Pore-scale modelling of chemically induced effects on two-phase flow

We present a finite element-finite volume simulation method for modelling fluid flow and solute transport accompanied by chemical reactions in experimentally obtained 3D pore geometries. We solve the stationary Stokes equation on the computational domain with the FE method using the same set of nodes and the same order of basis functions for both velocity and pressure. The resulting linear system is solved by employing the algebraic multigrid library SAMG. To simulate large 3D samples we partition them into subdomains and treat each separately on a different computing node. This approach allows us to use meshes with millions of elements as input geometries without facing limitations in computer resources. We apply this method in a proof-of-concept study of a digitized Fontainebleau sandstone sample. We use the calculated velocity profile with the finite volume procedure to simulate pore-scale solute transport and diffusion. This allows us to demonstrate the correct emerging behaviour of sample s hydrodynamic dispersivity. Finally, we model the transport of an adsorbing solute and the surface coverage dynamics is demonstrated. This information can be used to estimate the local change of a sample wettability state and the ensuing changes of the two-phase flow characteristics.