high-frequency ERPs can be transformed into tidal terms which then can be fixed to new a priori values, thus changing implicitly the underlying subdaily Earth rotation model. To study the influence of individual tidal terms on the solution we successively changed a priori values for one tidal term in polar motion and compared the resulting solutions for GPS orbits, station coordinates and daily ERPs for a time interval of 13 years. The comparison reveals periodic changes in all estimated parameters with periods depending on the periods of the changed tidal terms. The dynamical reference frame realized by the GPS orbits is also affected: the whole satellite constellation shows periodic orientation variations, and each individual satellite shows periodic changes in the position of the orbit origin. We present a mechanism showing how errors in the subdaily Earth rotation model are propagated into the dynamical reference frame and the estimated parameters. Our model represents a change in one tidal term over one day as the sum of a prograde diurnal wave, a retrograde diurnal wave and an offset and linear drift in x- and y-pole. We demonstrate that this simple model, in conjunction with appropriate constraints, can explain well the observed variations in a one day GPS solution as well as in daily pole rates caused by changes in the subdaily Earth rotation model.
Real time model for public transportation management
Directory of Open Access Journals (Sweden)
Ireneusz Celiński
2014-03-01
Full Text Available Background: The article outlines managing a public transportation fleet in the dynamic aspect. There are currently many technical possibilities of identifying demand in the transportation network. It is also possible to indicate legitimate basis of estimating and steering demand. The article describes a general public transportation fleet management concept based on balancing demand and supply. Material and methods: The presented method utilizes a matrix description of demand for transportation based on telemetric and telecommunication data. Emphasis was placed mainly on a general concept and not the manner in which data was collected by other researchers. Results: The above model gave results in the form of a system for managing a fleet in real-time. The objective of the system is also to optimally utilize means of transportation at the disposal of service providers. Conclusions: The presented concept enables a new perspective on managing public transportation fleets. In case of implementation, the project would facilitate, among others, designing dynamic timetables, updated based on observed demand, and even designing dynamic points of access to public transportation lines. Further research should encompass so-called rerouting based on dynamic measurements of the characteristics of the transportation system.
The Fourier transform solution for the Green's function of monoenergetic neutron transport theory
Ganapol, Barry D.
2014-01-01
Nearly 45 years ago, Ken Case published his seminal paper on the singular eigenfunction solution for the Green's function of the monoenergetic neutron transport equation with isotropic scattering. Previously, the solution had been obtained by Fourier transform. While it is apparent the two had to be equivalent, a convincing equivalence proof for general anisotropic scattering remained a challenge until now.
Jiménez Jaramillo, M. A.; Camacho Botero, L. A.; Vélez Upegui, J. I.
2010-12-01
Variation in stream morphology along a basin drainage network leads to different hydraulic patterns and sediment transport processes. Moreover, solute transport processes along streams, and stream habitats for fisheries and microorganisms, rely on stream corridor structure, including elements such as bed forms, channel patterns, riparian vegetation, and the floodplain. In this work solute transport processes simulation and stream habitat identification are carried out at the basin scale. A reach-scale morphological classification system based on channel slope and specific stream power was implemented by using digital elevation models and hydraulic geometry relationships. Although the morphological framework allows identification of cascade, step-pool, plane bed and pool-riffle morphologies along the drainage network, it still does not account for floodplain configuration and bed-forms identification of those channel types. Hence, as a first application case in order to obtain parsimonious three-dimensional characterizations of drainage channels, the morphological framework has been updated by including topographical floodplain delimitation through a Multi-resolution Valley Bottom Flatness Index assessing, and a stochastic bed form representation of the step-pool morphology. Model outcomes were tested in relation to in-stream water storage for different flow conditions and representative travel times according to the Aggregated Dead Zone -ADZ- model conceptualization of solute transport processes.
Structure and aggregation in model tetramethylurea solutions
Energy Technology Data Exchange (ETDEWEB)
Gupta, Rini; Patey, G. N., E-mail: patey@chem.ubc.ca [Department of Chemistry, University of British Columbia, Vancouver, British Columbia V6T 1Z1 (Canada)
2014-08-14
The structure of model aqueous tetramethylurea (TMU) solutions is investigated employing large-scale (32 000, 64 000 particles) molecular dynamics simulations. Results are reported for TMU mole fractions, X{sub t}, ranging from infinite dilution up to 0.07, and for two temperatures, 300 and 330 K. Two existing force fields for TMU-water solutions are considered. These are the GROMOS 53A6 united-atom TMU model combined with SPC/E water [TMU(GROMOS-UA)/W(SPC/E)], and the more frequently employed AMBER03 all-atom force field for TMU combined with the TIP3P water model [TMU(AMBER-AA)/W(TIP3P)]. It is shown that TMU has a tendency towards aggregation for both models considered, but the tendency is significantly stronger for the [TMU(AMBER-AA)/W(TIP3P)] force field. For this model signs of aggregation are detected at X{sub t} = 0.005, aggregation is a well established feature of the solution at X{sub t} = 0.02, and the aggregates increase further in size with increasing concentration. This is in agreement with at least some experimental studies, which report signals of aggregation in the low concentration regime. The TMU aggregates exhibit little structure and are simply loosely ordered, TMU-rich regions of solution. The [TMU(GROMOS-UA)/W(SPC/E)] model shows strong signs of aggregation only at higher concentrations (X{sub t} ≳ 0.04), and the aggregates appear more loosely ordered, and less well-defined than those occurring in the [TMU(AMBER-AA)/W(TIP3P)] system. For both models, TMU aggregation increases when the temperature is increased from 300 to 330 K, consistent with an underlying entropy driven, hydrophobic interaction mechanism. At X{sub t} = 0.07, the extra-molecular correlation length expected for microheterogeneous solutions has become comparable with the size of the simulation cell for both models considered, indicating that even the systems simulated here are sufficiently large only at low concentrations.
System Convergence in Transport Modelling
DEFF Research Database (Denmark)
Rich, Jeppe; Nielsen, Otto Anker; Cantarella, Guilio E.
2010-01-01
-of-successive-averages (MSA) have been proposed. Convergence of the MSA under fairly weak regularity conditions was shown in Robbins and Monro (1951). The iteration between demand and assignment ? the external equilibrium ? are in many models either decoupled or follow a very simple iteration pattern. However, as demand...
Modeling the Quiet Time Outflow Solution in the Polar Cap
Glocer, Alex
2011-01-01
We use the Polar Wind Outflow Model (PWOM) to study the geomagnetically quiet conditions in the polar cap during solar maximum, The PWOM solves the gyrotropic transport equations for O(+), H(+), and He(+) along several magnetic field lines in the polar region in order to reconstruct the full 3D solution. We directly compare our simulation results to the data based empirical model of Kitamura et al. [2011] of electron density, which is based on 63 months of Akebono satellite observations. The modeled ion and electron temperatures are also compared with a statistical compilation of quiet time data obtained by the EISCAT Svalbard Radar (ESR) and Intercosmos Satellites (Kitamura et al. [2011]). The data and model agree reasonably well. This study shows that photoelectrons play an important role in explaining the differences between sunlit and dark results, ion composition, as well as ion and electron temperatures of the quiet time polar wind solution. Moreover, these results provide validation of the PWOM's ability to model the quiet time ((background" solution.
Zhang, Kejiang; Achari, Gopal; Li, Hua
2009-11-01
Traditionally, uncertainty in parameters are represented as probabilistic distributions and incorporated into groundwater flow and contaminant transport models. With the advent of newer uncertainty theories, it is now understood that stochastic methods cannot properly represent non random uncertainties. In the groundwater flow and contaminant transport equations, uncertainty in some parameters may be random, whereas those of others may be non random. The objective of this paper is to develop a fuzzy-stochastic partial differential equation (FSPDE) model to simulate conditions where both random and non random uncertainties are involved in groundwater flow and solute transport. Three potential solution techniques namely, (a) transforming a probability distribution to a possibility distribution (Method I) then a FSPDE becomes a fuzzy partial differential equation (FPDE), (b) transforming a possibility distribution to a probability distribution (Method II) and then a FSPDE becomes a stochastic partial differential equation (SPDE), and (c) the combination of Monte Carlo methods and FPDE solution techniques (Method III) are proposed and compared. The effects of these three methods on the predictive results are investigated by using two case studies. The results show that the predictions obtained from Method II is a specific case of that got from Method I. When an exact probabilistic result is needed, Method II is suggested. As the loss or gain of information during a probability-possibility (or vice versa) transformation cannot be quantified, their influences on the predictive results is not known. Thus, Method III should probably be preferred for risk assessments.
Zhang, Kejiang; Achari, Gopal; Li, Hua
2009-11-03
Traditionally, uncertainty in parameters are represented as probabilistic distributions and incorporated into groundwater flow and contaminant transport models. With the advent of newer uncertainty theories, it is now understood that stochastic methods cannot properly represent non random uncertainties. In the groundwater flow and contaminant transport equations, uncertainty in some parameters may be random, whereas those of others may be non random. The objective of this paper is to develop a fuzzy-stochastic partial differential equation (FSPDE) model to simulate conditions where both random and non random uncertainties are involved in groundwater flow and solute transport. Three potential solution techniques namely, (a) transforming a probability distribution to a possibility distribution (Method I) then a FSPDE becomes a fuzzy partial differential equation (FPDE), (b) transforming a possibility distribution to a probability distribution (Method II) and then a FSPDE becomes a stochastic partial differential equation (SPDE), and (c) the combination of Monte Carlo methods and FPDE solution techniques (Method III) are proposed and compared. The effects of these three methods on the predictive results are investigated by using two case studies. The results show that the predictions obtained from Method II is a specific case of that got from Method I. When an exact probabilistic result is needed, Method II is suggested. As the loss or gain of information during a probability-possibility (or vice versa) transformation cannot be quantified, their influences on the predictive results is not known. Thus, Method III should probably be preferred for risk assessments.
Strong solutions of semilinear matched microstructure models
Escher, Joachim
2011-01-01
The subject of this article is a matched microstructure model for Newtonian fluid flows in fractured porous media. This is a homogenized model which takes the form of two coupled parabolic differential equations with boundary conditions in a given (two-scale) domain in Euclidean space. The main objective is to establish the local well-posedness in the strong sense of the flow. Two main settings are investigated: semi-linear systems with linear boundary conditions and semi-linear systems with nonlinear boundary conditions. With the help of analytic semigoups we establish local well-posedness and investigate the long-time behaviour of the solutions in the first case: we establish global existence and show that solutions converge to zero at an exponential rate.
Modeling Electrolyte Solutions with the extended universal quasichemical (UNIQUAC) Model
DEFF Research Database (Denmark)
Thomsen, Kaj
2005-01-01
The extended universal quasichemical (UNIQUAC) model is a thermodynamic model for solutions containing electrolytes and non-electrolytes. The model is a gibbs excess function consisting of a Debye-Hückel term and a standard UNIQUAC term. The model only requires binary, ion specific interaction...... parameters. A unique choice of standard states makes the model able to reproduce solid-liquid, vapor-liquid, and liquid-liquid phase equilibria as well as thermal properties of electrolyte solutions using one set of parameters....
Modeling Electrolyte Solutions with the extended universal quasichemical (UNIQUAC) Model
DEFF Research Database (Denmark)
Thomsen, Kaj
2005-01-01
The extended universal quasichemical (UNIQUAC) model is a thermodynamic model for solutions containing electrolytes and non-electrolytes. The model is a gibbs excess function consisting of a Debye-Hückel term and a standard UNIQUAC term. The model only requires binary, ion specific interaction...... parameters. A unique choice of standard states makes the model able to reproduce solid-liquid, vapor-liquid, and liquid-liquid phase equilibria as well as thermal properties of electrolyte solutions using one set of parameters....
Honda, Mitsuru
2005-10-01
In order to predict the performance of ITER plasma, it is important to validate the existing theory-based turbulent transport models by systematicallycomparing them with the experimental observations. Taking experimental data from the ITPA profile database, we have carried out transport simulations with the CDBM, GLF23 and Weiland models by the one-dimensional diffusive transport code TASK/TR. The results are evaluated by the six figures of merit as specified in ITER Physics Basis^1. From the simulation on 55 discharges, it is found that each model has unique dependence on devices and operation modes and the CDBM model gives the most satisfactory results. We have incorporated the dependence on the elongation on the CDBM model^2 and confirmed that the accuracy of the prediction is improved for H-mode discharges. Single-particle-species heat transport simulations have indicated that the CDBM model reproduces Ti profiles more accurately than Te profiles. We will also show the results of the predictive simulations coupling TASK/TR and TASK/EQ, two-dimensional equilibrium code, for high performance plasmas with internal transport barriers like the high βp and reversed shear plasmas. [1] ITER Physics Basis Expert Groups, Nucl. Fusion, 39, 2175 (1999) [2] M. Yagi et al., J. Phys. Soc. Japan, 66, 379 (1997)
Institute of Scientific and Technical Information of China (English)
WANG Hui-fang; WANG Ming-yu
2012-01-01
Layered structures with upper porous and lower fractured media are widely distributed in the world.An experimental investigation on rainfall infiltration and solute transport in such layered structures can provide the necessary foundation for effectively preventing and forecasting water bursting in mines,controlling contamination of mine water,and accomplishing ecological restoration of mining areas.A typical physical model of the layered structures with porous and fractured media was created in this study.Then rainfall infiltration experiments were conducted after salt solution was sprayed on the surface of the layered structure.The volumetric water content and concentration of chlorine ions at different specified positions along the profile of the experiment system were measured in real-time.The experimental results showed that the lower fractured media,with a considerably higher permeability than that of the upper porous media,had significant effects on preventing water infiltration.Moreover,although the porous media were homogeneous statistically in the whole domain,spatial variations in the features of effluent concentrations with regards to time,or so called breakthrough curves,at various sampling points located at the horizontal plane in the porous media near the porous-fractured interface were observed,indicating the diversity of solute transport at small scales.Furthermore,the breakthrough curves of the outflow at the bottom,located beneath the underlying fractured rock,were able to capture and integrate features of the breakthrough curves of both the upper porous and fractured media,which exhibited multiple peaks,while the peak values were reduced one by one with time.
Rowlands, David S; Swift, Marilla; Ros, Marjolein; Green, Jackson G
2012-06-01
When ingested at high rates (1.8-2.4 g·min(-1)) in concentrated solutions, carbohydrates absorbed by multiple (e.g., fructose and glucose) vs. single intestinal transporters can increase exogenous carbohydrate oxidation and endurance performance, but their effect when ingested at lower, more realistic, rates during intermittent high-intensity endurance competition and trials is unknown. Trained cyclists participated in two independent randomized crossover investigations comprising mountain-bike races (average 141 min; n = 10) and laboratory trials (94-min high-intensity intervals followed by 10 maximal sprints; n = 16). Solutions ingested during exercise contained electrolytes and fructose + maltodextrin or glucose + maltodextrin in 1:2 ratio ingested, on average, at 1.2 g carbohydrate·kg(-1)·h(-1). Exertion, muscle fatigue, and gastrointestinal discomfort were recorded. Data were analysed using mixed models with gastrointestinal discomfort as a mechanism covariate; inferences were made against substantiveness thresholds (1.2% for performance) and standardized difference. The fructose-maltodextrin solution substantially reduced race time (-1.8%; 90% confidence interval = ±1.8%) and abdominal cramps (-8.1 on a 0-100 scale; ±6.6). After accounting for gastrointestinal discomfort, the effect of the fructose-maltodextrin solution on lap time was reduced (-1.1%; ±2.4%), suggesting that gastrointestinal discomfort explained part of the effect of fructose-maltodextrin on performance. In the laboratory, mean sprint power was enhanced (1.4%; ±0.8%) with fructose-maltodextrin, but the effect on peak power was unclear (0.7%; ±1.5%). Adjusting out gastrointestinal discomfort augmented the fructose-maltodextrin effect on mean (2.6%; ±1.9%) and peak (2.5%; ±3.0%) power. Ingestion of multiple transportable vs. single transportable carbohydrates enhanced mountain-bike race and high-intensity laboratory cycling performance, with inconsistent but not irreconcilable effects
Development of A Stochastic Bedload Transport Model
Tsai, C. W.; Kuai, Z.
2009-12-01
Sediment particle transport can be viewed as a Markov chain process. In a non-equilibrium condition, the interchange of sediment particles occurs not only between the bedload layer and the bed surface, but also across the interface between bedload and suspended load. We can quantify the number of saltating particles by modeling the occupancy probabilities vector of particles staying in three states, namely, the bed surface, bedload layer, and suspended sediment layer. Most bedload transport models in the literature are formulated in terms of the mean bed shear stress or flow velocity. The proposed Markovian bedload model and the bedload transport rates are governed by various transition probabilities. These transition probabilities are all functions of the bed shear stress. The stochastic property of the bed shear stress can be incorporated into the above bedload transport model knowing the probability density function of the bed shear stress. This study presents a theoretical method to compute stochastic bedload transport rates considering the stochastic fluctuation of the bed shear stress.
Band transport model for discotic liquid crystals
Lever, L. J.; Kelsall, R. W.; Bushby, R. J.
2005-07-01
A theoretical model is presented for charge transport in discotic liquid crystals in which a charge is delocalized over more than one lattice site. As such, charge transport is via a banded conduction process in a narrow bandwidth system and takes place over coherent lengths of a few molecules. The coherent lengths are disrupted by the geometrical disorder of the system and are treated as being terminated by quantum tunnel barriers. The transmission probabilities at these barriers have been calculated as a function of the charge carrier energy. Phononic interactions are also considered and the charge carrier scattering rates are calculated for intermolecular and intramolecular vibrations. The results of the calculations have been used to develop a Monte Carlo simulation of the charge transport model. Simulated data are presented and used to discuss the nature of the tunnel barriers required to reproduce experimental data. We find that the model successfully reproduces experimental time of flight data including temperature dependence.
DAC 22 High Speed Civil Transport Model
1992-01-01
Between tests, NASA research engineer Dave Hahne inspects a tenth-scale model of a supersonic transport model in the 30- by 60-Foot Tunnel at NASA Langley Research Center, Hampton, Virginia. The model is being used in support of NASA's High-Speed Research (HSR) program. Langley researchers are applying advance aerodynamic design methods to develop a wing leading-edge flap system which significantly improves low-speed fuel efficiency and reduces noise generated during takeoff operation. Langley is NASA's lead center for the agency's HSR program, aimed at developing technology to help U.S. industry compete in the rapidly expanding trans-oceanic transport market. A U.S. high-speed civil transport is expected to fly in about the year 2010. As envisioned, it would fly 300 passengers across the Pacific in about four hours at Mach 2.4 (approximately 1,600 mph/1950 kph) for a modest increase over business class fares.
GEOS-5 Chemistry Transport Model User's Guide
Kouatchou, J.; Molod, A.; Nielsen, J. E.; Auer, B.; Putman, W.; Clune, T.
2015-01-01
The Goddard Earth Observing System version 5 (GEOS-5) General Circulation Model (GCM) makes use of the Earth System Modeling Framework (ESMF) to enable model configurations with many functions. One of the options of the GEOS-5 GCM is the GEOS-5 Chemistry Transport Model (GEOS-5 CTM), which is an offline simulation of chemistry and constituent transport driven by a specified meteorology and other model output fields. This document describes the basic components of the GEOS-5 CTM, and is a user's guide on to how to obtain and run simulations on the NCCS Discover platform. In addition, we provide information on how to change the model configuration input files to meet users' needs.
Morales, T.; Angulo, B.; Uriarte, J. A.; Olazar, M.; Arandes, J. M.; Antiguedad, I.
2017-04-01
Protection of water resources is a major challenge today, given that territory occupation and land use are continuously increasing. In the case of karst aquifers, its dynamic complexity requires the use of specific methodologies that allow establishing local and regional flow and transport patterns. This information is particularly necessary when springs and wells harnessed for water supply are concerned. In view of the present state of the art, this work shows a new approach based on the use of a LiCl based tracer injection test through a borehole for transport characterization from a local to a regional scale. Thus a long term tracer injection test was conducted in a particularly sensitive sector of the Egino karst massif (Basque Country, Spain). The initial displacement of tracer in the vicinity of the injection was monitored in a second borehole at a radial distance of 10.24 m. This first information, assessed by a radial divergent model, allows obtaining transport characteristic parameters in this immediate vicinity during injection. At a larger (regional) scale, the tracer reaches a highly transmissive network with mean traveling velocities to the main springs being from 4.3 to 13.7 m/h. The responses obtained, particularly clear in the main spring used for water supply, and the persistence of part of the tracer in the injection zone, pose reconsidering the need for their protection. Thus, although the test allows establishing the 24-h isochrone, which is the ceiling value in present European vulnerability approaches, the results obtained advise widening the zone to protect in order to guarantee water quality in the springs. Overall, this stimulus-response test allows furthering the knowledge on the dynamics of solute transport in karst aquifers and is a particularly useful tool in studies related to source vulnerability and protection in such a complex medium.
Modelling Transition Towards Sustainable Transportation Sector
DEFF Research Database (Denmark)
Dominkovic, Dominik Franjo; Bačeković, I.; Mýrdal, Jón Steinar Garðarsson
2016-01-01
In a transition towards 100% renewable energy system, transportation sector is rarely dealt withusing the holistic approach and measuring its impact on the whole energy system. Furthermore, assolutions for power and heat sectors are clearer, it is a tendency of the researchers to focus on thelatter...... two energy sectors. In order to deal with the raised issue, authors of this paper developed amethodology for calculation of the transition towards sustainable transport sector, focusing on thesolutions that are already available. Furthermore, as a part of the model, a detailed mapping ofresources...... needed has been carried out for each of the alternatives. It was shown that theelectrification of the transportation sector is a crucial point in transition, while for the transportmodes that cannot be electrified, or shifted to different transportation modes, four alternatives weredefined: synthetic...
Gusyev, M. A.; D. Abrams; Toews, M. W.; U. Morgenstern; M. K. Stewart
2014-01-01
The purpose of this study is to simulate tritium concentrations and groundwater transit times in river water with particle-tracking (MODPATH) and compare them to solute transport (MT3DMS) simulations. Tritium measurements in river water are valuable for the calibration of particle-tracking and solute transport models as well as for understanding of watershed storage dynamics. In a previous study, we simulated tritium concentrations in river water of the western Lake Taupo...
Morales-Casique, E.; Lezama-Campos, J. L.; Guadagnini, A.; Neuman, S. P.
2013-05-01
Modeling tracer transport in geologic porous media suffers from the corrupt characterization of the spatial distribution of hydrogeologic properties of the system and the incomplete knowledge of processes governing transport at multiple scales. Representations of transport dynamics based on a Fickian model of the kind considered in the advection-dispersion equation (ADE) fail to capture (a) the temporal variation associated with the rate of spreading of a tracer, and (b) the distribution of early and late arrival times which are often observed in field and/or laboratory scenarios and are considered as the signature of anomalous transport. Elsewhere we have presented exact stochastic moment equations to model tracer transport in randomly heterogeneous aquifers. We have also developed a closure scheme which enables one to provide numerical solutions of such moment equations at different orders of approximations. The resulting (ensemble) average and variance of concentration fields were found to display a good agreement against Monte Carlo - based simulation results for mildly heterogeneous (or well-conditioned strongly heterogeneous) media. Here we explore the ability of the moment equations approach to describe the distribution of early arrival times and late time tailing effects which can be observed in Monte-Carlo based breakthrough curves (BTCs) of the (ensemble) mean concentration. We show that BTCs of mean resident concentration calculated at a fixed space location through higher-order approximations of moment equations display long tailing features of the kind which is typically associated with anomalous transport behavior and are not represented by an ADE model with constant dispersive parameter, such as the zero-order approximation.
Use of Emulsions with Surfactant Solutions for Viscous Fluids Transportation
Directory of Open Access Journals (Sweden)
Erich Martínez Martín
2015-01-01
Full Text Available The needs for improving the fluidity of fluids is present in the industry, because of the expenses that it takes and its relation with the achievement of the consumers’ demand according to volumes required for its different uses. In this way, the Oil Industry shows several methods to achieve this purpose, taking into account the characteristics of this substance. A method that can be used is the oil emulsions. Emulsions provide good results if they gather certain requirements for its use. In thispaper are shown the results of a research about the use of surfactant solutions in emulsions W/O. Oil transmission is used in this work because of its similar properties to oil.
Directory of Open Access Journals (Sweden)
Mosel Ulrich
2013-06-01
Full Text Available We give an overview over the hadronic transport model GiBUU as a simulation tool for hadronic and electroweak reactions on nuclei over a wide energy range [1]. The model is able to handle hadron-, photon- and lepton-induced reactions as well as nucleus nucleus collisions from sub-GeV energies up to hundreds of GeV. After a general introduction of the model, we discuss its possible application to cosmic ray air showers.
The chemical transport model Oslo CTM3
Directory of Open Access Journals (Sweden)
O. A. Søvde
2012-06-01
Full Text Available We present here the global chemical transport model Oslo CTM3, an update of the Oslo CTM2. The update comprises a faster transport scheme, an improved wet scavenging scheme for large scale rain, updated photolysis rates and a new lightning parameterization. Oslo CTM3 is better parallelized and allows for stable, large time steps for advection, enabling more complex or high resolution simulations. Thorough comparisons between the Oslo CTM3, Oslo CTM2 and measurements are performed, and in general the Oslo CTM3 is found to reproduce measurements well. Inclusion of tropospheric sulfur chemistry and nitrate aerosols in CTM3 is shown to be important to reproduce tropospheric O_{3}, OH and the CH_{4} lifetime well. Using the same meteorology to drive the two models, shows that some features related to transport are better resolved by the CTM3, such as polar cap transport, while features like transport close to the vortex edge are resolved better in the Oslo CTM2 due to its required shorter transport time step. The longer transport time steps in CTM3 result in larger errors e.g. near the jets, and when necessary, this can be remedied by using a shorter time step. An additional, more accurate and time consuming, treatment of polar cap transport is presented, however, both perform acceptably. A new treatment of the horizontal distribution of lightning is presented and found to compare well with measurements. Vertical distributions of lighting are updated, and tested against the old vertical distribution. The new profiles are found to produce more NO_{x} in the tropical middle troposphere, and less at the surface and at high altitudes.
Groundwater transport modeling with nonlinear sorption and intraparticle diffusion
Singh, Anshuman; Allen-King, Richelle M.; Rabideau, Alan J.
2014-08-01
Despite recent advances in the mechanistic understanding of sorption in groundwater systems, most contaminant transport models provide limited support for nonideal sorption processes such as nonlinear isotherms and/or diffusion-limited sorption. However, recent developments in the conceptualization of "dual mode" sorption for hydrophobic organic contaminants have provided more realistic and mechanistically sound alternatives to the commonly used Langmuir and Freundlich models. To support the inclusion of both nonlinear and diffusion-limited sorption processes in groundwater transport models, this paper presents two numerical algorithms based on the split operator approach. For the nonlinear equilibrium scenario, the commonly used two-step split operator algorithm has been modified to provide a more robust treatment of complex multi-parameter isotherms such as the Polanyi-partitioning model. For diffusion-limited sorption, a flexible three step split-operator procedure is presented to simulate intraparticle diffusion in multiple spherical particles with different sizes and nonlinear isotherms. Numerical experiments confirmed the accuracy of both algorithms for several candidate isotherms. However, the primary advantages of the algorithms are: (1) flexibility to accommodate any isotherm equation including "dual mode" and similar expressions, and (2) ease of adapting existing grid-based transport models of any dimensionality to include nonlinear sorption and/or intraparticle diffusion. Comparisons are developed for one-dimensional transport scenarios with different isotherms and particle configurations. Illustrative results highlight (1) the potential influence of isotherm model selection on solute transport predictions, and (2) the combined effects of intraparticle diffusion and nonlinear sorption on the plume transport and flushing for both single-particle and multi-particle scenarios.
O'Brien, Ricky; Fowkes, Nev; Bassom, Andrew P
2010-11-01
Gibberellins are growth hormones produced in the embryo of grain released during germination. They promote growth through the production of enzymes in the aleurone layer surrounding the endosperm. These enzymes then diffuse into the endosperm and produce the sugars required by the growing acrospire. Here we model the transport of gibberellins into and along the aleurone layer, the consequent production of enzymes, and their transport into the endosperm. Simple approximate solutions of the governing equations are obtained which suggest that the enzymes are released immediately behind a gibberellin front which travels with almost constant speed along the aleurone layer. The model also suggests that this propagation speed is determined primarily by conditions near the scutellum-aleurone junction, which may enable the embryo to actively control the germination process.
Pore-scale and Continuum Simulations of Solute Transport Micromodel Benchmark Experiments
Energy Technology Data Exchange (ETDEWEB)
Oostrom, Martinus; Mehmani, Yashar; Romero Gomez, Pedro DJ; Tang, Y.; Liu, H.; Yoon, Hongkyu; Kang, Qinjun; Joekar Niasar, Vahid; Balhoff, Matthew; Dewers, T.; Tartakovsky, Guzel D.; Leist, Emily AE; Hess, Nancy J.; Perkins, William A.; Rakowski, Cynthia L.; Richmond, Marshall C.; Serkowski, John A.; Werth, Charles J.; Valocchi, Albert J.; Wietsma, Thomas W.; Zhang, Changyong
2016-08-01
Four sets of micromodel nonreactive solute transport experiments were conducted with flow velocity, grain diameter, pore-aspect ratio, and flow focusing heterogeneity as the variables. The data sets were offered to pore-scale modeling groups to test their simulators. Each set consisted of two learning experiments, for which all results was made available, and a challenge experiment, for which only the experimental description and base input parameters were provided. The experimental results showed a nonlinear dependence of the dispersion coefficient on the Peclet number, a negligible effect of the pore-aspect ratio on transverse mixing, and considerably enhanced mixing due to flow focusing. Five pore-scale models and one continuum-scale model were used to simulate the experiments. Of the pore-scale models, two used a pore-network (PN) method, two others are based on a lattice-Boltzmann (LB) approach, and one employed a computational fluid dynamics (CFD) technique. The learning experiments were used by the PN models to modify the standard perfect mixing approach in pore bodies into approaches to simulate the observed incomplete mixing. The LB and CFD models used these experiments to appropriately discretize the grid representations. The continuum model use published non-linear relations between transverse dispersion coefficients and Peclet numbers to compute the required dispersivity input values. Comparisons between experimental and numerical results for the four challenge experiments show that all pore-scale models were all able to satisfactorily simulate the experiments. The continuum model underestimated the required dispersivity values and, resulting in less dispersion. The PN models were able to complete the simulations in a few minutes, whereas the direct models needed up to several days on supercomputers to resolve the more complex problems.
ORGANIZATIONAL STRESS SOURCES AND SOLUTION PROPOSALS IN PUBLIC TRANSPORT
Directory of Open Access Journals (Sweden)
Mehmet Zennur GÜRBÜZ
2017-09-01
Full Text Available Organizational stress is a concept which can have negative effects for both the workers and the organizations. The purpose of this study is to determine and classify the organizational stress sources that public transportation are exposed to, and to provide suggestions for managing these stress factors. A comprehensive literature survey is made in organizational stress factors and the following classes are identified: work structure, organizational structure, organizational policy, within-company relations and physical conditions. A questionnaire is developed forAnkara EGO General Directorate; applied to 2.137 drivers in Ankara in 2016 with a meaningful return of 1.554 data sets, representing 72% of the population and results are statistically analysed. Descriptive statistics, factor analysis and related validity and regional variance analyses are performed by SPSS (22.0 software. The study revealed that: drivers are exposed to mid-level stess; and most critical stress causes are “injustice and/or insufficiency of salaries”, “aggresive, violent behavior and verbal abuse of passengers towards drivers”, “fear of losing jobs or renewal of the contract”. A significant level of variation in stres levels are identified with respect to different regions of Ankara where drivers are assigned. Suggestions are made in relation to different stres causes to lower the stress levels exposed.
Development of technical solutions for realisation of intelligent transport systems
Directory of Open Access Journals (Sweden)
Anatoliy KULIK
2013-01-01
Full Text Available This article focuses on the development of architecture and technicalsolutions for implementation intelligent transport systems (ITS. The presented system will perform the following functions: monitoring the movement of an object collecting and displaying information about the state of the road, warning of the approaching object to obstacles, routing, as well as control of movement and speed of the output parameters of the recommendations of the movement, the development of intelligent decisions about the choice of optimal routes, intellectual analysis of data (IAD of the style and movement of the driver (the influence of alcohol, IAD on the technical parameters of the vehicle. Thus, it is advisable for ITS to be divided into several subsystems, which are related but are responsible for one or more functional tasks. Consequently, the need for monitoring the movement subsystem, the database on the state of the object database onthe location of an object, display subsystem, the subsystem of control of the road, the engine safety (prevention of obstacles, the subsystem control parameters of movement, routing subsystem.
Modelling contaminant transport for pumping wells in riverbank filtration systems.
Mustafa, Shaymaa; Bahar, Arifah; Aziz, Zainal Abdul; Suratman, Saim
2016-01-01
Analytical study of the influence of both the pumping well discharge rate and pumping time on contaminant transport and attenuation is significant for hydrological and environmental science applications. This article provides an analytical solution for investigating the influence of both pumping time and travelling time together for one-dimensional contaminant transport in riverbank filtration systems by using the Green's function approach. The basic aim of the model is to understand how the pumping time and pumping rate, which control the travelling time, can affect the contaminant concentration in riverbank filtration systems. Results of analytical solutions are compared with the results obtained using a MODFLOW numerical model. Graphically, it is found that both analytical and numerical solutions have almost the same behaviour. Additionally, the graphs indicate that any increase in the pumping rate or simulation pumping time should increase the contamination in groundwater. The results from the proposed analytical model are well matched with the data collected from a riverbank filtration site in France. After this validation, the model is then applied to the first pilot project of a riverbank filtration system conducted in Malaysia. Sensitivity analysis results highlight the importance of degradation rates of contaminants on groundwater quality, for which higher utilization rates lead to the faster consumption of pollutants. Copyright © 2015 Elsevier Ltd. All rights reserved.
Kostanyan, Artak E
2015-08-07
In closed-loop recycling (CLR) chromatography, the effluent from the outlet of a column is directly returned into the column through the sample feed line and continuously recycled until the required separation is reached. To select optimal operating conditions for the separation of a given feed mixture, an appropriate mathematical description of the process is required. This work is concerned with the analysis of models for the CLR separations. Due to the effect of counteracting mechanisms on separation of solutes, analytical solutions of the models could be helpful to understand and optimize chromatographic processes. The objective of this work was to develop analytical expressions to describe the CLR counter-current (liquid-liquid) chromatography (CCC). The equilibrium dispersion and cell models were used to describe the transport and separation of solutes inside a CLR CCC column. The Laplace transformation is applied to solve the model equations. Several possible CLR chromatography methods for the binary and complex mixture separations are simulated.
Simulation of Solute Flow and Transport in a Geostatistically Generated Fractured Porous System
Assteerawatt, A.; Helmig, R.; Haegland, H.; Bárdossy, A.
2007-12-01
Fractured aquifer systems have provided important natural resources such as petroleum, gas, water and geothermal energy and have also been recently under investigation for their suitability as storage sites for high-level nuclear waste. The resource exploitation and potential utilization have led to extensive studies aiming of understanding, characterizing and finally predicting the behavior of fractured aquifer systems. By applying a discrete model approach to study flow and transport processes, fractures are determined discretely and the effect of individual fractures can be explicitly investigated. The critical step for the discrete model is the generation of a representative fracture network since the development of flow paths within a fractured system strongly depends on its structure. The geostatistical fracture generation (GFG) developed in this study aims to create a representative fracture network, which combines the spatial structures and connectivity of a fracture network, and the statistical distribution of fracture geometries. The spatial characteristics are characterized from indicator fields, which are evaluated from fracture trace maps. A global optimization, Simulated annealing, is utilized as a generation technique and the spatial characteristics are formulated to its objective function. We apply the GFG to a case study at a Pliezhausen field block, which is a sandstone of a high fracture density. The generated fracture network from the GFG are compared with the statistically generated fracture network in term of structure and hydraulic behavior. As the GFG is based on a stochastic concept, several realizations of the same descriptions can be generated, hence, an overall behavior of the fracture-matrix system have to be investigated from various realizations which leads to a problem of computational demand. In order to overcome this problem, a streamline method for a solute transport in a fracture porous system is presented. The results obtained
Error estimation and adaptive chemical transport modeling
Directory of Open Access Journals (Sweden)
Malte Braack
2014-09-01
Full Text Available We present a numerical method to use several chemical transport models of increasing accuracy and complexity in an adaptive way. In largest parts of the domain, a simplified chemical model may be used, whereas in certain regions a more complex model is needed for accuracy reasons. A mathematically derived error estimator measures the modeling error and provides information where to use more accurate models. The error is measured in terms of output functionals. Therefore, one has to consider adjoint problems which carry sensitivity information. This concept is demonstrated by means of ozone formation and pollution emission.
Solute transport processes in flow-event-driven stream-aquifer interaction
Xie, Yueqing; Cook, Peter G.; Simmons, Craig T.
2016-07-01
The interaction between streams and groundwater controls key features of the stream hydrograph and chemograph. Since surface runoff is usually less saline than groundwater, flow events are usually accompanied by declines in stream salinity. In this paper, we use numerical modelling to show that, at any particular monitoring location: (i) the increase in stream stage associated with a flow event will precede the decrease in solute concentration (arrival time lag for solutes); and (ii) the decrease in stream stage following the flow peak will usually precede the subsequent return (increase) in solute concentration (return time lag). Both arrival time lag and return time lag increase with increasing wave duration. However, arrival time lag decreases with increasing wave amplitude, whereas return time lag increases. Furthermore, while arrival time lag is most sensitive to parameters that control river velocity (channel roughness and stream slope), return time lag is most sensitive to groundwater parameters (aquifer hydraulic conductivity, recharge rate, and dispersitivity). Additionally, the absolute magnitude of the decrease in river concentration is sensitive to both river and groundwater parameters. Our simulations also show that in-stream mixing is dominated by wave propagation and bank storage processes, and in-stream dispersion has a relatively minor effect on solute concentrations. This has important implications for spreading of contaminants released to streams. Our work also demonstrates that a high contribution of pre-event water (or groundwater) within the flow hydrograph can be caused by the combination of in-stream and bank storage exchange processes, and does not require transport of pre-event water through the catchment.
Temporal moment analysis of solute transport in a coupled fracture-skin-matrix system
Indian Academy of Sciences (India)
V Renu; G Suresh Kumar
2014-04-01
In the present study, method of temporal moments has been used to analyse the transport characteristics of reactive solute along fracture in a coupled fracture-skin-matrix system. In order to obtain the concentration distribution within the fracture, a system of coupled partial differential equations for fracture, fractureskin and rock-matrix has been solved numerically in a pseudo two-dimensional domain using implicit finite difference method. Subsequently, lower order temporal moments of solute have been computed from the concentration distribution to analyse the transport characteristics of solutes in the fracture. This study has been done by considering an inlet boundary condition of constant continuous source in a single fracture. The effect of various fracture-skin parameters like porosity, thickness and diffusion coefficient on the transport of solutes have been studied by doing sensitivity analyses. The effect of nonlinear sorption and radioactive decay of solutes have also been analysed by carrying out simulations for different sorption intensities and decay constants. Numerical results suggested that the presence of fracture-skin significantly influences the transport characteristics of reactive solutes along the fracture.
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
Beneš, Michal
2010-01-01
The present paper deals with mathematical models of heat and moisture transport in layered building envelopes. The study of such processes generates a system of two doubly nonlinear evolution partial differential equations with appropriate initial and boundary conditions. The existence of the strong solution in two dimensions on a (short) time interval is proven. The proof rests on regularity results for elliptic transmission problem for composite-like materials.
Institute of Scientific and Technical Information of China (English)
王树芳; 王丽亚; 王晓红; 林沛; 刘久荣; 辛宝东; 贺国平
2012-01-01
Investigation and numerical simulation,based on RT3D（reactive transport in 3-dimensions）were used to identify the source of tetrachloroethylene（PCE） and trichloroethylene（TCE） in the groundwater of a city in the north of China and reverse the input intensity.Multiple regressions were applied to analyze the influenced factors of input intensity of PCE and TCE using Stepwise function in Matlab.The results indicate that the factories and industries are the source of the PCE and TCE in groundwater.Natural attenuation was identified and the natural attenuation rates are 93.15%、 61.70% and 61.00% for PCE,and 70.05%、 73.66% and 63.66% for TCE in 173 days.The 4 source points identified by the simulation have released 0.910 6 kg PCE and 95.693 8 kg TCE during the simulation period.The regression analysis results indicate that local precipitation and the thickness of vadose zone are the main factors influencing organic solution transporting from surface to groundwater.The PCE and TCE concentration are found to be 0 and 5 mg·kg-1from surface to 35 cm in vadose zone.All above results suggest that PCE and TCE in groundwater are from the source in the surface.Natural attenuation occurred when PCE and TCE transporting from the surface to groundwater,and the rest was transported to groundwater through vadose zone.Local precipitation was one of the critical factors influencing the transportation of PCE and TCE to aquifer through sand,pebble and gravel of the Quaternary.%采用现场调查与数值模拟的方法,借助RT3D（reactive transport in 3-dimensions）,对我国北方某城市局部地区地下水中的四氯乙烯（PCE）和三氯乙烯（TCE）污染来源进行了识别,对污染输入强度进行了反演,并利用Matlab中的Stepwise函数,对影响污染物输入强度的因素进行了多元回归分析.研究结果显示,研究区地下水中的PCE和TCE主要来源于区内使用有机溶剂的工厂和企业.地下水
Climate impact of transportation A model comparison
Girod, B.; Vuuren, D.P. van; Grahn, M.; Kitous, A.; Kim, S.H.; Kyle, P.
2013-01-01
Transportation contributes to a significant and rising share of global energy use and GHG emissions. Therefore modeling future travel demand, its fuel use, and resulting CO2 emission is highly relevant for climate change mitigation. In this study we compare the baseline projections for global
Transport properties of fully screened Kondo models
Hörig, Christoph B M; Mora, Christophe; Schuricht, Dirk
2014-01-01
We study the nonequilibrium transport properties of fully (exactly) screened Kondo quantum dots subject to a finite bias voltage or a finite temperature. First, we calculate the Fermi-liquid coefficients of the conductance for models with arbitrary spin, i.e., its leading behavior for small bias vol
Logistics Chains in Freight Transport Modelling
Davydenko, I.Y.
2015-01-01
The flow of trade is not equal to transport flows, mainly due to the fact that warehouses and distribution facilities are used as intermediary stops on the way from production locations to the points of consumption or further rework of goods. This thesis proposes a logistics chain model, which estim
Climate impact of transportation A model comparison
Girod, B.; Vuuren, D.P. van; Grahn, M.; Kitous, A.; Kim, S.H.; Kyle, P.
2013-01-01
Transportation contributes to a significant and rising share of global energy use and GHG emissions. Therefore modeling future travel demand, its fuel use, and resulting CO2 emission is highly relevant for climate change mitigation. In this study we compare the baseline projections for global servic
Logistics Chains in Freight Transport Modelling
Davydenko, I.Y.
2015-01-01
The flow of trade is not equal to transport flows, mainly due to the fact that warehouses and distribution facilities are used as intermediary stops on the way from production locations to the points of consumption or further rework of goods. This thesis proposes a logistics chain model, which
Equilibrium models in multimodal container transport systems
Corman, F.; Viti, F.; Negenborn, R.R.
2015-01-01
Optimizing the performance of multimodal freight transport networks involves adequately balancing the interplay between costs, volumes, times of departure and arrival, and times of travel. In order to study this interplay, we propose an assignment model that is able to efficiently determine flows an
Yin, Liying; Jie, Wanqi; Wang, Tao; Zhou, Boru; Yang, Fan
2017-03-01
A numerical model is developed to simulate the temperature field, the thermosolutal convection, the solute segregation and the growth interface morphology during the growth of ZnTe crystal from Te rich solution by the temperature gradient solution growth (TGSG) technique. Effects of the temperature gradient on the transport phenomena, the growth interface morphology and the growth rate are examined. The influences of the latent heat and the thermal conductivity of ZnTe crystal on the transport phenomena and the growth interface are also discussed. We find that the mass transfer of ZnTe in the solution is very slow because of the low diffusion coefficient and the lack of mixing in the lower part of the solution. During the growth, dilute solution with high density and low growth temperature accumulates in the central region of the growth interface, making the growth interface change into two distinct parts. The inner part is very concave, while the outer part is relatively flat. Growth conditions in front of the two parts of the growth interface are different. The crystalline quality of the inner part of the ingot is predicted to be worse than that of the outer part. High temperature gradient can significantly increase the growth rate, and avoid the diffusion controlled growth to some extent.
Energy Technology Data Exchange (ETDEWEB)
Geier, Joel (Clearwater Hardrock Consulting, Corvallis, OR (US))
2008-03-15
. The variants completed thus far do not include alternative conceptual models for the DFN submodel, or variants with respect to its key properties, such as the assumed correlation of size to transmissivity. The flow distribution to deposition holes is not strongly sensitive to the hydrologic properties of the large-scale deformation zones or the time-dependent boundary conditions in a temperate setting. The main controls appear to be the DFN submodel, the excavation damaged zone (EDZ) around tunnels, and spalled zones in the deposition-hole walls (if present). Advective-dispersive particle-tracking results are presented for a suite of Forsmark model variants. A continuous EDZ intersecting all deposition holes and extending along all repository tunnels is included in all of these variants presented here. This is a significant feature for flow and transport, due to the apparent sparseness of the fracture population in the repository volume at Forsmark. For the Forsmark model variants considered here, the safety-critical lower portion of the distribution of transport resistance Fr is not strongly sensitive to most of the variants that have been modelled. Spalling around deposition holes produces a slight reduction in the lowest values of Fr below about 2x103 yr/m, but apparently yields an increase in Fr for the remainder of the distribution. This result is likely sensitive to the assumptions regarding hydraulic properties of the spalled zones, which have been arbitrarily specified for lack of relevant data. Further investigation of the sensitivity of the Fr distribution to assumptions regarding these parameters is warranted. The lower end of the Fr distribution also shows some sensitivity to stochastic realizations of the DFN submodel. This indicates that further exploration of uncertainties in the DFN submodel, including major conceptual uncertainties (clustering or hierarchical structure) is needed
Mathematical models of thermal and chemical transport in geologic media
Energy Technology Data Exchange (ETDEWEB)
Lai, C.-H.
1985-12-01
Semi-analytical and numerical methods are used to investigate thermal and chemical transport processes in geologic media. The work is divided into two parts: (1) development of semi-analytical models for the analysis of uncoupled isothermal and nonisothermal fluid flow in naturally fractured media, and (2) development of a high resolution numerical code to address coupled nonisothermal chemical transport in geologic media. A semi-analytical model is developed for well test data analysis in naturally fractured reservoirs. A simple approximate analytical solution for pressure buildup and drawdown tests is developed. Methods based on the approximate solution are developed for the evaluation of important reservoir properties. Type curves for nonisothermal fluid flow in naturally fractured media are developed to design injection systems for maximum energy in hydrothermal systems. An accurate finite difference method for the solution of a convection-diffusion type equation is developed. The method is incorporated in a two-dimensional code to investigate free convection in a porous slab and kinetic silica-water reactions in geothermal systems. A multicomponent model considering the variations of pressure, temperature and silica concentration is developed to interpret the evolution of geothermal systems during exploitation.
Explicit solutions of the radiative transport equation in the P{sub 3} approximation
Energy Technology Data Exchange (ETDEWEB)
Liemert, André, E-mail: andre.liemert@ilm.uni-ulm.de; Kienle, Alwin [Institut für Lasertechnologien in der Medizin und Meßtechnik an der Universität Ulm, Helmholtzstr.12, Ulm D-89081 (Germany)
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.
Thermal Transport across Surfactant Layers on Gold Nanorods in Aqueous Solution.
Wu, Xuewang; Ni, Yuxiang; Zhu, Jie; Burrows, Nathan D; Murphy, Catherine J; Dumitrica, Traian; Wang, Xiaojia
2016-04-27
Ultrafast transient absorption experiments and molecular dynamics simulations are utilized to investigate the thermal transport between aqueous solutions and cetyltrimethylammonium bromide (CTAB)- or polyethylene glycol (PEG)-functionalized gold nanorods (GNRs). The transient absorption measurement data are interpreted with a multiscale heat diffusion model, which incorporates the interfacial thermal conductances predicted by molecular dynamics. According to our observations, the effective thermal conductance of the GNR/PEG/water system is higher than that of the GNR/CTAB/water system with a surfactant layer of the same length. We attribute the enhancement of thermal transport to the larger thermal conductance at the GNR/PEG interface as compared with that at the GNR/CTAB interface, in addition to the water penetration into the hydrophilic PEG layer. Our results highlight the role of the GNR/polymer thermal interfaces in designing biological and composite-based heat transfer applications of GNRs, and the importance of multiscale analysis in interpreting transient absorption data in systems consisting of low interfacial thermal conductances.
Identification of key target markets for intermodal freight transport solutions in South Africa
Directory of Open Access Journals (Sweden)
Joubert van Eeden
2010-11-01
Full Text Available The Accelerated and Shared Growth Initiative for South Africa (AsgiSA identified South Africa's freight logistics challenges as among the key binding constraints on the country's growth aspirations. The research presented here points to the structural imbalance between road and rail freight transport as one of the key contributors to this state of affairs. Most long-distance corridor transport has been captured by road. However, long-distance transport is a market segment that is very suitable for intermodal transportation : rail is utilised for the high-density, long-distance component and road for the feeder and distribution services at the corridor end points. A market segmentation approach is developed to identify the corridors and industries that are natural candidates for such solutions, thereby paving the way for role-players and stakeholders to initiate a dialogue on the development of appropriate solutions.
Zhao, Qiao
This work is focused on advancing the understanding of the structures and properties of sulfonated ionomer membranes in the context of Polymer Electrolyte Membrane Fuel Cell applications by transport and mechanical measurements. Transport and mechanical properties are two critical elements of ionomer membranes that govern the performance and longevity of fuel cells. Additionally, transport and mechanical property measurements can also provide valuable information about the structure of the ionomer membranes. It is essential to develop a comprehensive understanding of them under well controlled environmental conditions. The mechanism of water transport through Nafion membranes was found to be governed by water diffusivity, swelling of the hydrophilic phase and the interfacial transport across membrane/vapor interface. A transport model incorporating these parameters was developed and successfully employed to resolve water activity profiles in the membrane and make quantitative predictions under steady state and dynamic conditions. Experimental results of diffusivity, volume of mixing and tortuosity also provided hints about the hydration shell structure around in the hydrophilic domains of Nafion. The alcohol sorption and transport was found to be qualitatively similar to the behavior of water and the quantitative differences were attributed to the difference in molecular size. The transport of alcohol water mixtures through Nafion displayed significant non-ideality which was connected to the abnormal swelling and incomplete mixing within the hydrophilic domains. The mechanical properties of several perfluoro-sulfonated ionomer (PFSI) membranes were studied as functions of temperature and solute activity. The thermal transition found between 60-100°C was described as an order-disorder transition of the ionic clusters. Water and other polar solutes were found to plasticize PFSI below the transition but stiffen PFSI above the transition. The stiffening effect was
Impact of biofilm-induced heterogeneities on solute transport in porous media
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.
TRACKING AND TRACING SOLUTION FOR DANGEROUS GOODS CARRIED BY INTERMODAL TRANSPORT
Directory of Open Access Journals (Sweden)
Marek Kvet
2014-03-01
Full Text Available This paper deals with the problem of designing a complex tracking and tracing solution for dangerous goods transportation with the support of modern information technologies. This research activity presents a part of the “ChemLogTT” [2] project solved at the University of Žilina. The main goal of our contribution is to present basic conception of a complex developed software tool for monitoring and analyzing mentioned dangerous goods transportation.
ACE-Asia Chemical Transport Modeling Overview
UNO, I.; Chin, M.; Collins, W.; Ginoux, P.; Rasch, P.; Carmichael, G. R.; Yienger, J. J.
2001-12-01
ACE-Asia (Asia Pacific Regional Aerosol Characterization Experiment) was designed to increase our understanding of how atmospheric aerosol particles affect the Earth?s climate system. The intensive observation period was carried out during March to May, 2001, and more than 100 researchers from several countries (United States, Japan, Korea, China, and many other Asian countries) participated using aircraft, a research vessel, surface stations and numerical models. Aerosol transport forecast activities played an important role during the ACE-Asia intensive observation period. Three independent modeling groups operated chemical transport models in forecast mode and participated in flight planning activities at the operations center. These models were: MATCH (Model of Atmospheric Transport and Chemistry; Rasch and Collins); GOCART (Georgia Tech/Goddard Global Ozone Chemistry Aerosol Radiation and Transport model; Chin and Ginour) and CFORS (Research Institute for Applied Mechanics, Kyushu University + University of Iowa - Chemical weather FORecast System; Uno, Carmichael and Yienger). The MATCH model used in ACE-Asia was a transport model applied for the Asia region, driven by NCEP forecast meteorology. A unique feature of this model was that it assimilated satellite derived optical depths into its forecast algorithm. The GOCART model provided global aerosol forecast using forecast meteorological fields provided by the Goddard Earth Observing System Data Assimilation System (GEOS DAS). The CFORS model provided regional forecasts using a limited area transport model coupled with Regional Meteorological Modeling System (RAMS), initialized by NCEP and JMA forecasts. All models produced 3-d aerosol forecast products consisting of aerosol mass distributions and optical depths for sulfate, black carbon, organic carbon, sea salt, and dust. In the field these model products were made available to all participating scientists via the Web, and were also presented during the
Numerical modelling of ion transport in flames
Han, Jie
2015-10-20
This paper presents a modelling framework to compute the diffusivity and mobility of ions in flames. The (n, 6, 4) interaction potential is adopted to model collisions between neutral and charged species. All required parameters in the potential are related to the polarizability of the species pair via semi-empirical formulas, which are derived using the most recently published data or best estimates. The resulting framework permits computation of the transport coefficients of any ion found in a hydrocarbon flame. The accuracy of the proposed method is evaluated by comparing its predictions with experimental data on the mobility of selected ions in single-component neutral gases. Based on this analysis, the value of a model constant available in the literature is modified in order to improve the model\\'s predictions. The newly determined ion transport coefficients are used as part of a previously developed numerical approach to compute the distribution of charged species in a freely propagating premixed lean CH4/O2 flame. Since a significant scatter of polarizability data exists in the literature, the effects of changes in polarizability on ion transport properties and the spatial distribution of ions in flames are explored. Our analysis shows that changes in polarizability propagate with decreasing effect from binary transport coefficients to species number densities. We conclude that the chosen polarizability value has a limited effect on the ion distribution in freely propagating flames. We expect that the modelling framework proposed here will benefit future efforts in modelling the effect of external voltages on flames. Supplemental data for this article can be accessed at http://dx.doi.org/10.1080/13647830.2015.1090018. © 2015 Taylor & Francis.
Energy Technology Data Exchange (ETDEWEB)
Joe, Justin H. [BNF Consulting (United States); Kim, Seung Jun, E-mail: skim@lanl.gov [Mechanical and Thermal Engineering Group (AET-1), Los Alamos National Laboratory (United States); Jones, Barclay G. [Department of Nuclear Plasma Radiological Engineering, University of Illinois Urbana-Champaign (United States)
2016-04-15
Highlights: • We model a 3-D numerical solute transport within crud deposit on PWR fuel pin. • Source term effect from radiolysis yield and recombination is minimal. • Lower crud porosity leads substantially higher concentration of solutes. • Thicker crud deposit generates substantially higher concentration of solutes. • High concentration of radiolysis species (H{sub 2}, O{sub 2}, and H{sub 2}O{sub 2}) can be directly related to corrosion issues on fuel cladding. - Abstract: This research examines the concentration of radiolysis species (H{sub 2}, O{sub 2}, and H{sub 2}O{sub 2}) over the porous crud layer using a three dimensional time dependent solute transport model. A Monte Carlo random walk technique is adopted to simulate the transport behavior of the different species with various parametric studies of source term, crud thickness, and crud porosity. Particularly, this model employs a system of coupled mass transport and chemical interactions as the source term, which makes the problem non-linear. It is demonstrated that a negligible effect on radiolysis species concentrations change due to the consideration of source term. The crud thickness and porosity effect on the concentration distributions are notably observed. In general, higher concentration starts from the intersection of the heating surface with the chimney wall from the beginning and it reaches the equilibrium state within tens of seconds. The concentration profiles of the radiolysis species H{sub 2}, O{sub 2}, and H{sub 2}O{sub 2} can be directly related to corrosion issues. The direct application of this study to nuclear engineering research is to aid in the design of reactors with higher performance without experiencing an Axial Offset Anomaly (AOA), an unexpected measured shift in axial power distribution from predicted values.
Kinetic theory the Chapman-Enskog solution of the transport equation for moderately dense gases
Brush, S G
1972-01-01
Kinetic Theory, Volume 3: The Chapman-Enskog Solution of the Transport Equation for Moderately Dense Gases describes the Chapman-Enskog solution of the transport equation for moderately dense gases. Topics covered range from the propagation of sound in monatomic gases to the kinetic theory of simple and composite monatomic gases and generalizations of the theory to higher densities. The application of kinetic theory to the determination of intermolecular forces is also discussed. This volume is divided into two sections and begins with an introduction to the work of Hilbert, Chapman, and Ensko
Analytical solutions for transport processes fluid mechanics, heat and mass transfer
Brenn, Günter
2017-01-01
This book provides analytical solutions to a number of classical problems in transport processes, i.e. in fluid mechanics, heat and mass transfer. Expanding computing power and more efficient numerical methods have increased the importance of computational tools. However, the interpretation of these results is often difficult and the computational results need to be tested against the analytical results, making analytical solutions a valuable commodity. Furthermore, analytical solutions for transport processes provide a much deeper understanding of the physical phenomena involved in a given process than do corresponding numerical solutions. Though this book primarily addresses the needs of researchers and practitioners, it may also be beneficial for graduate students just entering the field. .
Energy Technology Data Exchange (ETDEWEB)
Morel, J.E.
1981-01-01
A collocation method is developed for the solution of the one-dimensional neutron transport equation in slab geometry with both symmetric and polarly asymmetric scattering. For the symmetric scattering case, it is found that the collocation method offers a combination of some of the best characteristics of the finite-element and discrete-ordinates methods. For the asymmetric scattering case, it is found that the computational cost of cross-section data processing under the collocation approach can be significantly less than that associated with the discrete-ordinates approach. A general diffusion equation treating both symmetric and asymmetric scattering is developed and used in a synthetic acceleration algorithm to accelerate the iterative convergence of collocation solutions. It is shown that a certain type of asymmetric scattering can radically alter the asymptotic behavior of the transport solution and is mathematically equivalent within the diffusion approximation to particle transport under the influence of an electric field. The method is easily extended to other geometries and higher dimensions. Applications exist in the areas of neutron transport with highly anisotropic scattering (such as that associated with hydrogenous media), charged-particle transport, and particle transport in controlled-fusion plasmas. 23 figures, 6 tables.
Energy Technology Data Exchange (ETDEWEB)
Kirichenko, N A; Shcherbina, M E; Serkov, A A [Moscow Institute of Physics and Technology (State University), Dolgoprudnyi, Moscow Region (Russian Federation); Rakov, I I [Wave Research Center, A.M. Prokhorov General Physics Institute, Russian Academy of Sciences, Moscow (Russian Federation)
2015-12-31
The behaviour of a colloidal solution of gold nanoparticles irradiated by a repetitively pulsed laser with a pulse duration of a few nanoseconds is investigated theoretically and experimentally. A mathematical model is constructed, which allows the behaviour of the nanoparticle distribution function to be described. The model is based on the transport equation in the 'space' of particle sizes. The proposed model allows for a relatively simple study and makes it possible to establish some common patterns in the behaviour of an ensemble of nanoparticles under various conditions. The results obtained are in satisfactory agreement with the available experimental data. (nanophotonics)
Modeling reactive transport with particle tracking and kernel estimators
Rahbaralam, Maryam; Fernandez-Garcia, Daniel; Sanchez-Vila, Xavier
2015-04-01
Groundwater reactive transport models are useful to assess and quantify the fate and transport of contaminants in subsurface media and are an essential tool for the analysis of coupled physical, chemical, and biological processes in Earth Systems. Particle Tracking Method (PTM) provides a computationally efficient and adaptable approach to solve the solute transport partial differential equation. On a molecular level, chemical reactions are the result of collisions, combinations, and/or decay of different species. For a well-mixed system, the chem- ical reactions are controlled by the classical thermodynamic rate coefficient. Each of these actions occurs with some probability that is a function of solute concentrations. PTM is based on considering that each particle actually represents a group of molecules. To properly simulate this system, an infinite number of particles is required, which is computationally unfeasible. On the other hand, a finite number of particles lead to a poor-mixed system which is limited by diffusion. Recent works have used this effect to actually model incomplete mix- ing in naturally occurring porous media. In this work, we demonstrate that this effect in most cases should be attributed to a defficient estimation of the concentrations and not to the occurrence of true incomplete mixing processes in porous media. To illustrate this, we show that a Kernel Density Estimation (KDE) of the concentrations can approach the well-mixed solution with a limited number of particles. KDEs provide weighting functions of each particle mass that expands its region of influence, hence providing a wider region for chemical reactions with time. Simulation results show that KDEs are powerful tools to improve state-of-the-art simulations of chemical reactions and indicates that incomplete mixing in diluted systems should be modeled based on alternative conceptual models and not on a limited number of particles.
Solution profiles for some simple combustion models
Energy Technology Data Exchange (ETDEWEB)
Bebernes, J.; Eberly, D.; Fulks, W.
1986-01-01
In this paper, the shape (solution profile) of the solutions of the Gelfand problem and the perturbed Gelfand problem are studied. Both of these models play a fundamental role in the mathematical theory of thermal explosions for finite rigid and gaseous systems. For rigid systems the physical processes are determined by a pointwise balance between chemical heat addition and heat loss by conduction. During the inductive period, with a duration measured by the conduction time scale of the bounding container, the heat released by the chemical reaction is redistributed by thermal conduction. As the temperature of the container increases, the reaction rate grows dramatically. Eventually, the characteristic time for heat release becomes significantly smaller than the conduction time in a well-defined hot spot embedded in the system. Then the heat released is used almost entirely to increase the hot-spot temperature. The purpose of this paper is to show that both models detect this hot-spot development in a very precise manner. This hot-spot development had previously been detected only numerically.
Unsaturated water flow and tracer transport modeling with Alliances
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Constantin, Alina, E-mail: alina.constantin@nuclear.ro [Institute for Nuclear Research, Campului Str, No. 1, PO Box 78, Postal Code 115400 Mioveni, Arges County (Romania); Genty, Alain, E-mail: alain.genty@cea.fr [CEA Saclay, DM2S/SFME/LSE, Gif-sur-Yvette 91191 cedex (France); Diaconu, Daniela; Bucur, Crina [Institute for Nuclear Research, Campului Str, No. 1, PO Box 78, Postal Code 115400 Mioveni, Arges County (Romania)
2013-12-15
Highlights: • Simulation of water flow and solute transport at Saligny site, Romania was done. • Computation was based on the available experimental data with Alliances platform. • Very good results were obtained for the saturation profile in steady state. • Close fit to experimental data for saturation profile at 3 m in transient state. • Large dispersivity coefficients were fitted to match tracer experiment. - Abstract: Understanding water flow and solute transport in porous media is of central importance in predicting the radionuclide fate in the geological environment, a topic of interest for the performance and safety assessment studies for nuclear waste disposal. However, it is not easy to predict transport properties in real systems because they are geologically heterogeneous from the pore scale upwards. This paper addresses the simulation of water flow and solute transport in the unsaturated zone of the Saligny site, the potential location for the Romanian low and intermediate level waste (LILW) disposal. Computation was based on the current available experimental data for this zone and was performed within Alliances, a software platform initially jointly developed by French organizations CEA, ANDRA and EDF. The output of the model developed was compared with the measured values in terms of saturation profile of the soil for water movement, in both steady and transient state. Very good results were obtained for the saturation profile in steady state and a close fit of the simulation over experimental data for the water saturation profile at a depth of 3 m in transient state. In order to obtain information regarding the solute migration in depth and the solute lateral dispersion, a tracer test was launched on site and dispersivity coefficients of the solute were fitted in order to match the experimental concentration determined on samples from different locations of the site. Results much close to the experiment were obtained for a longitudinal
Modeling atrazine transport in soil columns with HYDRUS-1D
Directory of Open Access Journals (Sweden)
John Leju CELESTINO LADU
2011-09-01
Full Text Available Both physical and chemical processes affect the fate and transport of herbicides. It is useful to simulate these processes with computer programs to predict solute movement. Simulations were run with HYDRUS-1D to identify the sorption and degradation parameters of atrazine through calibration from the breakthrough curves (BTCs. Data from undisturbed and disturbed soil column experiments were compared and analyzed using the dual-porosity model. The study results show that the values of dispersivity are slightly lower in disturbed columns, suggesting that the more heterogeneous the structure is, the higher the dispersivity. Sorption parameters also show slight variability, which is attributed to the differences in soil properties, experimental conditions and methods, or other ecological factors. For both of the columns, the degradation rates were similar. Potassium bromide was used as a conservative non-reactive tracer to characterize the water movement in columns. Atrazine BTCs exhibited significant tailing and asymmetry, indicating non-equilibrium sorption during solute transport. The dual-porosity model was verified to best fit the BTCs of the column experiments. Greater or lesser concentration of atrazine spreading to the bottom of the columns indicated risk of groundwater contamination. Overall, HYDRUS-1D successfully simulated the atrazine transport in soil columns.
Transperitoneal transport of creatinine. A comparison of kinetic models
DEFF Research Database (Denmark)
Fugleberg, S; Graff, J; Joffe, P;
1994-01-01
Six kinetic models of transperitoneal creatinine transport were formulated and validated on the basis of experimental results obtained from 23 non-diabetic patients undergoing peritoneal dialysis. The models were designed to elucidate the presence or absence of diffusive, non-lymphatic convective...... including all three forms of transport is superior to other models. We conclude that the best model of transperitoneal creatinine transport includes diffusion, non-lymphatic convective transport and lymphatic convective transport....
Transport solutions of the Lamé equations and shock elastic waves
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.
Modeling of surfactant transport and adsorption in porous media
Energy Technology Data Exchange (ETDEWEB)
Chung, F.T.H.
1991-04-01
When surfactant solution is flowing in a reservoir formation, surfactants will be diluted by flow dispersion, retained in dead-end pores, adsorbed on rock surfaces, or precipitated due to ion exchange. The loss of surfactant will be detrimental to the performance of gas foam. Information of surfactant concentration profiles in reservoir formations is essential for gas foaming technique development. The major objective of this research is to investigate with mathematical models the transport and dynamic adsorption of surfactants in porous media. The mathematical models have taken into account the convection, dispersion, capacitance, and adsorption effects on concentrations of surfactants. Numerical methods and computer programs have been developed which can be used to match experimental results and to determine the characterization parameters in the models. The models can be included in foam simulation programs to calculate surfactant concentration profiles in porous media. A flow experimental method was developed to measure the effluent surfactant concentration, which will be used to determine the model parameters. Commercial foaming agent Alipal CD-128 was used in this study. Equilibrium adsorption and surfactant precipitation have been tested. Tracer solutions with a nonadsorbing solute such as dextrose and sucrose were used to determine the dispersion parameters for the experimental sandpack; thus, the adsorption of the surfactant in the test sand can be identified with an adequate model. 49 refs., 21 figs.
Quantifying the relative contributions of different solute carriers to aggregate substrate transport
Taslimifar, Mehdi; Oparija, Lalita; Verrey, Francois; Kurtcuoglu, Vartan; Olgac, Ufuk; Makrides, Victoria
2017-01-01
Determining the contributions of different transporter species to overall cellular transport is fundamental for understanding the physiological regulation of solutes. We calculated the relative activities of Solute Carrier (SLC) transporters using the Michaelis-Menten equation and global fitting to estimate the normalized maximum transport rate for each transporter (Vmax). Data input were the normalized measured uptake of the essential neutral amino acid (AA) L-leucine (Leu) from concentration-dependence assays performed using Xenopus laevis oocytes. Our methodology was verified by calculating Leu and L-phenylalanine (Phe) data in the presence of competitive substrates and/or inhibitors. Among 9 potentially expressed endogenous X. laevis oocyte Leu transporter species, activities of only the uniporters SLC43A2/LAT4 (and/or SLC43A1/LAT3) and the sodium symporter SLC6A19/B0AT1 were required to account for total uptake. Furthermore, Leu and Phe uptake by heterologously expressed human SLC6A14/ATB0,+ and SLC43A2/LAT4 was accurately calculated. This versatile systems biology approach is useful for analyses where the kinetics of each active protein species can be represented by the Hill equation. Furthermore, its applicable even in the absence of protein expression data. It could potentially be applied, for example, to quantify drug transporter activities in target cells to improve specificity. PMID:28091567
Klaus, Julian; Smettem, Keith; Pfister, Laurent; Harris, Nick
2017-04-01
There is ongoing interest in understanding and quantifying the travel times and dispersion of solutes moving through stream environments, including the hyporheic zone and/or in-channel dead zones where retention affects biogeochemical cycling processes that are critical to stream ecosystem functioning. Modelling these transport and retention processes requires acquisition of tracer data from injection experiments where the concentrations are recorded downstream. Such experiments are often time consuming and costly, which may be the reason many modelling studies of chemical transport have tended to rely on relatively few well documented field case studies. This leads to the need of fast and cheap distributed sensor arrays that respond instantly and record chemical transport at points of interest on timescales of seconds at various locations in the stream environment. To tackle this challenge we present data from several tracer experiments carried out in the Attert river catchment in Luxembourg employing low-cost (in the order of a euro per sensor) potentiometric chloride sensors in a distributed array. We injected NaCl under various baseflow conditions in streams of different morphologies and observed solute transport at various distances and locations. This data is used to benchmark the sensors to data obtained from more expensive electrical conductivity meters. Furthermore, the data allowed spatial resolution of hydrodynamic mixing processes and identification of chemical 'dead zones' in the study reaches.
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.
Modelling an Ammonium Transporter with SCLS
Directory of Open Access Journals (Sweden)
Angelo Troina
2009-10-01
Full Text Available The Stochastic Calculus of Looping Sequences (SCLS is a recently proposed modelling language for the representation and simulation of biological systems behaviour. It has been designed with the aim of combining the simplicity of notation of rewrite systems with the advantage of compositionality. It also allows a rather simple and accurate description of biological membranes and their interactions with the environment.In this work we apply SCLS to model a newly discovered ammonium transporter. This transporter is believed to play a fundamental role for plant mineral acquisition, which takes place in the arbuscular mycorrhiza, the most wide-spread plant-fungus symbiosis on earth. Due to its potential application in agriculture this kind of symbiosis is one of the main focuses of the BioBITs project. In our experiments the passage of NH3 / NH4+ from the fungus to the plant has been dissected in known and hypothetical mechanisms; with the model so far we have been able to simulate the behaviour of the system under different conditions. Our simulations confirmed some of the latest experimental results about the LjAMT2;2 transporter. The initial simulation results of the modelling of the symbiosis process are promising and indicate new directions for biological investigations.
Energy Technology Data Exchange (ETDEWEB)
Travis, C.C.
1978-10-01
This report reviews selected literature related to the mathematical description of the transport of reactive solutes through soil. The primary areas of the literature reviewed are (1) mathematical models in current use for description of the adsorption-desorption interaction between the soil solution and the soil matrix and (2) analytic solutions of the differential equations describing the convective-dispersive transport of reactive solutes through soil.
Chemical element transport in stellar evolution models
Cassisi, Santi
2017-01-01
Stellar evolution computations provide the foundation of several methods applied to study the evolutionary properties of stars and stellar populations, both Galactic and extragalactic. The accuracy of the results obtained with these techniques is linked to the accuracy of the stellar models, and in this context the correct treatment of the transport of chemical elements is crucial. Unfortunately, in many respects calculations of the evolution of the chemical abundance profiles in stars are still affected by sometimes sizable uncertainties. Here, we review the various mechanisms of element transport included in the current generation of stellar evolution calculations, how they are implemented, the free parameters and uncertainties involved, the impact on the models and the observational constraints.
Institute of Scientific and Technical Information of China (English)
李娜; 任理
2012-01-01
Recently, an effective approach based on the Continuous Time Random Walk (CTRW) theory has been proved successful in accounting for the behavior of solute transport in heterogeneous porous media in numerical, laboratory, and field experiments. This study presents a brief overview of the development and theoretical basis of the CTRW framework. The differences between CTRW and others based on the advection-dispersion equation and other approaches have been stated. We then exhibit the application of the CTRW to measured breakthrough curves from both laboratory and field experiments. Some key issues have been analyzed particularly in prospect of modeling of reactive solute transport. Further extension of the CTRW formulations to account for the transport behavior of reactive solute and in complicated system are areas for future research, which are critical and challenging problems.%近年来,基于连续时间随机游动(Continuous Time Random Walk,CTRW)理论所建立的模拟非均质多孔介质中溶质运移的方法已在大量的数值实验、室内实验、野外实验中得到了广泛的验证,为非均质多孔介质中的溶质运移行为提供了一种有效的模拟方法.简述了提出和发展CTRW的研究背景、基础理论以及与经典的对流-弥散方程等其他模拟方法的关系,综述了该理论在模拟溶质运移中的发展和应用,分析了实际应用中的关键问题,并展望了将其进一步发展应用于模拟反应性溶质运移的前景.
Pattern formation in a cell based auxin transport model with numerical bifurcation analysis
Draelants, Delphine; Beemster, Gerrit T S; Vanroose, Wim
2012-01-01
Transport models of growth hormones can be used to reproduce the hormone accumulations that occur in plant organs. Mostly, these accumulation patterns are calculated using time step methods, even though only the resulting steady state patterns of the model are of interest. We examine the steady state solutions of the hormone transport model of Smith et al (2006) for a one-dimensional row of plant cells. We search for the steady state solutions as a function of three of the model parameters by using numerical continuation methods and bifurcation analysis. These methods are more adequate for solving steady state problems than time step methods. We discuss a trivial solution where the concentrations of hormones are equal in all cells and examine its stability region. We identify two generic bifurcation scenarios through which the trivial solution loses its stability. The trivial solution becomes either a steady state pattern with regular spaced peaks or a pattern where the concentration is periodic in time.
An analytical approach to the solution of the transport equation for photons
Energy Technology Data Exchange (ETDEWEB)
Reichert, Janice Teresinha, E-mail: janice.reichert@gmail.com [Universidade Tecnologica Federal do Parana (UTFPR), Pato Branco, PR (Brazil); Barichello, Liliane Basso, E-mail: lbaric@mat.ufrgs.br [Universidade Federal do Rio Grande do Sul (UFRS), Porto Alegre, RS (Brazil)
2011-07-01
An analytical solution is developed to the one-dimensional transport equation for photons, for the case which includes spectral dependence. The Klein-Nishina kernel for Compton scattering is considered and an analytical discrete ordinates method, the ADO method, is used to solve the resulting angular dependent problem. Numerical simulations are performed to evaluate the buildup factor. (author)
Kokkonen, H T; Chin, H C; Töyräs, J; Jurvelin, J S; Quinn, T M
2017-04-01
Solute transport through the extracellular matrix (ECM) is crucial to chondrocyte metabolism. Cartilage injury affects solute transport in cartilage due to alterations in ECM structure and solute-matrix interactions. Therefore, cartilage injury may be detected by using contrast agent-based clinical imaging. In the present study, effects of mechanical injury on transport of negatively charged contrast agents in cartilage were characterized. Using cartilage plugs injured by mechanical compression protocol, effective partition coefficients and diffusion fluxes of iodine- and gadolinium-based contrast agents were measured using high resolution microCT imaging. For all contrast agents studied, effective diffusion fluxes increased significantly, particularly at early times during the diffusion process (38 and 33% increase after 4 min, P integrity in cartilage superficial zone. This study suggests that alterations in contrast agent diffusion flux, a non-equilibrium transport parameter, provides a more sensitive indicator for assessment of cartilage matrix integrity than partition coefficient and the equilibrium distribution of solute. These findings may help in developing clinical methods of contrast agent-based imaging to detect cartilage injury.
Packman, A. I.
2012-12-01
Thirty years after Bencala and Walters' landmark paper on transient storage seems like a good time to reflect on our understanding of hyporheic exchange and solute transport in rivers. Bencala and Walters' work, and the related fieldwork of many others at the U.S. Geological Survey, changed the paradigm for flow in river corridors. Previously, the prevailing view had been that in-stream transport was regulated primarily by advection and dispersion. This thinking was rooted in well-established theory derived from the work of G.I. Taylor on dispersion processes, and supported by extensive fieldwork in the 1960's and 1970's. River and groundwater flow were strictly separated at the channel boundary. After Bencala and Walters (and a lot of follow-up work!) we now understand that water continuously exchanges across stream channel boundaries. This has profound implications for not only solute transport in rivers, but also a wide variety of biogeochemical, ecological, and even geomorphological processes. In this talk, I will review the historical development of theory for solute transport in rivers, try to convey why Bencala and Walters was so important to both hydrology and biogeochemistry, and discuss how recent developments in measurement methods and stochastic transport theory can be used to further advance our understanding of surface-groundwater connectivity.
Raina, Shweta A; Zhang, Geoff G Z; Alonzo, David E; Wu, Jianwei; Zhu, Donghua; Catron, Nathaniel D; Gao, Yi; Taylor, Lynne S
2014-09-01
Amorphous solid dispersions (ASDs) give rise to supersaturated solutions (solution concentration greater than equilibrium crystalline solubility). We have recently found that supersaturating dosage forms can exhibit the phenomenon of liquid-liquid phase separation (LLPS). Thus, the high supersaturation generated by dissolving ASDs can lead to a two-phase system wherein one phase is an initially nanodimensioned and drug-rich phase and the other is a drug-lean continuous aqueous phase. Herein, the membrane transport of supersaturated solutions, at concentrations above and below the LLPS concentration has been evaluated using a side-by-side diffusion cell. Measurements of solution concentration with time in the receiver cell yield the flux, which reflects the solute thermodynamic activity in the donor cell. As the nominal concentration of solute in the donor cell increases, a linear increase in flux was observed up to the concentration where LLPS occurred. Thereafter, the flux remained essentially constant. Both nifedipine and felodipine solutions exhibit such behavior as long as crystallization is absent. This suggests that there is an upper limit in passive membrane transport that is dictated by the LLPS concentration. These results have several important implications for drug delivery, especially for poorly soluble compounds requiring enabling formulation technologies.
Huang, Junqi; Goltz, Mark N.
2017-06-01
To greatly simplify their solution, the equations describing radial advective/dispersive transport to an extraction well in a porous medium typically neglect molecular diffusion. While this simplification is appropriate to simulate transport in the saturated zone, it can result in significant errors when modeling gas phase transport in the vadose zone, as might be applied when simulating a soil vapor extraction (SVE) system to remediate vadose zone contamination. A new analytical solution for the equations describing radial gas phase transport of a sorbing contaminant to an extraction well is presented. The equations model advection, dispersion (including both mechanical dispersion and molecular diffusion), and rate-limited mass transfer of dissolved, separate phase, and sorbed contaminants into the gas phase. The model equations are analytically solved by using the Laplace transform with respect to time. The solutions are represented by confluent hypergeometric functions in the Laplace domain. The Laplace domain solutions are then evaluated using a numerical Laplace inversion algorithm. The solutions can be used to simulate the spatial distribution and the temporal evolution of contaminant concentrations during operation of a soil vapor extraction well. Results of model simulations show that the effect of gas phase molecular diffusion upon concentrations at the extraction well is relatively small, although the effect upon the distribution of concentrations in space is significant. This study provides a tool that can be useful in designing SVE remediation strategies, as well as verifying numerical models used to simulate SVE system performance.
Analytic solution of simplified Cardan's shaft model
Directory of Open Access Journals (Sweden)
Zajíček M.
2014-12-01
Full Text Available Torsional oscillations and stability assessment of the homokinetic Cardan shaft with a small misalignment angle is described in this paper. The simplified mathematical model of this system leads to the linearized equation of the Mathieu's type. This equation with and without a stationary damping parameter is considered. The solution of the original differential equation is identical with those one of the Fredholm’s integral equation with degenerated kernel assembled by means of a periodic Green's function. The conditions of solvability of such problem enable the identification of the borders between stability and instability regions. These results are presented in the form of stability charts and they are verified using the Floquet theory. The correctness of oscillation results for the system with periodic stiffness is then validated by means of the Runge-Kutta integration method.
Solution-processable graphene oxide as an efficient hole transport layer in polymer solar cells.
Li, Shao-Sian; Tu, Kun-Hua; Lin, Chih-Cheng; Chen, Chun-Wei; Chhowalla, Manish
2010-06-22
The utilization of graphene oxide (GO) thin films as the hole transport and electron blocking layer in organic photovoltaics (OPVs) is demonstrated. The incorporation of GO deposited from neutral solutions between the photoactive poly(3-hexylthiophene) (P3HT):phenyl-C61-butyric acid methyl ester (PCBM) layer and the transparent and conducting indium tin oxide (ITO) leads to a decrease in recombination of electrons and holes and leakage currents. This results in a dramatic increase in the OPV efficiencies to values that are comparable to devices fabricated with PEDOT:PSS as the hole transport layer. Our results indicate that GO could be a simple solution-processable alternative to PEDOT:PSS as the effective hole transport and electron blocking layer in OPV and light-emitting diode devices.
Hayek, M.; Kosakowski, G.; Jakob, A.; Churakov, S.
2012-04-01
Numerical computer codes dealing with precipitation-dissolution reactions and porosity changes in multidimensional reactive transport problems are important tools in geoscience. Recent typical applications are related to CO2 sequestration, shallow and deep geothermal energy, remediation of contaminated sites or the safe underground storage of chemotoxic and radioactive waste. Although the agreement between codes using the same models and similar numerical algorithms is satisfactory, it is known that the numerical methods used in solving the transport equation, as well as different coupling schemes between transport and chemistry, may lead to systematic discrepancies. Moreover, due to their inability to describe subgrid pore space changes correctly, the numerical approaches predict discretization-dependent values of porosity changes and clogging times. In this context, analytical solutions become an essential tool to verify numerical simulations. We present a benchmark study where we compare a two-dimensional analytical solution for diffusive transport of two solutes coupled with a precipitation-dissolution reaction causing porosity changes with numerical solutions obtained with the COMSOL Multiphysics code and with the reactive transport code OpenGeoSys-GEMS. The analytical solution describes the spatio-temporal evolution of solutes and solid concentrations and porosity. We show that both numerical codes reproduce the analytical solution very well, although distinct differences in accuracy can be traced back to specific numerical implementations.
New Travelling Wave Solutions of Burgers Equation with Finite Transport Memory
Sakthivel, Rathinasamy; Chun, Changbum; Lee, Jonu
2010-09-01
The nonlinear evolution equations with finite memory have a wide range of applications in science and engineering. The Burgers equation with finite memory transport (time-delayed) describes convection-diffusion processes. In this paper, we establish the new solitary wave solutions for the time-delayed Burgers equation. The extended tanh method and the exp-function method have been employed to reveal these new solutions. Further, we have calculated the numerical solutions of the time-delayed Burgers equation with initial conditions by using the homotopy perturbation method (HPM). Our results show that the extended tanh and exp-function methods are very effective in finding exact solutions of the considered problem and HPM is very powerful in finding numerical solutions with good accuracy for nonlinear partial differential equations without any need of transformation or perturbation
Uranium transport in a crushed granodiorite: experiments and reactive transport modeling.
Dittrich, T M; Reimus, P W
2015-01-01
The primary objective of this study was to develop and demonstrate an experimental method to refine and better parameterize process models for reactive contaminant transport in aqueous subsurface environments and to reduce conservatism in such models without attempting to fully describe the geochemical system. Uranium was used as an example of a moderately adsorbing contaminant because of its relevance in geologic disposal of spent nuclear fuel. A fractured granodiorite from the Grimsel Test Site (GTS) in Switzerland was selected because this system has been studied extensively and field experiments have been conducted with radionuclides including uranium. We evaluated the role of pH, porous media size fraction, and flow interruptions on uranium transport. Rock cores drilled from the GTS were shipped to Los Alamos National Laboratory, characterized by x-ray diffraction and optical microscopy, and used in uranium batch sorption and column breakthrough experiments. A synthetic water was prepared that represented the porewater that would be present after groundwater interacts with bentonite backfill material near a nuclear waste package. Uranium was conservatively transported at pH8.8. Significant adsorption and subsequent desorption was observed at pH ~7, with long desorption tails resulting after switching the column injection solution to uranium-free groundwater. Our experiments were designed to better interrogate this slow desorption behavior. A three-site model predicted sorption rate constants for a pH7.2 solution with a 75-150 μm granodiorite fraction to be 3.5, 0.012, and 0.012 mL/g-h for the forward reactions and 0.49, 0.0025, and 0.001 h(-1) for the reverse reactions. Surface site densities were 1.3, 0.042, and 0.042 μmol/g for the first, second, and third sites, respectively. 10-year simulations show that including a slow binding site increases the arrival time of a uranium pulse by ~70%.
Kolditz, Olaf; Ratke, Rainer; Diersch, Hans-Jörg G.; Zielke, Werner
This work examines variable density flow and corresponding solute transport in groundwater systems. Fluid dynamics of salty solutions with significant density variations are of increasing interest in many problems of subsurface hydrology. The mathematical model comprises a set of non-linear, coupled, partial differential equations to be solved for pressure/hydraulic head and mass fraction/concentration of the solute component. The governing equations and underlying assumptions are developed and discussed. The equation of solute mass conservation is formulated in terms of mass fraction and mass concentration. Different levels of the approximation of density variations in the mass balance equations are used for convection problems (e.g. the Boussinesq approximation and its extension, fully density approximation). The impact of these simplifications is studied by use of numerical modelling. Numerical models for nonlinear problems, such as density-driven convection, must be carefully verified in a particular series of tests. Standard benchmarks for proving variable density flow models are the Henry, Elder, and salt dome (HYDROCOIN level 1 case 5) problems. We studied these benchmarks using two finite element simulators - ROCKFLOW, which was developed at the Institute of Fluid Mechanics and Computer Applications in Civil Engineering and FEFLOW, which was developed at the Institute for Water Resources Planning and Systems Research Ltd. Although both simulators are based on the Galerkin finite element method, they differ in many approximation details such as temporal discretization (Crank-Nicolson vs predictor-corrector schemes), spatial discretization (triangular and quadrilateral elements), finite element basis functions (linear, bilinear, biquadratic), iteration schemes (Newton, Picard) and solvers (direct, iterative). The numerical analysis illustrates discretization effects and defects arising from the different levels of the density of approximation. We contribute
Macropore system characteristics controls on non-reactive solute transport at different flow rates
Larsbo, Mats; Koestel, John
2014-05-01
Preferential flow and transport in macroporous soils are important pathways for the leaching of agrochemicals through soils. Preferential solute transport in soil is to a large extent determined by the macropore system characteristics and the water flow conditions. The importance of different characteristics of the macropore system is likely to vary with the flow conditions. The objective of this study was to determine which properties of the macropore system that control the shape of non-reactive tracer solute breakthrough curves at different steady-state flow rates. We sampled five undisturbed columns (20 cm high, 20 cm diameter) from the soil surface of four soils with clay contents between 21 and 50 %. Solute transport experiments were carried out under unsaturated conditions at 2, 4, 6, 8 and 12 mm h-1 flow rates. For each flow rate a pulse of potassium bromide solution was applied at the soil surface and the electrical conductivity was measured with high temporal resolution in the column effluent. We used the 5 % arrival time and the holdback factor to estimate the degree of preferential transport from the resulting breakthrough curves. Unsaturated hydraulic conductivities were measured at the soil surface of the columns using a tension disc infiltrometer. The macropore system was imaged by industrial X-ray computed tomography at a resolution of 125 μm in all directions. Measures of the macropore system characteristics including measures of pore continuity were calculated from these images using the ImageJ software. Results show that the degree of preferential transport is generally increasing with flow rate when larger pores become active in the transport. The degree of preferential flow was correlated to measures of macropore topology. This study show that conclusions drawn from experiments carried out at one flow rate should generally not be extrapolated to other flow rates.
Transport Corrections in Nodal Diffusion Codes for HTR Modeling
Energy Technology Data Exchange (ETDEWEB)
Abderrafi M. Ougouag; Frederick N. Gleicher
2010-08-01
The cores and reflectors of High Temperature Reactors (HTRs) of the Next Generation Nuclear Plant (NGNP) type are dominantly diffusive media from the point of view of behavior of the neutrons and their migration between the various structures of the reactor. This means that neutron diffusion theory is sufficient for modeling most features of such reactors and transport theory may not be needed for most applications. Of course, the above statement assumes the availability of homogenized diffusion theory data. The statement is true for most situations but not all. Two features of NGNP-type HTRs require that the diffusion theory-based solution be corrected for local transport effects. These two cases are the treatment of burnable poisons (BP) in the case of the prismatic block reactors and, for both pebble bed reactor (PBR) and prismatic block reactor (PMR) designs, that of control rods (CR) embedded in non-multiplying regions near the interface between fueled zones and said non-multiplying zones. The need for transport correction arises because diffusion theory-based solutions appear not to provide sufficient fidelity in these situations.
Modelling of Sediment Transport in Beris Fishery Port
Directory of Open Access Journals (Sweden)
Samira Ardani
2015-06-01
Full Text Available In this paper, the large amount of sedimentation and the resultant shoreline advancements at the breakwaters of Beris Fishery Port are studied. A series of numerical modeling of waves, sediment transport, and shoreline changes were conducted to predict the complicated equilibrium shoreline. The outputs show that the nearshore directions of wave components are not perpendicular to the coast which reveals the existence of longshore currents and consequently sediment transport along the bay. Considering the dynamic equilibrium condition of the bay, the effect of the existing sediment resources in the studied area is also investigated. The study also shows that in spite of the change of the diffraction point of Beris Bay after the construction of the fishery port, the bay is approaching its dynamic equilibrium condition, and the shoreline advancement behind secondary breakwater will stop before blocking the entrance of the port. The probable solutions to overcome the sedimentation problem at the main breakwater are also discussed.
Updated Delft Mass Transport model DMT-2: computation and validation
Hashemi Farahani, Hassan; Ditmar, Pavel; Inacio, Pedro; Klees, Roland; Guo, Jing; Guo, Xiang; Liu, Xianglin; Zhao, Qile; Didova, Olga; Ran, Jiangjun; Sun, Yu; Tangdamrongsub, Natthachet; Gunter, Brian; Riva, Ricardo; Steele-Dunne, Susan
2014-05-01
A number of research centers compute models of mass transport in the Earth's system using primarily K-Band Ranging (KBR) data from the Gravity Recovery And Climate Experiment (GRACE) satellite mission. These models typically consist of a time series of monthly solutions, each of which is defined in terms of a set of spherical harmonic coefficients up to degree 60-120. One of such models, the Delft Mass Transport, release 2 (DMT-2), is computed at the Delft University of Technology (The Netherlands) in collaboration with Wuhan University. An updated variant of this model has been produced recently. A unique feature of the computational scheme designed to compute DMT-2 is the preparation of an accurate stochastic description of data noise in the frequency domain using an Auto-Regressive Moving-Average (ARMA) model, which is derived for each particular month. The benefits of such an approach are a proper frequency-dependent data weighting in the data inversion and an accurate variance-covariance matrix of noise in the estimated spherical harmonic coefficients. Furthermore, the data prior to the inversion are subject to an advanced high-pass filtering, which makes use of a spatially-dependent weighting scheme, so that noise is primarily estimated on the basis of data collected over areas with minor mass transport signals (e.g., oceans). On the one hand, this procedure efficiently suppresses noise, which are caused by inaccuracies in satellite orbits and, on the other hand, preserves mass transport signals in the data. Finally, the unconstrained monthly solutions are filtered using a Wiener filter, which is based on estimates of the signal and noise variance-covariance matrices. In combination with a proper data weighting, this noticeably improves the spatial resolution of the monthly gravity models and the associated mass transport models.. For instance, the computed solutions allow long-term negative trends to be clearly seen in sufficiently small regions notorious
DEFF Research Database (Denmark)
Johannesson, Björn
2009-01-01
Results from a systematic continuum mixture theory will be used to establish the governing equations for ionic diffusion and chemical reactions in the pore solution of a porous material subjected to moisture transport. The theory in use is the hybrid mixture theory (HMT), which in its general form...... general description of chemical reactions among constituents is described. The Petrov – Galerkin approach are used in favour of the standard Galerkin weighting in order to improve the solution when the convective part of the problem is dominant. A modified type of Newton – Raphson scheme is derived...... for the non-linear global matrix formulation. The developed model and its numerical solution procedure are checked by running test examples which results demonstrates robustness of the proposed approach....
Meeting in Turkey: WASP Transport Modeling and WASP Ecological Modeling
A combination of lectures, demonstrations, and hands-on excercises will be used to introduce pollutant transport modeling with the U.S. EPA's general water quality model, WASP (Water Quality Analysis Simulation Program). WASP features include a user-friendly Windows-based interfa...
Fiorentini, Mattia; Bonini, Nicola
2016-08-01
We present a first-principles computational approach to calculate thermoelectric transport coefficients via the exact solution of the linearized Boltzmann transport equation, also including the effect of nonequilibrium phonon populations induced by a temperature gradient. We use density functional theory and density functional perturbation theory for an accurate description of the electronic and vibrational properties of a system, including electron-phonon interactions; carriers' scattering rates are computed using standard perturbation theory. We exploit Wannier interpolation (both for electronic bands and electron-phonon matrix elements) for an efficient sampling of the Brillouin zone, and the solution of the Boltzmann equation is achieved via a fast and stable conjugate gradient scheme. We discuss the application of this approach to n -doped silicon. In particular, we discuss a number of thermoelectric properties such as the thermal and electrical conductivities of electrons, the Lorenz number and the Seebeck coefficient, including the phonon drag effect, in a range of temperatures and carrier concentrations. This approach gives results in good agreement with experimental data and provides a detailed characterization of the nature and the relative importance of the individual scattering mechanisms. Moreover, the access to the exact solution of the Boltzmann equation for a realistic system provides a direct way to assess the accuracy of different flavors of relaxation time approximation, as well as of models that are popular in the thermoelectric community to estimate transport coefficients.
Brace, Robert A; Anderson, Debra F; Cheung, Cecilia Y
2014-11-15
Experimentation in late-gestation fetal sheep has suggested that regulation of amniotic fluid (AF) volume occurs primarily by modulating the rate of intramembranous transport of water and solutes across the amnion into underlying fetal blood vessels. In order to gain insight into intramembranous transport mechanisms, we developed a computer model that allows simulation of experimentally measured changes in AF volume and composition over time. The model included fetal urine excretion and lung liquid secretion as inflows into the amniotic compartment plus fetal swallowing and intramembranous absorption as outflows. By using experimental flows and solute concentrations for urine, lung liquid, and swallowed fluid in combination with the passive and active transport mechanisms of the intramembranous pathway, we simulated AF responses to basal conditions, intra-amniotic fluid infusions, fetal intravascular infusions, urine replacement, and tracheoesophageal occlusion. The experimental data are consistent with four intramembranous transport mechanisms acting in concert: 1) an active unidirectional bulk transport of AF with all dissolved solutes out of AF into fetal blood presumably by vesicles; 2) passive bidirectional diffusion of solutes, such as sodium and chloride, between fetal blood and AF; 3) passive bidirectional water movement between AF and fetal blood; and 4) unidirectional transport of lactate into the AF. Further, only unidirectional bulk transport is dynamically regulated. The simulations also identified areas for future study: 1) identifying intramembranous stimulators and inhibitors, 2) determining the semipermeability characteristics of the intramembranous pathway, and 3) characterizing the vesicles that are the primary mediators of intramembranous transport.
Understanding transport in model water desalination membranes
Chan, Edwin
Polyamide based thin film composites represent the the state-of-the-art nanofiltration and reverse osmosis membranes used in water desalination. The performance of these membranes is enabled by the ultrathin (~100 nm) crosslinked polyamide film in facilitating the selective transport of water over salt ions. While these materials have been refined over the last several decades, understanding the relationships between polyamide structure and membrane performance remains a challenge because of the complex and heterogeneous nature of the polyamide film. In this contribution, we present our approach to addressing this challenge by studying the transport properties of model polyamide membranes synthesized via molecular layer-by-layer (mLbL) assembly. First, we demonstrate that mLbL can successfully construct polyamide membranes with well-defined nanoscale thickness and roughness using a variety of monomer formulations. Next, we present measurement tools for characterizing the network structure and transport of these model polyamide membranes. Specifically, we used X-ray and neutron scattering techniques to characterize their structure as well as a recently-developed indentation based poromechanics approach to extrapolate their water diffusion coefficient. Finally, we illustrate how these measurements can provide insight into the original problem by linking the key polyamide network properties, i.e. water-polyamide interaction parameter and characteristic network mesh size, to the membrane performance.
Transport model of underground sediment in soils.
Jichao, Sun; Guangqian, Wang
2013-01-01
Studies about sediment erosion were mainly concentrated on the river channel sediment, the terrestrial sediment, and the underground sediment. The transport process of underground sediment is studied in the paper. The concept of the flush potential sediment is founded. The transport equation with stable saturated seepage is set up, and the relations between the flush potential sediment and water sediment are discussed. Flushing of underground sediment begins with small particles, and large particles will be taken away later. The pore ratio of the soil increases gradually. The flow ultimately becomes direct water seepage, and the sediment concentration at the same position in the water decreases over time. The concentration of maximal flushing potential sediment decreases along the path. The underground sediment flushing model reflects the flushing mechanism of underground sediment.
Io Volcanism: Modeling Vapor And Heat Transport
Allen, Daniel R.; Howell, R. R.
2010-10-01
Loki is a large, active volcanic source on Jupiter's moon, Io, whose overall temperatures are well explained by current cooling models, but there are unexplainable subtleties. Using the SO2 atmospheric models of Ingersoll (1989) as a starting point, we are investigating how volatiles, specifically sulfur, are transported on the surface and how they modify the temperatures at Loki and other volcanoes. Voyager images reveal light colored deposits, colloquially called "sulfur bergs,” on Loki's dark patera floor that may be sulfur fumaroles. Galileo images show the presence of red short-chain sulfur deposits around the patera. We are investigating the mechanisms that lead to these features. The light deposits are a few kilometers across. Calculations of the mean free paths for day time conditions on Io indicate lengths on the order of 0.1 km while poorly constrained night time conditions indicate mean free paths about 100 times greater, on the order of what is needed to produce the deposits under ballistic conditions. Preliminary calculations reveal horizontal transport length scales for diffuse transport in a collisional atmosphere of approximately 30 km for sublimating S8 sulfur at 300 K. These length scales would be sufficient to move the sulfur from the warm patera floor to the locations of the red sulfur deposits. At a typical Loki temperature of 300 K, the sublimation/evaporation rate of S8 is a few tens of microns/day. It then requires just a few days to deposit an optically thick 100 µm layer of material. Preliminary length scales and sublimation rates are thus of sufficient scale to produce the deposits. Investigations into the sulfur transport and its effect on temperature are ongoing.
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 gr