分子动力学在聚合物驱油中的应用研究进展

doi:10.13809/j.cnki.cn32-1825/te.2021.03.017

Abstract

Abstract:

Traditionally, laboratory testing and measurement are considered to be the most reliable characterization methods. However, in many cases, due to the unclear understanding of the sensitivity to the range of reservoir properties and local changes of heterogeneous reservoir properties, and based on the oversimplified assumptions, the feature prediction obtained by this deterministic strategy is highly uncertain. In recent years, molecular dynamics （MD） simulation has received extensive attention in the study of reservoir rock, fluid properties and their interactions, as well as at the atomic level. In MD simulation, interesting properties are extracted from the time evolution analysis of atomic position and velocity through the numerical solution of Newton's equations for all atomic motions in the system. This technology can help to carry out the computer experiments which can be used to do the experiments that may not be able to complete, with high cost or very dangerous. In this paper, we review the MD simulation technology and its application in the study of oil displacement mechanism and properties of oil displacement agent, and expounds the theoretical concept and program of MD, especially in the analysis of polymer flooding. It will provide useful guidelines to characterize reservoir rocks and fluids and their behaviors in various reservoirs, help to better optimize the operation of design and production plan, and provide a theoretical basis for the development of polymer flooding technology in oilfields.

Key words: polymer flooding, oil displacement mechanism, properties of oil displacement agent, Enhanced oil recovery, molecular dynamics

CLC Number:

TE319

XU Jianping,YUAN Yuanda,XIE Qing,WEI Xuegang,FENG Zhen. Advance in application of molecular dynamics simulation in polymer flooding[J].Reservoir Evaluation and Development, 2021, 11(3): 414-421.

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统计系统	系统状态	在MD模拟中的作用
微正则系统（NVE）	孤立	研究输运特性
正则系统（NVT）	能量不确定	评估相性质
巨正则系统（μVT）	热力学平衡	研究汽液平衡、吸附等温线和选择性
等温等压系统（NPT）	温压系统守恒	确定相性质
吉布斯系统（Gibbs ensemble）	液相平衡	研究近临界行为、吸附等温线和选择性

Advance in application of molecular dynamics simulation in polymer flooding

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