Section: New Software and Platforms

GRT3D

Functional Description 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.

• Participants: Yvan Crenner, Jocelyne Erhel

• Partner: ANDRA

• Contact: Jocelyne Erhel

• URL: http://www.irisa.fr/sage/recherche/chemistry.html