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 |
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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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Abstract | 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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AbstractList | 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 approach 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 H
2
O relative permeability, and capillary pressure curves. 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 approach 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 H sub(2)O relative permeability, and capillary pressure curves. 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. |
Author | Xuan Liu Yong-Feng Zhu Bin Gong Jia-Peng Yu Shi-Ti Cui |
AuthorAffiliation | College of Engineering, Peking University, Beijing 100871,China Sinopec Petroleum Exploration and Production ResearchInstitute, Beijing 100083, China Petrochina Tarim Oilfield Exploration and ProductionResearch Institute, Korla 841000, Xinjiang, China |
AuthorAffiliation_xml | – name: 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 |
Author_xml | – sequence: 1 givenname: Xuan surname: Liu fullname: Liu, Xuan organization: College of Engineering, Peking University, Sinopec Petroleum Exploration and Production Research Institute – sequence: 2 givenname: Yong-Feng surname: Zhu fullname: Zhu, Yong-Feng organization: Petrochina Tarim Oilfield Exploration and Production Research Institute – sequence: 3 givenname: Bin surname: Gong fullname: Gong, Bin email: gongbin@pku.edu.cn organization: College of Engineering, Peking University – sequence: 4 givenname: Jia-Peng surname: Yu fullname: Yu, Jia-Peng organization: College of Engineering, Peking University – sequence: 5 givenname: Shi-Ti surname: Cui fullname: Cui, Shi-Ti organization: Petrochina Tarim Oilfield Exploration and Production Research Institute |
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Cites_doi | 10.1016/j.camwa.2009.08.058 10.1103/PhysRevE.53.743 10.1016/S0378-3812(01)00444-7 10.1103/PhysRevE.67.066711 10.1002/fld.1972 10.1063/1.1655297 10.1142/S0129183198001291 10.1016/j.camwa.2009.02.024 10.1063/1.3225144 10.1016/S0301-9322(02)00108-8 10.1063/1.445869 10.1103/PhysRevLett.96.224503 10.1103/PhysRevE.47.1815 10.1103/PhysRevLett.97.204503 10.1137/060660576 10.1007/s11434-009-0734-x 10.1103/PhysRevLett.67.3776 10.1103/PhysRevE.54.5041 10.1103/PhysRevLett.75.830 10.1103/PhysRevE.76.066309 10.1016/j.camwa.2010.06.034 10.1007/BF02179985 10.1063/1.477658 10.1063/1.2187070 10.1103/PhysRevE.49.2941 10.1088/1742-5468/2009/06/P06008 10.1103/PhysRevE.73.066703 10.1016/j.elstat.2005.10.012 10.2136/vzj2008.0003 10.1103/PhysRevE.77.066311 10.1209/0295-5075/17/6/001 10.1209/0295-5075/84/44003 10.1063/1.480156 |
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Notes | 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 |
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SubjectTerms | Computer simulation Contact angle Density Earth and Environmental Science Earth Sciences Economics and Management Energy Policy Fittings Industrial and Production Engineering Industrial Chemistry/Chemical Engineering Lattices Mathematical models Mineral Resources Molecular dynamics Original Paper Permeability 分子动力学 多相流 孔隙 建模 格子Boltzmann方法 模拟计算 毛细管压力曲线 相互作用力 |
Title | From molecular dynamics to lattice Boltzmann: a new approach for pore-scale modeling of multi-phase flow |
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