A global strategy for solving reactive transport equations

Abstract

Reactive transport models are complex nonlinear Partial Differential Algebraic Equations (PDAE), coupling the transport engine with the geochemical operator. We propose an efficient and robust global numerical method, based on a method of lines and Differential Algebraic Equations (DAE) solvers, combined with a Newton method using a powerful sparse linear solver. Numerical experiments show the performances of the method. We also propose a unified framework to describe classical methods such as Sequential Non-Iterative Approach, Sequential Iterative Approach, Direct Substitution Approach and compare them with our global method.