A semi-Lagrangian method for the direct numerical simulation of crystallization and precipitation at the pore scale

TL;DR

This paper presents a novel semi-Lagrangian particle method for simulating crystallization and precipitation at the pore scale, integrating porous media flow, chemistry, and adsorption models, with applications to mineral CO2 trapping.

Contribution

It introduces a new efficient particle-based simulation method coupling flow, chemistry, and adsorption for pore-scale mineral processes, including a novel non-dimensional number for regime characterization.

Findings

Successfully simulates dissolution, crystallization, and precipitation processes.

Identifies clogging and non-clogging regimes in mineral trapping.

Introduces a new non-dimensional number for process characterization.

Abstract

This article introduces a new efficient particle method for the numerical simulation of crystallization and precipitation at the pore scale of real rock geometries extracted by X-Ray tomography. It is based on the coupling between superficial velocity models of porous media, Lagrangian description of chemistry using Transition-State-Theory, involving underlying grids. Its ability to successfully compute dissolution process has been established in the past and is presently generalized to precipitation and crystallization by means of adsorption modeling. Numerical simulations of mineral CO2 trapping are provided, showing evidence of clogging/non-clogging regimes, and one of the main results is the introduction of a new non-dimensional number needed for this characterization.