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Reactive transport modelling with a coupled OpenFOAM ® -PHREEQC platform

Saideep Pavuluri 1, 2, 3, * Christophe Tournassat 1, 4, 3 Francis Claret 2 Cyprien Soulaine 1, 5 
* Corresponding author
3 Biogéosystèmes Continentaux - UMR7327
ISTO - Institut des Sciences de la Terre d'Orléans - UMR7327 : UMR7327
5 Milieux Poreux - UMR7327
ISTO - Institut des Sciences de la Terre d'Orléans - UMR7327 : UMR7327
Abstract : Reactive transport modelling has established itself as a key player to analyze sophisticated hydrogeochemical interactions that occur over spatio-temporal scales on par with subsurface applications. In this paper, we benchmarked a new reactive transport package-porousMedia4Foam at the continuum-scale considering complex and well established cases available in the reactive transport modelling community. porousMedia4Foam was born by the successful coupling of two open-source packages-OpenFOAM ® and PHREEQC. The flow governing equations, transport of species and the evolution of porous media properties are handled by OpenFOAM ® whereas, the geochemistry is exclusively handled by PHREEQC. We further demonstrated the capability of using porousMedia4Foam to investigate reactive transport processes considering unstructured meshes. As porousMedia4Foam is an open-source package with included benefits to account for reactive transport processes occurring at various scales-pore-, hybrid-, and, Darcy-scales, we believe that porousMedia4Foam opens a new dimension to analyze reactive transport physics for various intriguing subsurface applications.
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Submitted on : Thursday, October 20, 2022 - 1:34:10 PM
Last modification on : Wednesday, October 26, 2022 - 3:54:50 AM

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Saideep Pavuluri, Christophe Tournassat, Francis Claret, Cyprien Soulaine. Reactive transport modelling with a coupled OpenFOAM ® -PHREEQC platform. Transport in Porous Media, 2022, 145, pp.475-504. ⟨10.1007/s11242-022-01860-x⟩. ⟨insu-03822527⟩

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