Micro-continuum approach for mineral precipitation

Sci Rep. 2021 Feb 10;11(1):3495. doi: 10.1038/s41598-021-82807-y.

Abstract

Rates and extents of mineral precipitation in porous media are difficult to predict, in part because laboratory experiments are problematic. It is similarly challenging to implement numerical methods that model this process due to the need to dynamically evolve the interface of solid material. We developed a multiphase solver that implements a micro-continuum simulation approach based on the Darcy-Brinkman-Stokes equation to study mineral precipitation. We used the volume-of-fluid technique in sharp interface implementation to capture the propagation of the solid mineral surface. Additionally, we utilize an adaptive mesh refinement method to improve the resolution of near interface simulation domain dynamically. The developed solver was validated against both analytical solution and Arbitrary Lagrangian-Eulerian approach to ensure its accuracy on simulating the propagation of the solid interface. The precipitation of barite (BaSO4) was chosen as a model system to test the solver using variety of simulation parameters: different geometrical constraints, flow conditions, reaction rate and ion diffusion. The growth of a single barite crystal was simulated to demonstrate the solver's capability to capture the crystal face specific directional growth.