Numerical aspects of modelling of coupled chemical reactions and fluid flow in sedimentary basins

摘要

Simulation of coupled chemical reactions and fluid flow in porous sedimentary basins, through long time periods, is a numerical challenge. In most models available today the equations representing such a physical problem are solved as PDEs (Partial Differential Equation) where efficient time-stepping with controlled error is very difficult. The DAE (Differential Algebraic Equation) system approach is used where robust adaptive time-stepping algorithms are available in solvers. In this report mathematical and numerical models are derived for coupled chemical reactions and fluid flow. The models have several interesting properties which are discussed. The performance of code is tested. 20 refs., 6 figs., 2 tabs.