Comparison of numerical methods for reactive transport modeling in porous media

Thibault Faney
IFPEN, Parigi (Francia)
Thursday 16th June 2016
Sala Consiglio al VII Piano presso Dipartimento di Matematica, Politecnico di Milano
Reactive transport numerical models [1] are used to predict temperature and pressure variations, brine and gas phases displacement, and chemical effects of gas-water-rock interactions in porous media. One of the main challenges of these models is to accurately represent the coupling between transport phenomena and mass transfer occurring in sub-surface porous media. In a previous work [2], we have introduced a new mathematical formulation to handle the phase appearance and disappearance issues associated with multi-component, multi-phase flow combined with stoichiometric mass transfer. In this work, we compare our formulation with an implementation of a splitting scheme between flow, transport and chemical reactions [3] on a larger range of benchmark problems associated with complex chemical equilibria. Both formulations are implemented in a three-dimensional multi-phase flow code using the HPC numerical framework Arcane [4]. We discuss the gain in robustness, performance and accuracy for the fully implicit method relative to the more traditional splitting algorithm. References: [1] C.I. Steefel et al., Reactive transport modeling: An essential tool and a new research approach for the Earth sciences, Earth and Planetary Science Letters, 240, 539–55, 2005. [2] T.Faney, A.Michel and Q.L.Nguyen, A mathematical formulation for reactive transport in porous media adapted to CO2 sequestration, SIAM 2015 Computational Geosciences. [3] C. de Dieuleveult, J.Erhel and M.Kern, A global strategy for solving reactive transport equations, Journal of Computational Physics, 228 6395-6410, 2009. [4] Grospellier, G. et al., The Arcane Development Framework, POOSC’09, Genova, Italy, 2009 contatto: