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

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

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References 40

[1]	董杰, 岳湘安, 孔彬, 等. 表面活性剂乳化能力差异对低渗油藏提高采收率的影响[J]. 石油与天然气化工, 2018, 47(2):80-84.
	DONG Jie, YUE Xiang'an, KONG Bin, et al. Effect of surfactant emulsifying ability difference on EOR of low permeability reservoir[J]. Petroleum and natural gas chemical industry, 2018, 47(2):80-84.
[2]	徐辉, 曹绪龙, 石静, 等. 新型物理交联凝胶体系性能特点及调驱能力研究[J]. 石油与天然气化工, 2018, 47(1):69-73.
	XU Hui, CAO Xulong, SHI Jing, et al. Performance characteristics and profile control and driving ability of a new physical crosslinked gel system[J]. petroleum and natural gas chemical industry, 2018, 47(1):69-73.
[3]	张大伟, 陈忠喜, 任璐, 等. 三元复合驱采出水性质及稳定性机理研究[J]. 石油与天然气化工, 2020, 49(1):104-111.
	ZHANG Dawei, CHEN Zhongxi, REN Lu, et al. Study on properties and stability mechanism of ASP flooding produced water[J]. Petroleum and natural gas chemical industry, 2020, 49(1):104-111.
[4]	赵慧霞. 超临界状态的分子动力学模拟研究[D]. 太原: 中北大学, 2013.
	ZHAO Huixia. Molecular dynamics simulation of supercritical state[D]. Taiyuan: North University of China, 2013.
[5]	ALDER B J, WAINWRIGHT T E. Studies in molecular dynamics. I. General method[J]. The Journal of Chemical Physics, 1959, 31(2):459-466. doi: 10.1063/1.1730376
[6]	SHEN Qiuyang, LU Han, WU Xuqing, et al. Statistical geosteering inversion by Hamiltonian dynamics Monte Carlo method[C]// paper presented at the SEG Technical Program Expanded Abstracts, 2017.
[7]	ZAPATA Y, PHAN T N, REZA Z A. Multi-physics pore-scale modeling of particle plugging due to fluid invasion during hydraulic fracturing[C]// Unconventional Resources Technology Conference paper presented at the SPE/AAPG/SEG Unconventional Resources Technology Conference, 2018.
[8]	ALLEN M R, TILDESLEY D J. Computer simulation of liquids[M]. Oxford: Clarendon Press,1987.
[9]	薛定谔. 多孔介质中的渗流物理[M].王鸿勋,张朝琛,孙书琛译. 北京: 石油工业出版社, 1982.
	SCHRÖDINGER A E. The physics of flow through porous media[M].translated by WANG H X, ZHANG C C, SUN S C. Beijing: Petroleum industry press,1982.
[10]	葛春醒. 纳米孔隙气相导热系数的分子动力学模拟[D]. 哈尔滨: 哈尔滨工业大学, 2010.
	GE Chunxing. Investigation of gas thermal condutivity in nanopore by molecular dynamics[D]. Harbin: Harbin Institute of Technology, 2010.
[11]	SINGH A, JINDAL R, SAXENA A. Simulation and determination of optimal variables for increased oil recovery potential of surfactant polymer flooding[J]. Offshore Technology Conference, 2020.
[12]	于帅, 孙芸芸. 基于分子模拟的降凝剂分子设计与性能研究[J]. 石油与天然气化工, 2018, 47(3):54-58.
	YU Shuai, SUN Yunyun. Study on molecular design and performance of pour depressant based on molecular simulation[J]. Chemical Engineering of Oil & Gas, 2018, 47(3):54-58.
[13]	UNGERER P, LACHET V, TAVITIAN B. Applications of molecular simulation in oil and gas production and processing[J]. Oil & Gas Science and Technology, 2006, 61(3)
[14]	EBRO H, KIM Y M, KIM J H. Molecular dynamics simulations in membrane-based water treatment processes: A systematic overview[J]. Journal of Membrane Science, 2013,438.
[15]	ALLEN M P. Introduction to Molecular dynamics simulation[M]. German: NIC Series, Julich,2004.
[16]	RAPAPORT D C. The art of molecular dynamics simulation[M].Cambridge, UK: Cambridge University Press,1995.
[17]	HAILE J M. Molecular dynamics simulation: elementary methods[M]. New York: John Wiley and Sons,1992.
[18]	SEYYEDATTAR M, ZENDEHBOUDI S, BUTT S. Molecular dynamics simulations in reservoir analysis of offshore petroleum reserves: A systematic review of theory and applications[J]. Earth-Science Reviews, 2019,192.
[19]	陈正隆, 徐为人, 汤立达. 分子模拟的理论与实践[M]. 北京: 化学工业出版社,2007.
	CHEN Zhenglong, XU Weiren, TANG Lida. Theory and practice of molecular modeling[M]. Beijing: Chemical Industry Press,2007.
[20]	LE ROUX S, PETKOV V, LE S. Interactive structure analysis of amorphous and crystalline systems[J]. Journal of Applied Crystallography, 2010, 43(43):181-185. doi: 10.1107/S0021889809051929
[21]	VERLET L. Computer “experiments” on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules[J]. Physical Review, 1967, 159(1):98-103. doi: 10.1103/PhysRev.159.98
[22]	陈敏伯. 计算化学-从理论化学到分子模拟[M]. 北京: 科学出版社,2009.
	CHEN Minbo. Computational chemistry: from theoretical chemistry to molecular simulation[M]. Beijing: Science Press,2009.
[23]	GIBBS J W. Elementary principles in statistical mechanics[M]. New York: Charles Scribner's Sons,1902.
[24]	EBRAHIMI D. Multiscale modeling of clay-water systems[M]. Massachusetts: Massachusetts Institute of Technology,2014.
[25]	UNGERER P, NIETO-DRAGHI C, ROUSSEAU B, et al. Molecular simulation of the thermophysical properties of fluids: From understanding toward quantitative predictions[J]. Journal of Molecular Liquids, 2007, 134(1-3):71-89. doi: 10.1016/j.molliq.2006.12.014
[26]	CHEN P K, YAO L, LIU Y Y, et al. Experimental and theoretical study of dilute polyacrylamide solutions: effect of salt concentration[J]. Journal of Molecular Modeling, 2012, 18(7)
[27]	刘艳艳, 陈攀科, 罗健辉. 聚丙烯酰胺稀溶液的分子模拟[J]. 物理化学学报, 2010, 26(11):2907-2914. doi: 10.3866/PKU.WHXB20101110
	LIU Yanyan, CHEN Panke, LUO Jianhui. Molecular Simulation of dilute polyacrylamide solutions[J]. Acta Physico-Chimica Sinica, 2010, 26(11):2907-2914. doi: 10.3866/PKU.WHXB20101110
[28]	YUAN R, LI Y, LI C X, et al. Study about how the metal cationic ions affect the properties of partially hydrolyzed hydrophobically modified polyacrylamide (HMHPAM) in aqueous solution[J]. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2013,434.
[29]	YAO L, CHEN P K, DING B, et al. Molecular design of modified polyacrylamide for the salt tolerance[J]. Journal of Molecular Modeling, 2012, 18(9)
[30]	NI T, HUANG G S, ZHENG J, et al. Research on the crosslinking mechanism of polyacrylamide/resol using molecular simulation and X-ray photoelectron spectroscopy[J]. Polymer Journal, 2010, 42(5)
[31]	胡晓莹. 抗盐表面活性剂和聚合物的分子行为及性能研究[D]. 济南: 山东大学, 2011.
	HU Xiaoying. Molecular behavior and properties study on salt tolerance surfactant and polymer[D]. Jinan: Shandong University, 2011.
[32]	王华. 含表面活性剂复配体系自组装机理的理论研究[D]. 济南: 山东大学, 2014.
	WANG Hua. Theoretical studies on the self-assemble of mixed systemcontaining surfactant[D]. Jinan: Shandong University, 2014.
[33]	黄茜. 表面活性剂及聚合物体系的环境响应行为及机理研究[D]. 济南: 山东大学, 2009.
	HUANG Q.. Environmental-responsive behavior and mechanism of surfactant and polymer systems[D]. Jinan: Shandong University, 2009.
[34]	WANG H, ZHANG H, YUAN S L, et al. Molecular dynamics study of the adsorption of anionic surfactant in a nonionic polymer brush[J]. Journal of Molecular Modeling, 2014, 20(6)
[35]	LI W Z, WANG J H, XU D J. Molecular simulations of the effect of hydrated montmorillonite on the viscosity of polyacrylamide under confined shear[J]. Journal of Wuhan University of Technology(Materials Science Edition), 2015, 30(3):556-561.
[36]	EL-HOSHOUDY A N, ZAKI E G, ELSAEED S M. Experimental and Monte Carlo simulation of palmitate-guar gum derivative as a novel flooding agent in the underground reservoir[J]. Journal of Molecular Liquids, 2020,302.
[37]	EL-HOSHOUDY A N, MANSOUR E M, DESOUKY S M. Experimental, computational and simulation oversight of silica-co-polyacrylates composite prepared by surfactant-stabilized emulsion for polymer flooding in unconsolidated sandstone reservoirs[J]. Journal of Molecular Liquids, 2020,308.
[38]	FAN J C, WANG F C, CHEN J, et al. Molecular mechanism of viscoelastic polymer enhanced oil recovery in nanopores[J]. Royal Society Open Science, 2018, 5(6):180076. doi: 10.1098/rsos.180076
[39]	宋考平, 杨二龙, 王锦梅. 聚合物驱提高驱油效率机理及驱油效果分析[J]. 石油学报, 2004(3):71-74.
	SONG Kaoping, YANG Erlong, WANG Jinmei. Mechanism of enhancing oil displacement efficiency by polymer flooding and driving effectiveness analysis[J]. Acta Petrolei Sinica, 2004(3):71-74.
[40]	王海波. 活性高分子与原油相互作用机理探讨[J]. 油气地质与采收率, 2008(5):66-68.
	WANG Haibo. Discussion on interaction mechanism of activated high molecular polymer and crude oil[J]. Petroleum Geology and Recovery Efficiency, 2008(5):66-68.

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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