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1.
A quasi three-dimensional (QUASI 3-D) model is presented for simulating the subsurface water flow and solute transport in the unsaturated and in the saturated zones of soil. The model is based on the assumptions of vertical flow in the unsaturated zone and essentially horizontal groundwater flow. The 1-D Richards equation for the unsaturated zone is coupled at the phreatic surface with the 2-D flow equation for the saturated zone. The latter was obtained by averaging 3-D flow equation in the saturated zone over the aquifer thickness. Unlike the Boussinesq equation for a leaky-phreatic aquifer, the developed model does not contain a storage term with specific yield and a source term for natural replenishment. Instead it includes a water flux term at the phreatic surface through which the Richards equation is linked with the groundwater flow equation. The vertical water flux in the saturated zone is evaluated on the basis of the fluid mass balance equation while the horizontal fluxes, in that equation, are prescribed by Darcy law. A 3-D transport equation is used to simulate the solute migration. A numerical algorithm to solve the problem for the general quasi 3-D case was developed. The developed methodology was exemplified for the quasi 2-D cross-sectional case (QUASI2D). Simulations for three synthetic problems demonstrate good agreement between the results obtained by QUASI2D and two fully 2-D flow and transport codes (SUTRA and 2DSOIL). Yet, simulations with the QUASI2D code were several times faster than those by the SUTRA and the 2DSOIL codes. 相似文献
2.
An efficient and accurate numerical model for multicomponent compressible single-phase flow in fractured media is presented. The discrete-fracture approach is used to model the fractures where the fracture entities are described explicitly in the computational domain. We use the concept of cross flow equilibrium in the fractures. This will allow large matrix elements in the neighborhood of the fractures and considerable speed up of the algorithm. We use an implicit finite volume (FV) scheme to solve the species mass balance equation in the fractures. This step avoids the use of Courant–Freidricks–Levy (CFL) condition and contributes to significant speed up of the code. The hybrid mixed finite element method (MFE) is used to solve for the velocity in both the matrix and the fractures coupled with the discontinuous Galerkin (DG) method to solve the species transport equations in the matrix. Four numerical examples are presented to demonstrate the robustness and efficiency of the proposed model. We show that the combination of the fracture cross-flow equilibrium and the implicit composition calculation in the fractures increase the computational speed 20–130 times in 2D. In 3D, one may expect even a higher computational efficiency. 相似文献
3.
《Advances in water resources》2002,25(4):439-453
A three-dimensional, reactive numerical flow model is developed that couples chemical reactions with density-dependent mass transport and fluid flow. The model includes equilibrium reactions for the aqueous species, kinetic reactions between the solid and aqueous phases, and full coupling of porosity and permeability changes that result from precipitation and dissolution reactions in porous media. A one-step, global implicit approach is used to solve the coupled flow, transport and reaction equations with a fully implicit upstream-weighted control volume discretization. The Newton–Raphson method is applied to the discretized non-linear equations and a block ILU-preconditioned CGSTAB method is used to solve the resulting Jacobian matrix equations. This approach permits the solution of the complete set of governing equations for both concentration and pressure simultaneously affected by chemical and physical processes. A series of chemical transport simulations are conducted to investigate coupled processes of reactive chemical transport and density-dependent flow and their subsequent impact on the development of preferential flow paths in porous media. The coupled effects of the processes driving flow and the chemical reactions occurring during solute transport is studied using a carbonate system in fully saturated porous media. Results demonstrate that instability development is sensitive to the initial perturbation caused by density differences between the solute plume and the ambient groundwater. If the initial perturbation is large, then it acts as a “trigger” in the flow system that causes instabilities to develop in a planar reaction front. When permeability changes occur due to dissolution reactions occurring in the porous media, a reactive feedback loop is created by calcite dissolution and the mixed convective transport of the system. Although the feedback loop does not have a significant impact on plume shape, complex concentration distributions develop as a result of the instabilities generated in the flow system. 相似文献
4.
Many popular groundwater modeling codes are based on the finite differences or finite volume method for orthogonal grids. In cases of complex subsurface geometries this type of grid either leads to coarse geometric representations or to extremely fine meshes. We use a coordinate transformation method (CTM) to circumvent this shortcoming. In computational fluid dynamics (CFD), this method has been applied successfully to the general Navier–Stokes equation. The method is based on tensor analysis and performs a transformation of a curvilinear into a rectangular unit grid, on which a modified formulation of the differential equations is applied. Therefore, it is not necessary to reformulate the code in total. We applied the CTM to an existing three-dimensional code (SHEMAT), a simulator for heat conduction and advection in porous media. The finite volume discretization scheme for the non-orthogonal, structured, hexahedral grid leads to a 19-point stencil and a correspondingly banded system matrix. The implementation is straightforward and it is possible to use some existing routines without modification. The accuracy of the modified code is demonstrated for single phase flow on a two-dimensional analytical solution for flow and heat transport. Additionally, a simple case of potential flow is shown for a two-dimensional grid which is increasingly deformed. The result reveals that the corresponding error increases only slightly. Finally, a thermal free-convection benchmark is discussed. The result shows, that the solution obtained with the new code is in good agreement with the ones obtained by other codes. 相似文献
5.
Various numerical methods have been used in the literature to simulate single and multiphase flow in fractured media. A promising approach is the use of the discrete-fracture model where the fracture entities in the permeable media are described explicitly in the computational grid. In this work, we present a critical review of the main conventional methods for multiphase flow in fractured media including the finite difference (FD), finite volume (FV), and finite element (FE) methods, that are coupled with the discrete-fracture model. All the conventional methods have inherent limitations in accuracy and applications. The FD method, for example, is restricted to horizontal and vertical fractures. The accuracy of the vertex-centered FV method depends on the size of the matrix gridcells next to the fractures; for an acceptable accuracy the matrix gridcells next to the fractures should be small. The FE method cannot describe properly the saturation discontinuity at the matrix–fracture interface. In this work, we introduce a new approach that is free from the limitations of the conventional methods. Our proposed approach is applicable in 2D and 3D unstructured griddings with low mesh orientation effect; it captures the saturation discontinuity from the contrast in capillary pressure between the rock matrix and fractures. The matrix–fracture and fracture–fracture fluxes are calculated based on powerful features of the mixed finite element (MFE) method which provides, in addition to the gridcell pressures, the pressures at the gridcell interfaces and can readily model the pressure discontinuities at impermeable faults in a simple way. To reduce the numerical dispersion, we use the discontinuous Galerkin (DG) method to approximate the saturation equation. We take advantage of a hybrid time scheme to alleviate the restrictions on the size of the time step in the fracture network. Several numerical examples in 2D and 3D demonstrate the robustness of the proposed model. Results show the significance of capillary pressure and orders of magnitude increase in computational speed compared to previous works. 相似文献
6.
The transport of contaminants in aquifers is usually represented by a convection-dispersion equation. There are several well-known problems of oscillation and artificial dispersion that affect the numerical solution of this equation. For example, several studies have shown that standard treatment of the cross-dispersion terms always leads to a negative concentration. It is also well known that the numerical solution of the convective term is affected by spurious oscillations or substantial numerical dispersion. These difficulties are especially significant for solute transport in nonuniform flow in heterogeneous aquifers. For the case of coupled reactive-transport models, even small negative concentration values can become amplified through nonlinear reaction source/sink terms and thus result in physically erroneous and unstable results. This paper includes a brief discussion about how nonpositive concentrations arise from numerical solution of the convection and cross-dispersion terms. We demonstrate the effectiveness of directional splitting with one-dimensional flux limiters for the convection term. Also, a new numerical scheme for the dispersion term that preserves positivity is presented. The results of the proposed convection scheme and the solution given by the new method to compute dispersion are compared with standard numerical methods as used in MT3DMS. 相似文献
7.
Solute transport is usually modeled by the advection-dispersion-reaction equation. In the standard approach, mechanical dispersion is a tensor with principal directions parallel and perpendicular to the flow vector. Since realistic scenarios include nonuniform and unsteady flow fields, the governing equation has full tensor mechanical dispersion. When conventional grid-based numerical methods are used, approximation of the cross terms arising from the off-diagonal terms cause nonphysical solution with oscillations. As an example, for the common scenario of contaminant input into a domain with zero initial concentration, the cross-dispersion terms can result in negative concentrations that can wreak havoc in reactive transport applications. To address this issue, we use the well-known flux-corrected-transport (FCT) technique for a standard finite volume method. Although FCT has most often been used to eliminate oscillations resulting from discretization of the advection term for explicit time stepping, we show that it can be adapted for full-tensor dispersion and implicit time stepping. Unlike other approaches based on new discretization techniques (e.g., mimetic finite difference, nonlinear finite volume), FCT has the advantage of being flexible and widely applicable. Implementation of FCT requires solving an additional system of equations at each time step, using a modified “low order” matrix and a modified right-hand-side vector. To demonstrate the flexibility of FCT, we have modified the well-known and widely used groundwater solute transport simulator, MT3DMS. We apply the new simulator, MT3DMS-FCT, to several benchmark problems that suffer from negative concentrations when using MT3DMS. The new results are mass conservative and strictly nonnegative. 相似文献
8.
This is Part-II of a two-part article that presents analytical solutions to multi-species reactive transport equations coupled through sorption and sequential first-order reactions. In Part-I, we provide the mathematical derivations and in this article we discuss the computational techniques for implementing these solutions. We adopt these techniques to develop a general computer code and use it to verify the solutions. We also simplify the general solutions for various special-case transport scenarios involving zero initial condition, identical retardation factors and zero advection. In addition to this, we derive specialized solution expressions for zero dispersion and steady-state conditions. Whereever possible, we compare these special-case solutions against previously published analytical solutions to establish the validity of the new solution. Finally, we test the new solution against other published analytical and semi-analytical solutions using a set of example problems. 相似文献
9.
Analytical solutions for the water flow and solute transport equations in the unsaturated zone are presented. We use the Broadbridge and White nonlinear model to solve the Richards’ equation for vertical flow under a constant infiltration rate. Then we extend the water flow solution and develop an exact parametric solution for the advection-dispersion equation. The method of characteristics is adopted to determine the location of a solute front in the unsaturated zone. The dispersion component is incorporated into the final solution using a singular perturbation method. The formulation of the analytical solutions is simple, and a complete solution is generated without resorting to computationally demanding numerical schemes. Indeed, the simple analytical solutions can be used as tools to verify the accuracy of numerical models of water flow and solute transport. Comparison with a finite-element numerical solution indicates that a good match for the predicted water content is achieved when the mesh grid is one-fourth the capillary length scale of the porous medium. However, when numerically solving the solute transport equation at this level of discretization, numerical dispersion and spatial oscillations were significant. 相似文献
10.
Most numerical schemes applied to solve the advection–diffusion equation are affected by numerical diffusion. Moreover, unphysical results, such as oscillations and negative concentrations, may emerge when an anisotropic dispersion tensor is used, which induces even more severe errors in the solution of multispecies reactive transport. To cope with this long standing problem we propose a modified version of the standard Smoothed Particle Hydrodynamics (SPH) method based on a Moving-Least-Squares-Weighted-Essentially-Non-Oscillatory (MLS-WENO) reconstruction of concentrations. This scheme formulation (called MWSPH) approximates the diffusive fluxes with a Rusanov-type Riemann solver based on high order WENO scheme. We compare the standard SPH with the MWSPH for different a few test cases, considering both homogeneous and heterogeneous flow fields and different anisotropic ratios of the dispersion tensor. We show that, MWSPH is stable and accurate and that it reduces the occurrence of negative concentrations compared to standard SPH. When negative concentrations are observed, their absolute values are several orders of magnitude smaller compared to standard SPH. In addition, MWSPH limits spurious oscillations in the numerical solution more effectively than classical SPH. Convergence analysis shows that MWSPH is computationally more demanding than SPH, but with the payoff a more accurate solution, which in addition is less sensitive to particles position. The latter property simplifies the time consuming and often user dependent procedure to define the initial dislocation of the particles. 相似文献
11.
Comparison of finite difference and finite element solutions to the variably saturated flow equation
《Journal of Hydrology》2003,270(1-2):49-64
Numerical solutions to the equation governing variably saturated flow are usually obtained using either the finite difference (FD) method or the finite element (FE) method. A detailed comparison of these methods shows that the main difference between them is in how the numerical schemes spatially average the variation of material properties. Further differences are also observed in the way that flux boundaries are represented in FE and FD methods. A modified finite element (MFE) algorithm is used to explore the significance of these differences. The MFE algorithm enables a direct comparison with a typical FD solution scheme, and explicitly demonstrates the differences between FE and FD methods. The MFE algorithm provides an improved approximation to the partial differential equation over the usual FD approach while being computationally simpler to implement than the standard FE solution. One of the main limitations of the MFE algorithm is that the algorithm was developed by imposing several restrictions upon the more general FE solution; however, the MFE is shown to be preferable over the usual FE and FD solutions for some of the test problems considered in this study. The comparison results show that the FE (or MFE) solution can avoid the erroneous results encountered in the FD solution for coarsely discretized problems. The improvement in the FE solution is attributed to the broader hydraulic conductivity averaging and differences in the representation of flux type boundaries. 相似文献
12.
Modeling Multispecies Reactive Transport in Ground Water 总被引：2，自引：0，他引：2
T.P. Clement Y. Sun B.S. Hooker J.N. Petersen 《Ground Water Monitoring & Remediation》1998,18(2):79-92
13.
Due to complex dynamics inherent in the physical models, numerical formulation of subsurface and overland flow coupling can be challenging to solve. ParFlow is a subsurface flow code that utilizes a structured grid discretization in order to benefit from fast and efficient structured solvers. Implicit coupling between subsurface and overland flow modes in ParFlow is obtained by prescribing an overland boundary condition at the top surface of the computational domain. This form of implicit coupling leads to the activation and deactivation of the overland boundary condition during simulations where ponding or drying events occur. This results in a discontinuity in the discrete system that can be challenging to resolve. Furthermore, the coupling relies on unstructured connectivities between the subsurface and surface components of the discrete system, which makes it challenging to use structured solvers to effectively capture the dynamics of the coupled flow. We present a formulation of the discretized algebraic system that enables the use of an analytic form of the Jacobian for the Newton–Krylov solver, while preserving the structured properties of the discretization. An effective multigrid preconditioner is extracted from the analytic Jacobian and used to precondition the Jacobian linear system solver. We compare the performance of the new solver against one that uses a finite difference approximation to the Jacobian within the Newton–Krylov approach, previously used in the literature. Numerical results explores the effectiveness of using the analytic Jacobian for the Newton–Krylov solver, and highlights the performance of the new preconditioner and its cost. The results indicate that the new solver is robust and generally outperforms the solver that is based on the finite difference approximation to the Jacobian, for problems where the overland boundary condition is activated and deactivated during the simulation. A parallel weak scaling study highlights the efficiency of the new solver. 相似文献
14.
Ryan T. Bailey Eric D. Morway Richard G. Niswonger Timothy K. Gates 《Ground water》2013,51(5):752-761
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. 相似文献
15.
Random walk models of fluvial sediment transport recognize that grains move intermittently, with short duration steps separated by rests that are comparatively long. These models are built upon the probability distributions of the step length and the resting time. Motivated by these models, tracer experiments have attempted to measure directly the steps and rests of sediment grains in natural streams. This paper describes results from a large tracer experiment designed to test stochastic transport models. We used passive integrated transponder (PIT) tags to label 893 coarse gravel clasts and placed them in Halfmoon Creek, a small alpine stream near Leadville, Colorado, USA. The PIT tags allow us to locate and identify tracers without picking them up or digging them out of the streambed. They also enable us to find a very high percentage of our rocks, 98% after three years and 96% after the fourth year. We use the annual tracer displacement to test two stochastic transport models, the Einstein–Hubbell–Sayre (EHS) model and the Yang–Sayre gamma‐exponential model (GEM). We find that the GEM is a better fit to the observations, particularly for slower moving tracers and suggest that the strength of the GEM is that the gamma distribution of step lengths approximates a compound Poisson distribution. Published in 2012. This article is a US Government work and is in the public domain in the USA. 相似文献
16.
Marsha J. BergerDavid L. George Randall J. LeVequeKyle T. Mandli 《Advances in water resources》2011,34(9):1195-1206
Many geophysical flow or wave propagation problems can be modeled with two-dimensional depth-averaged equations, of which the shallow water equations are the simplest example. We describe the GeoClaw software that has been designed to solve problems of this nature, consisting of open source Fortran programs together with Python tools for the user interface and flow visualization. This software uses high-resolution shock-capturing finite volume methods on logically rectangular grids, including latitude-longitude grids on the sphere. Dry states are handled automatically to model inundation. The code incorporates adaptive mesh refinement to allow the efficient solution of large-scale geophysical problems. Examples are given illustrating its use for modeling tsunamis and dam-break flooding problems. Documentation and download information is available at www.clawpack.org/geoclaw. 相似文献
17.
K. Gessner M. Kühn V. Rath C. Kosack M. Blumenthal C. Clauser 《Surveys in Geophysics》2009,30(3):133-162
Hydrothermal systems are characterised by complex interactions between heat transfer, fluid flow, deformation, species transport and chemical reactions. Numerical models can provide quantitatively constrained information in regions where acquisition of new data is difficult or expensive thus providing a means for reducing risks, costs, and effort during targeting, production, and management of resources linked to hydrothermal systems. Here we show how numerical simulations of hydrothermal processes can be used to better understand coupled reactive transport in modern geothermal systems and in ancient hydrothermal ore deposits. We give examples based on the Enhanced Geothermal System at Soultz-sous-Forêts in France, hydrothermal mineralisation at Mount Isa in Australia, and the geothermal resource at Hamburg-Allermöhe in Germany. 相似文献
18.
We present an extended law of mass-action (xLMA) method for multiphase equilibrium calculations and apply it in the context of reactive transport modeling. This extended LMA formulation differs from its conventional counterpart in that (i) it is directly derived from the Gibbs energy minimization (GEM) problem (i.e., the fundamental problem that describes the state of equilibrium of a chemical system under constant temperature and pressure); and (ii) it extends the conventional mass-action equations with Lagrange multipliers from the Gibbs energy minimization problem, which can be interpreted as stability indices of the chemical species. Accounting for these multipliers enables the method to determine all stable phases without presuming their types (e.g., aqueous, gaseous) or their presence in the equilibrium state. Therefore, the here proposed xLMA method inherits traits of Gibbs energy minimization algorithms that allow it to naturally detect the phases present in equilibrium, which can be single-component phases (e.g., pure solids or liquids) or non-ideal multi-component phases (e.g., aqueous, melts, gaseous, solid solutions, adsorption, or ion exchange). Moreover, our xLMA method requires no technique that tentatively adds or removes reactions based on phase stability indices (e.g., saturation indices for minerals), since the extended mass-action equations are valid even when their corresponding reactions involve unstable species. We successfully apply the proposed method to a reactive transport modeling problem in which we use PHREEQC and GEMS as alternative backends for the calculation of thermodynamic properties such as equilibrium constants of reactions, standard chemical potentials of species, and activity coefficients. Our tests show that our algorithm is efficient and robust for demanding applications, such as reactive transport modeling, where it converges within 1–3 iterations in most cases. The proposed xLMA method is implemented in Reaktoro, a unified open-source framework for modeling chemically reactive systems. 相似文献
19.
A three-dimensional finite-volume ELLAM method has been developed, tested, and successfully implemented as part of the U.S. Geological Survey (USGS) MODFLOW-2000 ground water modeling package. It is included as a solver option for the Ground Water Transport process. The FVELLAM uses space-time finite volumes oriented along the streamlines of the flow field to solve an integral form of the solute-transport equation, thus combining local and global mass conservation with the advantages of Eulerian-Lagrangian characteristic methods. The USGS FVELLAM code simulates solute transport in flowing ground water for a single dissolved solute constituent and represents the processes of advective transport, hydrodynamic dispersion, mixing from fluid sources, retardation, and decay. Implicit time discretization of the dispersive and source/sink terms is combined with a Lagrangian treatment of advection, in which forward tracking moves mass to the new time level, distributing mass among destination cells using approximate indicator functions. This allows the use of large transport time increments (large Courant numbers) with accurate results, even for advection-dominated systems (large Peclet numbers). Four test cases, including comparisons with analytical solutions and benchmarking against other numerical codes, are presented that indicate that the FVELLAM can usually yield excellent results, even if relatively few transport time steps are used, although the quality of the results is problem-dependent. 相似文献
20.
M. Kühn 《Surveys in Geophysics》2009,30(3):233-251
Coupled reactive transport models of hydrothermal systems provide new insights and deeper understanding of the processes occurring
due to fluid flow, heat transfer, solute transport, and chemical reactions. Basic concepts of species transport (diffusion,
dispersion, and advection) and chemical precipitation and dissolution reactions are discussed, and five end-member types of
reactive transport environments are introduced. One of these reactive transport environments, named ‘reactions within thermal
gradients’, is used to demonstrate how free thermal convection can lead to redeposition of minerals and, due to the feedback
of reaction on the flow field, a change of the convection pattern. The direct consequence of changing the flow field is a
significant variation of the temperature distribution within the modelled area. With the example it is shown how reactive
transport simulation can be applied for the detailed study of fossil and recent hydrothermal systems. 相似文献