Work

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

Year: 2025

Type: article

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.

Source: Frontiers in Earth Science

DOI: 10.3389/feart.2025.1493305

Authors: Sarah Perez, Jean-Matthieu Etancelin, Philippe Poncet

Institutions: Centre National de la Recherche Scientifique, Université de Pau et des Pays de l'Adour, Heriot-Watt University, Laboratoire de Mathématiques et de leurs Applications

Language: English

Topic: CO2 Sequestration and Geologic Interactions

Subfield: Environmental Engineering

Field: Environmental Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $3,801

Funders: Agence Nationale de la Recherche, Association Instituts Carnot, Institut Carnot Santé Animale, Université de Pau et des Pays de l'Adour