Numerical simulation of geochemical compaction with discontinuous reactions

Abstract

The present work deals with the numerical simulation of porous media subject to the coupled effects of mechanical compaction and reactive flows that can significantly alter the porosity due to dissolution, precipitation or transformation of the solid matrix. These chemical processes can be effectively modelled as ODEs with discontinuous right hand side, where the discontinuity depends on time and on the solution itself. Filippov theory can be applied to prove existence and to determine the solution behaviour at the discontinuities. From the numerical point of view, tailored numerical schemes are needed to guarantee positivity, mass conservation and accuracy. In particular, we rely on an event-driven approach such that, if the trajectory crosses a discontinuity, the transition point is localized exactly and integration is restarted accordingly.