From molecular dynamics to lattice Boltzmann: a new approach for pore-scale modeling of multi-phase flow
Most current lattice Boltzmann (LBM) models suffer from the deficiency that their parameters have to be obtained by fitting experimental results. In this paper, we propose a new method that integrates the molecular dynamics (MD) simulation and LBM to avoid such defect. The basic idea is to first con...
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Published in | Petroleum science Vol. 12; no. 2; pp. 282 - 292 |
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Main Authors | , , , , |
Format | Journal Article |
Language | English |
Published |
Beijing
China University of Petroleum (Beijing)
01.06.2015
College of Engineering, Peking University, Beijing 100871, China Sinopec Petroleum Exploration and Production Research Institute, Beijing 100083, China%Petrochina Tarim Oilfield Exploration and Production Research Institute, Korla 841000, Xinjiang, China%College of Engineering, Peking University, Beijing 100871, China |
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Online Access | Get full text |
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Summary: | Most current lattice Boltzmann (LBM) models suffer from the deficiency that their parameters have to be obtained by fitting experimental results. In this paper, we propose a new method that integrates the molecular dynamics (MD) simulation and LBM to avoid such defect. The basic idea is to first construct a molecular model based on the actual components of the rock-fluid system, then to compute the interaction force between the rock and the fluid of different densities through the MD simulation. This calculated rock-fluid interaction force, combined with the fluid-fluid force determined from the equation of state, is then used in LBM modeling. Without parameter fitting, this study presents a new systematic approach for pore-scale modeling of multi-phase flow. We have validated this ap- proach by simulating a two-phase separation process and gas-liquid-solid three-phase contact angle. Based on an actual X-ray CT image of a reservoir core, we applied our workflow to calculate the absolute permeability of the core, vapor-liquid H20 relative permeability, and capillary pressure curves. |
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Bibliography: | Molecular dynamics - Lattice BoltzmannMulti-phase flow ; Core simulation Most current lattice Boltzmann (LBM) models suffer from the deficiency that their parameters have to be obtained by fitting experimental results. In this paper, we propose a new method that integrates the molecular dynamics (MD) simulation and LBM to avoid such defect. The basic idea is to first construct a molecular model based on the actual components of the rock-fluid system, then to compute the interaction force between the rock and the fluid of different densities through the MD simulation. This calculated rock-fluid interaction force, combined with the fluid-fluid force determined from the equation of state, is then used in LBM modeling. Without parameter fitting, this study presents a new systematic approach for pore-scale modeling of multi-phase flow. We have validated this ap- proach by simulating a two-phase separation process and gas-liquid-solid three-phase contact angle. Based on an actual X-ray CT image of a reservoir core, we applied our workflow to calculate the absolute permeability of the core, vapor-liquid H20 relative permeability, and capillary pressure curves. 11-4995/TE ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
ISSN: | 1672-5107 1995-8226 |
DOI: | 10.1007/s12182-015-0018-9 |