Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set

Sergi Molins (1) , Cyprien Soulaine (2, 3) , N. I. Prasianakis (4) , Aida Abbasi (4) , Philippe Poncet (5) , Anthony J. C. Ladd (6) , Vitalii Starchenko (7) , Sophie Roman (2, 3) , David Trebotich (1) , Hamdi A. Tchelepi (8) , Carl I. Steefel (1)

1 LBNL - Lawrence Berkeley National Laboratory [Berkeley]
2 ISTO - Institut des Sciences de la Terre d'Orléans - UMR7327
3 Milieux Poreux - UMR7327
4 PSI - Paul Scherrer Institute
5 LMAP - Laboratoire de Mathématiques et de leurs Applications [Pau]
6 UF - University of Florida [Gainesville]
7 ORNL - Oak Ridge National Laboratory [Oak Ridge]
8 ERE - Department of Energy Resources Engineering [Stanford]

This manuscript presents a benchmark problem for the simulation of single-phase flow, reactive transport, and solid geometry evolution at the pore scale. The problem is organized in three parts that focus on specific aspects: flow and reactive transport (part I), dissolution-driven geometry evolution in two dimensions (part II), and an experimental validation of three-dimensional dissolution-driven geometry evolution (part III). Five codes are used to obtain the solution to this benchmark problem, including Chombo-Crunch, OpenFOAM-DBS, a lattice Boltzman code, Vortex, and dissolFoam. These codes cover a good portion of the wide range of approaches typically employed for solving pore-scale problems in the literature, including discretization methods, characterization of the fluid-solid interfaces, and methods to move these interfaces as a result of fluid-solid reactions. A short review of these approaches is given in relation to selected published studies. Results from the simulations performed by the five codes show remarkable agreement both quantitatively-based on upscaled parameters such as surface area, solid volume, and effective reaction rate-and qualitatively-based on comparisons of shape evolution. This outcome is especially notable given the disparity of approaches used by the codes. Therefore, these results establish a strong benchmark for the validation and testing of pore-scale codes developed for the simulation of flow and reactive transport with evolving geometries. They also underscore the significant advances seen in the last decade in tools and approaches for simulating this type of problem.

Mots clés: pore scale; review of approaches; reactive transport; moving boundary; benchmark

Domaines: Analyse numérique [math.NA]; Géophysique [physics.geo-ph]

Sergi Molins, Cyprien Soulaine, N. I. Prasianakis, Aida Abbasi, Philippe Poncet, et al.. Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set. Computational Geosciences, 2020, ⟨10.1007/s10596-019-09903-x⟩. ⟨hal-02387321⟩