A global method for coupling transport with chemistry in heterogeneous porous media
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Publication:1958705
DOI10.1007/S10596-009-9162-XzbMATH Open1425.76231arXiv0912.3867OpenAlexW2105669121MaRDI QIDQ1958705FDOQ1958705
Authors: Laila Amir, Michel Kern 
Publication date: 4 October 2010
Published in: Computational Geosciences (Search for Journal in Brave)
Abstract: Modeling reactive transport in porous media, using a local chemical equilibrium assumption, leads to a system of advection-diffusion PDE's coupled with algebraic equations. When solving this coupled system, the algebraic equations have to be solved at each grid point for each chemical species and at each time step. This leads to a coupled non-linear system. In this paper a global solution approach that enables to keep the software codes for transport and chemistry distinct is proposed. The method applies the Newton-Krylov framework to the formulation for reactive transport used in operator splitting. The method is formulated in terms of total mobile and total fixed concentrations and uses the chemical solver as a black box, as it only requires that on be able to solve chemical equilibrium problems (and compute derivatives), without having to know the solution method. An additional advantage of the Newton-Krylov method is that the Jacobian is only needed as an operator in a Jacobian matrix times vector product. The proposed method is tested on the MoMaS reactive transport benchmark.
Full work available at URL: https://arxiv.org/abs/0912.3867
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PDEs in connection with fluid mechanics (35Q35) Flows in porous media; filtration; seepage (76S05) Reaction effects in flows (76V05)
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Cited In (24)
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- A global implicit solver for miscible reactive multiphase multicomponent flow in porous media
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