Petroleum Science >2015, Issue 2: 282-292 DOI: https://doi.org/10.1007/s12182-015-0018-9
From molecular dynamics to lattice Boltzmann: a new approachfor pore-scale modeling of multi-phase flow Open Access
文章信息
作者：Xuan Liu,Yong-Feng Zhu,Bin Gong,Jia-Peng Yu and Shi-Ti Cui
作者单位：
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;College of Engineering, Peking University, Beijing 100871, China;Petrochina Tarim Oilfield Exploration and Production Research Institute, Korla 841000, Xinjiang, China
投稿时间：2014-09-19
引用方式：Liu, X., Zhu, YF., Gong, B. et al. Pet. Sci. (2015) 12: 282. https://doi.org/10.1007/s12182-015-0018-9
文章摘要
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 H2O relative permeability, and capillary
pressure curves.
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 H2O relative permeability, and capillary
pressure curves.
关键词
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Molecular dynamics Lattice Boltzmann Multi-phase flow Core simulation