Section: Software

GRT3D

Participants : Édouard Canot, Jocelyne Erhel [correspondant] , Souhila Sabit.

• Version: version 1.0, April 2011

• APP: registered

• Programming language: C

• Abstract: Reactive transport modeling has become an essential tool for understanding complex environmental problems. It is an important issue for MoMaS partners (see section 8.1.7 ), in particular Andra (see section 7.1 ). 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. Another approach, called SIA, is to use a fixed-point method to solve the nonlinear system at each timestep.

  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.

• Current work: extension of the chemistry module and reduction of CPU time.