Improved Volume-Of-Solid Formulations for Micro-Continuum Simulation of Mineral Dissolution at the Pore-Scale
We present two novel Volume-of-Solid (VoS) formulations for micro-continuum simulation of mineral dissolution at the pore-scale. The traditional VoS formulation (VoS-ψ) uses a diffuse interface localization function ψ to ensure stability and limit diffusion of the reactive surface. The main limitati...
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2022-07-01
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| Series: | Frontiers in Earth Science |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/feart.2022.917931/full |
| _version_ | 1828779789729660928 |
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| author | Julien Maes Cyprien Soulaine Hannah P. Menke |
| author_facet | Julien Maes Cyprien Soulaine Hannah P. Menke |
| author_sort | Julien Maes |
| collection | DOAJ |
| description | We present two novel Volume-of-Solid (VoS) formulations for micro-continuum simulation of mineral dissolution at the pore-scale. The traditional VoS formulation (VoS-ψ) uses a diffuse interface localization function ψ to ensure stability and limit diffusion of the reactive surface. The main limitation of this formulation is that accuracy is strongly dependent on the choice of the localization function. Our first novel improved formulation (iVoS) uses the divergence of a reactive flux to localize the reaction at the fluid-solid interface, so no localization function is required. Our second novel formulation (VoS-ψ′) uses a localization function with a parameter that is fitted to ensure that the reactive surface area is conserved globally. Both novel methods are validated by comparison with experiments, numerical simulations using an interface tracking method based on the Arbitrary Eulerian Lagrangian (ALE) framework, and numerical simulations using the VoS-ψ. All numerical methods are implemented in GeoChemFoam, our reactive transport toolbox and three benchmark test cases in both synthetic and real pore geometries are considered: 1) dissolution of a calcite post by acid injection in a microchannel and experimental comparison, 2) dissolution in a 2D polydisperse disc micromodel at different dissolution regimes and 3) dissolution in a Ketton carbonate rock sample and comparison to in-situ micro-CT experiments. We find that the iVoS results match accurately experimental results and simulation results obtained with the ALE method, while the VoS-ψ method leads to inaccuracies that are mostly corrected by the VoS-ψ’ formulation. In addition, the VoS methods are significantly faster than the ALE method, with a speed-up factor of between 2 and 12. |
| first_indexed | 2024-12-11T17:08:07Z |
| format | Article |
| id | doaj.art-5f865bfc3c004400a4d4e41f57f4dd06 |
| institution | Directory Open Access Journal |
| issn | 2296-6463 |
| language | English |
| last_indexed | 2024-12-11T17:08:07Z |
| publishDate | 2022-07-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Earth Science |
| spelling | doaj.art-5f865bfc3c004400a4d4e41f57f4dd062022-12-22T00:57:37ZengFrontiers Media S.A.Frontiers in Earth Science2296-64632022-07-011010.3389/feart.2022.917931917931Improved Volume-Of-Solid Formulations for Micro-Continuum Simulation of Mineral Dissolution at the Pore-ScaleJulien Maes0Cyprien Soulaine1Hannah P. Menke2Institute of GeoEnergy Engineering, Heriot-Watt University, Edinburgh, United KingdomInstitut des Sciences de la Terre d'Orléans, CNRS, University of Orléans, BRGM, Orléans, FranceInstitute of GeoEnergy Engineering, Heriot-Watt University, Edinburgh, United KingdomWe present two novel Volume-of-Solid (VoS) formulations for micro-continuum simulation of mineral dissolution at the pore-scale. The traditional VoS formulation (VoS-ψ) uses a diffuse interface localization function ψ to ensure stability and limit diffusion of the reactive surface. The main limitation of this formulation is that accuracy is strongly dependent on the choice of the localization function. Our first novel improved formulation (iVoS) uses the divergence of a reactive flux to localize the reaction at the fluid-solid interface, so no localization function is required. Our second novel formulation (VoS-ψ′) uses a localization function with a parameter that is fitted to ensure that the reactive surface area is conserved globally. Both novel methods are validated by comparison with experiments, numerical simulations using an interface tracking method based on the Arbitrary Eulerian Lagrangian (ALE) framework, and numerical simulations using the VoS-ψ. All numerical methods are implemented in GeoChemFoam, our reactive transport toolbox and three benchmark test cases in both synthetic and real pore geometries are considered: 1) dissolution of a calcite post by acid injection in a microchannel and experimental comparison, 2) dissolution in a 2D polydisperse disc micromodel at different dissolution regimes and 3) dissolution in a Ketton carbonate rock sample and comparison to in-situ micro-CT experiments. We find that the iVoS results match accurately experimental results and simulation results obtained with the ALE method, while the VoS-ψ method leads to inaccuracies that are mostly corrected by the VoS-ψ’ formulation. In addition, the VoS methods are significantly faster than the ALE method, with a speed-up factor of between 2 and 12.https://www.frontiersin.org/articles/10.3389/feart.2022.917931/fullpore-scalereactive transportmicro-continuumOpenFOAMdissolution |
| spellingShingle | Julien Maes Cyprien Soulaine Hannah P. Menke Improved Volume-Of-Solid Formulations for Micro-Continuum Simulation of Mineral Dissolution at the Pore-Scale Frontiers in Earth Science pore-scale reactive transport micro-continuum OpenFOAM dissolution |
| title | Improved Volume-Of-Solid Formulations for Micro-Continuum Simulation of Mineral Dissolution at the Pore-Scale |
| title_full | Improved Volume-Of-Solid Formulations for Micro-Continuum Simulation of Mineral Dissolution at the Pore-Scale |
| title_fullStr | Improved Volume-Of-Solid Formulations for Micro-Continuum Simulation of Mineral Dissolution at the Pore-Scale |
| title_full_unstemmed | Improved Volume-Of-Solid Formulations for Micro-Continuum Simulation of Mineral Dissolution at the Pore-Scale |
| title_short | Improved Volume-Of-Solid Formulations for Micro-Continuum Simulation of Mineral Dissolution at the Pore-Scale |
| title_sort | improved volume of solid formulations for micro continuum simulation of mineral dissolution at the pore scale |
| topic | pore-scale reactive transport micro-continuum OpenFOAM dissolution |
| url | https://www.frontiersin.org/articles/10.3389/feart.2022.917931/full |
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