Mathematical Modeling to Simulate the Movement of Contaminants in Groundwater

The objectives of this paper are twofold. Firstly, we formulate a system of partial differential equations that models the contamination of groundwater due to migration of dissolved contaminants through unsaturated to saturated zone. A closed form solution using the singular perturbation techniques for the flow and solute transport equations in the unsaturated zone is obtained. Indeed, the solution can be used as a tool to verify the accuracy of numerical models of water flow and solute transport. The second part of this paper, deals with how the water level in a water reserve drops due to pumping water out of a well that is some distance away.     

A perturbation solution for bacterial growth and bioremediation in a porous medium with bio-clogging

We investigate a flow problem of relevance in bioremediation and develop a mathematical model for transport of contamination by groundwater and the spreading, confinement, and remediation of chemical waste. The model is based on the fluid mass and momentum balance equations and simultaneous transport and consumption of the pollutant (hydrocarbon) and nutrient (oxygen). Particular emphasis is placed on the study of processes involving the full coupling of reaction, transport and mechanical effects. Dimensional analysis and asymptotic reduction are used to simplify the governing equations, which are then solved numerically.     

Existence of a weak solution for the fully coupled Navier–Stokes/Darcy-transport problem

This paper analyzes the surface/subsurface flow coupled with transport. The flow is modeled by the coupling of Navier–Stokes and Darcy equations. The transport of a species is modeled by a convection-dominated parabolic equation. The two-way coupling between flow and transport is nonlinear and it is done via the velocity field and the viscosity. This problem arises from a variety of natural phenomena such as the contamination of the groundwater through rivers. The main result is existence and stability bounds of a weak solution.     

Hydrogeochemical modeling for groundwater management in arid and semiarid regions using MODFLOW and MT3DMS: A case study of the Jeffara of Medenine coastal aquifer,South-Eastern Tunisia

The study of water quality and the quantification of reserves and their variations according to natural and anthropogenic forcing is necessary to establish an adequate management plan for groundwater resources. For this purpose, a modeling approach is a useful tool that allows, after calibration phase and verification of simulation, and under different scenarios of forcing and operational changes, to estimate and control the groundwater quantity and quality. The main objective of this study is to collect all available data in a model that simulates the Jeffara of Medenine coastal aquifer system functioning. To achieve this goal, a conceptual model was constructed based on previous studies and hydrogeological investigations. The regional groundwater numerical flow model for the Jeffara aquifer was developed using MODFLOW working under steady-state and transient conditions. Groundwater elevations measured from the piezometric wells distributed throughout the study area in 1973 were selected as the target water levels for steady state (head) model calibration. A transient simulation was undertaken for the 42 years from 1973 to 2015. The historical transient model calibration was satisfactory, consistent with the continuous piezometric decline in response to the increase in groundwater abstraction. The developed numerical model was used to study the system's behavior over the next 35 years under various constraints. Two scenarios for potential groundwater extraction for the period 2015–2050 are presented. The predictive simulations show the effect of the increase of the exploitation on the piezometric levels. To study the phenomenon of salinization, which is one of the most severe and widespread groundwater contamination problems, especially in coastal regions, a solute transport model has been constructed by using MT3DMS software coupled with the groundwater flow model. The best calibration results are obtained when the connection with the overlying superficial aquifer is considered suggesting that groundwater contamination originates from this aquifer. Recommendations for water resource managers

• The results of this study show that Groundwater resources of Jeffara of Medenine coastal aquifer in Tunisia are under immense pressure from multiple stresses.
• The water resources manager must consider the impact of economic and demographic development in groundwater management to avoid the intrusion of saline water.
• The results obtained presented some reference information that can serve as a basis for water resources planning.
• The model runs to provide information that managers can use to regulate and adequately control the Jeffara of Medenine water resources.

     

土壤水流与溶质耦合运移问题的混合元-迎风广义差分法研究

本文研究了一维非饱和土壤水流与溶质耦合运移问题的数学模型, 建立了求其数值解的守恒混合元-迎风广义差分格式. 对非线性土壤水分入渗方程, 采用守恒混合元法进行离散模拟, 同时得到了土壤含水量和水分通量; 而对对流-扩散形式的溶质运移方程, 利用迎风的广义差分法离散求解. 且分析了解的存在唯一性, 并讨论了误差估计. 最后给出数值算例, 模拟结果表明利用本文格式来求解非饱和土壤水流与溶质耦合运移问题是可靠的, 且该格式具有稳定性和可实用性.     

Modeling non-Darcian flow and solute transport in porous media with the Caputo–Fabrizio derivative

In this study, the non-Darcian flow and solute transport in porous media are modeled with a revised Caputo derivative called the Caputo–Fabrizio fractional derivative. The fractional Swartzendruber model is proposed for the non-Darcian flow in porous media. Furthermore, the normal diffusion equation is converted into a fractional diffusion equation in order to describe the diffusive transport in porous media. The proposed Caputo–Fabrizio fractional derivative models are addressed analytically by applying the Laplace transform method. Sensitivity analyses were performed for the proposed models according to the fractional derivative order. The fractional Swartzendruber model was validated based on experimental data for water flows in soil–rock mixtures. In addition , the fractional diffusion model was illustrated by fitting experimental data obtained for fluid flows and chloride transport in porous media. Both of the proposed fractional derivative models were highly consistent with the experimental results.     

Modeling of solute transport into sub-aqueous sediments

A model for investigating the solute transport into a sub-aqueous sediment bed, under an imposed standing water surface wave, is developed. Under the assumption of Darcy flow in the bed, a model based on a two-dimensional, unsteady advection–diffusion equation is derived; the relative roles of the advective and diffusive transport are characterized by a Peclet number, Pe. Two solutions for the equation are developed. The first is a basic control volume method using the power-law scheme. The second is a smear-free, modified upwind solution for the special case of Pe → ∞. Results, at a given time step, are reported in terms of a laterally averaged solute verse depth profile. The main result of the paper is to demonstrate that the one-dimensional solute concentration verse depth profile is essentially independent of any numerical dissipation present in the solute field predictions. This demonstration is achieved by (i) using an extensive grid refinement study, and (ii) by comparing Pe → ∞ predictions obtained with the basic and smear-free solutions.     

Modeling and analysis of reactive solute transport in deformable channels with wall adsorption–desorption

We show well posedness for a model of nonlinear reactive transport of chemical in a deformable channel. The channel walls deform due to fluid–structure interaction between an unsteady flow of an incompressible, viscous fluid inside the channel and elastic channel walls. Chemical solutes, which are dissolved in the viscous, incompressible fluid, satisfy a convection–diffusion equation in the bulk fluid, while on the deforming walls, the solutes undergo nonlinear adsorption–desorption physico‐chemical reactions. The problem addresses scenarios that arise, for example, in studies of drug transport in blood vessels. We show the existence of a unique weak solution with solute concentrations that are non‐negative for all times. The analysis of the problem is carried out in the context of semi‐linear parabolic PDEs on moving domains. The arbitrary Lagrangian–Eulerian approach is used to address the domain movement, and the Galerkin method with the Picard–Lindelöf theorem is used to prove existence and uniqueness of approximate solutions. Energy estimates combined with the compactness arguments based on the Aubin–Lions lemma are used to prove convergence of the approximating sequences to the unique weak solution of the problem. It is shown that the solution satisfies the positivity property, that is, that the density of the solute remains non‐negative at all times, as long as the prescribed fluid domain motion is ‘reasonable’. This is the first well‐posedness result for reactive transport problems defined on moving domains of this type. Copyright © 2015 John Wiley & Sons, Ltd.     

Modeling the drainage and groundwater table above the collecting pipe through 2D groundwater models

In order to understand the effects of the landfill operation on groundwater flow behavior, 2D horizontal groundwater simulation model was carried out. The model saved the memory of computer and time consumption comparing with 3D groundwater flow model. However, the most difficulty is the assignment of collecting pipe boundary in the study site. Therefore, 2D vertical model was applied to calculate the change of groundwater table above the collecting pipe. This paper paid attention to examine the validation of the assignment of the collecting pipe boundary by applying the results of 2D vertical model. 2D horizontal model was coupled with the recharge model to solve the partial differential equation of groundwater flow. Finite difference method and iterative successive over relaxation were applied. The drainage volume of leachate collection was summed up in the whole landfill site and compared with the average volume of treated waste water. The study demonstrated that the results of 2D vertical model validated and can be applied to 2D horizontal groundwater flow simulation.     

Analytical modelling of fractional advection–dispersion equation defined in a bounded space domain

The fractional advection–dispersion equation (FADE) known as its non-local dispersion, is used in groundwater hydrology and has been proven to be a reliable tool to model the transport of passive tracers carried by fluid flow in a porous media. In this paper, compact structures of FADE are investigated by means of the homotopy perturbation method with consideration of a promising scheme to calculate nonlinear terms. The problems are formulated in the Jumarie sense. Analytical and numerical results are presented.     

Generalized alternating-direction collocation methods for parabolic equations. II. Transport equations with application to seawater intrusion problems

The alternating-direction collocation (ADC) method combines the attractive computational features of a collocation spatial approximation and an alternating-direction time marching algorithm. The result is a very efficient solution procedure for parabolic partial differential equations. To date, the methodology has been formulated and demonstrated for second-order parabolic equations with insignificant first-order derivatives. However, when solving transport equations, significant first-order advection components are likely to be present. Therefore, in this paper, the ADC method is formulated and analyzed for the transport equation. The presence of first-order spatial derivatives leads to restrictions that are not present when only second-order derivatives appear in the governing equation. However, the method still appears to be applicable to a wide variety of transport systems. A formulation of the ADC algorithm for the nonlinear system of equations that describes density-dependent fluid flow and solute transport in porous media demonstrates this point. An example of seawater intrusion into coastal aquifers is solved to illustrate the applicability of the method. An alternating-direction collocation solution algorithm has been developed for the general transport equation. The procedure is analogous to that for the model parabolic equations considered by Celia and Pinder [2]. However, the presence of first-order spatial derivatives requires special attention in the ADC formulation and application. With proper implementation, the ADC procedure effectively combines the efficient equation formulation inherent in the collocation method with the efficient equation solving characteristics of alternating-direction time marching algorithms. To demonstrate the viability of the method for problems with complex velocity fields, the procedure was applied to the problem of density-dependent flow and contaminant transport in groundwaters. A standard example of seawater intrusion into coastal aquifers was solved to illustrate the applicability of the method and to demonstrate its potential use in practical problems.     

Analysis of an Euler implicit‐mixed finite element scheme for reactive solute transport in porous media

In this article, we analyze an Euler implicit‐mixed finite element scheme for a porous media solute transport model. The transporting flux is not assumed given, but obtained by solving numerically the Richards equation, a model for subsurface fluid flow. We prove the convergence of the scheme by estimating the error in terms of the discretization parameters. In doing so we take into account the numerical error occurring in the approximation of the fluid flow. The article, is concluded by numerical experiments, which are in good agreement with the theoretical estimates. © 2009 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2010     

New stochastic model for dispersion in heterogeneous porous media: 1. Application to unbounded domains

A new model of solute dispersion in porous media that avoids Fickian assumptions and that can be applied to variable drift velocities as in non-homogeneous or geometrically constricted aquifers, is presented. A key feature is the recognition that because drift velocity acts as a driving coefficient in the kinematical equation that describes random fluid displacements at the pore scale, the use of Ito calculus and related tools from stochastic differential equation theory (SPDE) is required to properly model interaction between pore scale randomness and macroscopic change of the drift velocity. Solute transport is described by formulating an integral version of the solute mass conservation equations, using a probability density. By appropriate linking of this to the related but distinct probability density arising from the kinematical SPDE, it is shown that the evolution of a Gaussian solute plume can be calculated, and in particular its time-dependent variance and hence dispersivity. Exact analytical solutions of the differential and integral equations that this procedure involves, are presented for the case of a constant drift velocity, as well as for a constant velocity gradient. In the former case, diffusive dispersion as familiar from the advection–dispersion equation is recovered. However, in the latter case, it is shown that there are not only reversible kinematical dispersion effects, but also irreversible, intrinsically stochastic contributions in excess of that predicted by diffusive dispersion. Moreover, this intrinsic contribution has a non-linear time dependence and hence opens up the way for an explanation of the strong observed scale dependence of dispersivity.     

Quantifying fate and transport of nitrate in saturated soil systems using fractional derivative model

Natural soil systems usually exhibit complex properties such as fractal geometry, resulting in complex dynamics for the movement of solutes and colloids in soils, such as the well-documented non-Fickian or anomalous diffusion for contaminant transport in saturated soils. The development of robust mathematical models to simulate anomalous diffusion for reactive contaminants at all relevant scales presents a contemporary problem in computational hydrology. This study aims to develop and validate a novel fractional derivative, advection-dispersion-reaction equation (fADRE) with first order decay to quantify nitrate contaminants transport in various soil systems. As an essential nutrient for crop growth, nitrogen in various forms (i.e., fertilizers) is typically applied to agricultural plots but a certain fraction or excess that is converted to nitrate or nitrite will serve as a critical pollutant to surface-water and groundwater. Applications show that the fADRE model can consider both hydrological and biogeochemical processes describing the fate and transport of nitrate in saturated soil. Here “fate” is a commonly used terminology in hydrology to describe the transformation and destination of pollutants in surface and subsurface water systems. The model is tested and validated using the results from three independent studies including: (1) nitrate transport in natural soil columns collected from the North China Plain agricultural pollution zone, (2) nitrate leaching from aridisols and entisols soil columns, and (3) two bacteria (Escherichia coli and Klebsiella sp.) transport through saturated soil columns. The qualitative relationship between model parameters and the target system properties (including soil physical properties, experimental conditions, and nitrate/bacteria physical and chemical properties) is also explored in detail, as well as the impact of chemical reactions on nitrate transport and fate dynamics. Results show that the fADRE can be a reliable mathematical model to quantify non-Fickian and reactive transport of chemicals in various soil systems, and it can also be used to describe other biological degradation and decay processes in soil. Hence, the mathematical model proposed by this study may help provide valuable insight on the quantification of various biogeochemical dynamics in complex soil systems, but needs to be tested in real-world applications in the future.     

Three-dimensional mixed finite element-finite volume approach for the solution of density-dependent flow in porous media

The density-dependent flow and transport problem in groundwater on three-dimensional triangulations is solved numerically by means of a mixed hybrid finite element scheme for the flow equation combined with a mixed hybrid finite element-finite volume (MHFE-FV) time-splitting-based technique for the transport equation. This procedure is analyzed and shown to be an effective tool in particular when the process is advection dominated or when density variations induce the formation of instabilities in the flow field. From a computational point of view, the most effective strategy turns out to be a combination of the MHFE and a spatially variable time-splitting technique in which the FV scheme is given by a second-order linear reconstruction based on the least-squares minimization and the Barth–Jespersen limiter. The recent saltpool problem introduced as a benchmark test for density-dependent solvers is used to verify the accuracy and reliability of this approach.     

Online surrogate multiobjective optimization algorithm for contaminated groundwater remediation designs

This paper proposes an online surrogate model-assisted multiobjective optimization framework to identify optimal remediation strategies for groundwater contaminated with dense non-aqueous phase liquids. The optimization involves three objectives: minimizing the remediation cost and duration and maximizing the contamination removal rate. The proposed framework adopts a multiobjective feasibility-enhanced particle swarm optimization algorithm to solve the optimization model and uses an online surrogate model as a substitute for the time-consuming multiphase flow model for calculating contamination removal rates during the optimization process. The resulting approach allows decision makers to find a balance among the remediation cost, remediation duration and contamination removal rate for remediating contaminated groundwater. The new algorithm is compared with the nondominated sorting genetic algorithm II, which is an extensively applied and well-known algorithm. The results show that the Pareto solutions obtained by the new algorithm have greater diversity and stability than those obtained by the nondominated sorting genetic algorithm II, indicating that the new algorithm is more applicable than the nondominated sorting genetic algorithm II for optimizing remediation strategies for contaminated groundwater. Additionally, the surrogate model and Pareto optimal set obtained by the proposed framework are compared with those of the offline surrogate model-assisted multiobjective optimization framework. The results indicate that the surrogate model accuracy and Pareto front achieved by the proposed framework outperform those of the offline surrogate model-assisted optimization framework. Thus, we conclude that the proposed framework can effectively enhance the surrogate model accuracy and further extend the comprehensive performance of Pareto solutions.     

Mathematical modeling and simulation of flow in domains separated by leaky semipermeable membrane including osmotic effect

In this paper, we propose a mathematical model for flow and transport processes of diluted solutions in domains separated by a leaky semipermeable membrane. We formulate transmission conditions for the flow and the solute concentration across the membrane which take into account the property of the membrane to partly reject the solute, the accumulation of rejected solute at the membrane, and the influence of the solute concentration on the volume flow, known as osmotic effect.     

对流扩散方程在成品油顺序输送混油分析中的应用

本文研究了对流与扩散对成品油顺序输送混油过程的影响;推导了紊流条件下,描述混油过程的对流占优的扩散方程;将该方程分解为纯对流方程和纯扩散方程,分别应用特征线法和差分法求解,数值计算结果和实际操作经验相符,能很好地解释混油的形成和发展.     

A new coupled model for alloy solidification

A new coupled model in the binary alloy solidification has been developed. The model is based on the cellular automaton (CA) technique to calculate the evolution of the interface governed by temperature, solute diffusion and Gibbs-Thomson effect. The diffusion equation of temperature with the release of latent heat on the solid/liquid (S/L) interface is valid in the entire domain. The temperature diffusion without the release of latent heat and solute diffusion are solved in the entire domain. In the interface cells, the     

A new coupled model for alloy solidification

A new coupled model in the binary alloy solidification has been developed. The model is based on the cellular automaton (CA) technique to calculate the evolution of the interface governed by temperature, solute diffusion and Gibbs-Thomson effect. The diffusion equation of temperature with the release of latent heat on the solid/liquid (S/L) interface is valid in the entire domain. The temperature diffusion without the release of latent heat and solute diffusion are solved in the entire domain. In the interface cells, the energy and solute conservation, thermodynamic and chemical potential equilibrium are adopted to calculate the temperature, solid concentration, liquid concentration and the increment of solid fraction. Compared with other models where the release of latent heat is solved in implicit or explicit form according to the solid/liquid (S/L) interface velocity, the energy diffusion and the release of latent heat in this model are solved at different scales, i.e. the macro-scale and micro-scale. The variation of solid fraction in this model is solved using several algebraic relations coming from the chemical potential equilibrium and thermodynamic equilibrium which can be cheaply solved instead of the calculation of S/L interface velocity. With the assumption of the solute conservation and energy conservation, the solid fraction can be directly obtained according to the thermodynamic data. This model is natural to be applied to multiple (< 2) spatial dimension case and multiple (< 2) component alloy. The morphologies of equiaxed dendrite are obtained in numerical experiments.