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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Bibliographic Details
Published inPetroleum science Vol. 12; no. 2; pp. 282 - 292
Main Authors Liu, Xuan, Zhu, Yong-Feng, Gong, Bin, Yu, Jia-Peng, Cui, Shi-Ti
Format Journal Article
LanguageEnglish
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
Subjects
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
Molecular dynamics
Lattice Boltzmann
Core simulation
Multi-phase flow
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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.
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
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content type line 23
ISSN:1672-5107
1995-8226
DOI:10.1007/s12182-015-0018-9