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Register a new userGlobal random walk solvers for reactive transport and biodegradation processes in heterogeneous porous media
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Added by
Nicolae Suciu
Publication date
2021
fields
Informatics Engineering
and research's language is
English
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Flow and multicomponent reactive transport in saturated/unsaturated porous media are modeled by ensembles of computational particles moving on regular lattices according to specific random walk rules. The occupation number of the lattice sites is updated with a global random walk (GRW) procedure which simulates the evolution of the ensemble with computational costs comparable to those for a single random walk simulation in sequential procedures. To cope with the nonlinearity and the degeneracy of the Richards equation the GRW flow solver uses linearization techniques similar to the $L$-scheme developed in finite element/volume approaches. Numerical schemes for reactive transport, coupled with the flow solver via numerical solutions for saturation and water flux, are implemented in splitting procedures. Diffusion-advection steps are solved by GRW algorithms using either biased or unbiased random walk probabilities. Since the number of particles in GRW simulations can be as large as the number of molecules involved in chemical reactions, one avoids the cumbersome problem of rescaling particle densities to approximate concentrations. Reaction steps are therefore formulated in terms of concentrations, as in deterministic approaches. The numerical convergence of the new schemes is demonstrated by comparisons with manufactured analytical solutions. Coupled flow and reactive transport problems of contaminant biodegradation described by the Monod model are further solved and the influence of flow nonlinearity/degeneracy and of the spatial heterogeneity of the medium is investigated numerically.
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In this article, we present new random walk methods to solve flow and transport problems in unsaturated/saturated porous media, including coupled flow and transport processes in soils, heterogeneous systems modeled through random hydraulic conductivity and recharge fields, processes at the field and regional scales. The numerical schemes are based on global random walk algorithms (GRW) which approximate the solution by moving large numbers of computational particles on regular lattices according to specific random walk rules. To cope with the nonlinearity and the degeneracy of the Richards equation and of the coupled system, we implemented the GRW algorithms by employing linearization techniques similar to the $L$-scheme developed in finite element/volume approaches. The resulting GRW $L$-schemes converge with the number of iterations and provide numerical solutions that are first-order accurate in time and second-order in space. A remarkable property of the flow and transport GRW solutions is that they are practically free of numerical diffusion. The GRW solutions are validated by comparisons with mixed finite element and finite volume solutions in one- and two-dimensional benchmark problems. They include Richards equation fully coupled with the advection-diffusion-reaction equation and capture the transition from unsaturated to saturated flow regimes. For completeness, we also consider decoupled flow and transport model problems for saturated aquifers.
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