Review on Molecular Dynamics Simulations for Understanding Mechanisms of Enhanced Heavy Oil Recovery: Recent Progress, Challenges, and Prospects

IF 5.3 3区 工程技术 Q2 ENERGY & FUELS
Xiaofeng Li, Wei Zhou*, Yongjian Zhou*, Cuiping Xin, Yongfeng Li, Duo Zhang, Jingwen Zhou, Kaipeng Yuan and Chenxi Lin, 
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Abstract

Heavy oil accounts for more than 70% of the remaining oil reserves and is regarded as a highly promising and accessible resource to meet the energy needs of humanity. However, for conventional heavy oil, enhanced oil recovery (EOR) technologies face significant challenges, such as polymer degradation, surfactant adsorption, high costs and mobility of injected fluids, considerable energy and water consumption, huge solid waste production, significant emissions of CO2, SOx, and NOx, and the need for robust equipment. Recently, molecular dynamics (MD) simulations have offered unprecedented opportunities due to their advantages of investigation of molecular-level EOR mechanisms, multiscale simulation, dynamics simulation, low costs, and environmental friendliness. This paper provides a comprehensive overview of recent advancements in the application of MD simulations for heavy oil recovery and helps researchers obtain valuable insights into molecular-level EOR mechanisms underlying various EOR applications. First, recent research progress on MD simulations for chemical EOR methods including surfactant flooding, polymer flooding, their compound systems, and nanoparticle-enhanced chemical techniques is summarized. Second, applications of MD simulations for gas EOR techniques are highlighted in terms of force field, oil components, and molecular-level EOR mechanisms. Third, recent research advances in MD simulations for thermal EOR methods are comprehensively discussed from various molecular-level mechanisms and the molecular-level interfacial interactions between heavy oil and injected fluids. Finally, challenges and future perspectives are identified for the applications of MD simulations for improving heavy oil recovery.

Abstract Image

分子动力学模拟在稠油采收率机理研究中的进展、挑战与展望
重油占剩余油储量的70%以上,被认为是满足人类能源需求的极具潜力和可开采的资源。然而,对于常规稠油,提高采收率(EOR)技术面临着重大挑战,例如聚合物降解、表面活性剂吸附、注入流体的高成本和流动性、大量的能源和水消耗、大量的固体废物产生、大量的CO2、SOx和NOx排放,以及对坚固设备的需求。近年来,分子动力学(MD)模拟以其在研究分子水平的提高采收率机理、多尺度模拟、动力学模拟、低成本和环境友好等方面的优势提供了前所未有的机遇。本文全面概述了MD模拟在稠油开采中的最新应用进展,并帮助研究人员对各种EOR应用背后的分子水平EOR机制获得有价值的见解。首先,综述了表面活性剂驱、聚合物驱及其复合体系、纳米颗粒增强化学驱等化学提高采收率方法的MD模拟研究进展。其次,在力场、油组分和分子水平的EOR机制方面,强调了MD模拟在天然气EOR技术中的应用。第三,从各种分子水平机理以及稠油与注入流体的分子水平界面相互作用等方面,全面论述了热采方法MD模拟的最新研究进展。最后,指出了MD模拟在提高稠油采收率方面的应用所面临的挑战和未来前景。
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来源期刊
Energy & Fuels
Energy & Fuels 工程技术-工程:化工
CiteScore
9.20
自引率
13.20%
发文量
1101
审稿时长
2.1 months
期刊介绍: Energy & Fuels publishes reports of research in the technical area defined by the intersection of the disciplines of chemistry and chemical engineering and the application domain of non-nuclear energy and fuels. This includes research directed at the formation of, exploration for, and production of fossil fuels and biomass; the properties and structure or molecular composition of both raw fuels and refined products; the chemistry involved in the processing and utilization of fuels; fuel cells and their applications; and the analytical and instrumental techniques used in investigations of the foregoing areas.
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