swMATH ID: 31182
Software Authors: Caroline De Dieuleveult, Édouard Canot, Jocelyne Erhel, Nadir Soualem, Souhila Sabit
Description: GRT3D: Reactive transport modeling has become an essential tool for understanding complex environmental problems. It is an important issue for MoMaS and C2S@EXA partners, in particular Andra. We have developed a method coupling transport and chemistry, based on a method of lines such that spatial discretization leads to a semi-discrete system of algebraic differential equations (DAE system). The main advantage is to use a complex DAE solver, which controls simultaneously the timestep and the convergence of Newton algorithm. The approach SIA uses a fixed-point method to solve the nonlinear system at each timestep, whereas the approach SNIA uses an explicit scheme. The software suite GRT3D has four executable modules: SIA1D: Sequential Iterative Approach for 1D domains, GDAE1D: Global DAE approach for 1D domains, SNIA3D: Sequential Non Iterative Approach for 1D, 2D or 3D domains. GDAE3D: Global DAE approach for 1D, 2D or 3D domains. This module has three variants: the original one with logarithms, an optimized one still with logarithms, an optimized one which does not use logarithms.
Homepage: https://raweb.inria.fr/rapportsactivite/RA2017/fluminance/uid55.html
Cited in: 1 Publication

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