Occurrence characteristics and influential factors of movable oil in nano-pores by molecular dynamics simulation

doi:10.1016/j.colsurfa.2022.130320

CORC > 力学研究所 > 中国科学院力学研究所 > 流固耦合系统力学重点实验室(2012-)

	Occurrence characteristics and influential factors of movable oil in nano-pores by molecular dynamics simulation
	Luo,Yongcheng 1,2,3; Xiao,Hanmin 2,3; Liu,Xiangui 2,3; Zheng TY(郑太毅)4
刊名	COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
	2022-12-20
卷号	655 页码:10
关键词	Adsorption Potential energy Self -diffusion coefficient Molecular dynamics
ISSN号	0927-7757
DOI	10.1016/j.colsurfa.2022.130320
通讯作者	Xiao, Hanmin(xiaohm69@petrochina.com.cn) ; Zheng, Taiyi(zhengtaiyi@imech.ac.cn)
英文摘要	CO2-enhanced oil recovery (CO2-EOR) technology has shown great application potential in the development of tight reservoirs. Since the proportion of nano-pores in tight oil reservoirs exceeds 77%, it is necessary to further study the occurrence state of crude oil in nano-pores. In this paper, the molecular dynamics simulation was applied to study the adsorption and diffusion behaviors of multi-component crude oil in quartz (hydrophilic) nano-pores. Besides, the density discretization method was used to investigate the occurrence characteristics of crude oil, the proportion of movable fluid in nano-pores, and the effects of CO2 and polar molecules (C3H6O) on the adsorption characteristics of crude oil. The simulation results showed that the adsorption state of crude oil in the quartz nano-pores was in the form of 4 adsorption layers with a thickness of 0.45 nm each. In nano-pores, the oil molecules with longer molecular chains were more likely to aggregate and adsorb on the quartz surface. Among them, polar oil molecules have the strongest adsorption capacity on the quartz surface. Moreover, the crude oil potential energy and the self-diffusion coefficient gradually increased from the vicinity of the quartz wall and tended to be stable in the free layer. Meanwhile, the content of movable crude oil gradually augmented with the increasement of nanometer pore width and temperature. Furthermore, the pressure had little effect on the density distribution of crude oil in the pores. In contrast, the temperature had a more significant effect on the density distribution of the adsorption layer. At last, due to the more substantial adsorption capacity of CO2 on the rock surface, the crude oil adsorbed initially on the rock surface would be stripped off by CO2, converting from irreducible oil to moveable oil.
分类号	二类
资助项目	China National Petroleum Corpo- ration (CNPC) basic advanced reserve technology ; [2021DJ2201]
WOS关键词	ORDOS BASIN ; TIGHT OIL ; YANCHANG FORMATION ; ADSORPTION ; RESERVOIRS ; EQUILIBRIA ; CURVES ; ALKANE ; FLUIDS ; SAG
WOS研究方向	Chemistry
语种	英语
WOS记录号	WOS:000869977000001
资助机构	China National Petroleum Corpo- ration (CNPC) basic advanced reserve technology
其他责任者	Xiao, Hanmin ; Zheng, Taiyi
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/90486]
专题	力学研究所_流固耦合系统力学重点实验室(2012-)
作者单位	1.Univ Chinese Acad Sci, Coll Engn Sci, Beijing 100049, Peoples R China; 2.Univ Chinese Acad Sci, Inst Porous Flow & Fluid Mech, Langfang 065007, Peoples R China; 3.Res Inst Petr Explorat & Dev, Beijing 100083, Peoples R China; 4.Chinese Acad Sci, Inst Mech, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Luo,Yongcheng,Xiao,Hanmin,Liu,Xiangui,et al. Occurrence characteristics and influential factors of movable oil in nano-pores by molecular dynamics simulation[J]. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,2022,655:10.
APA	Luo,Yongcheng,Xiao,Hanmin,Liu,Xiangui,&郑太毅.(2022).Occurrence characteristics and influential factors of movable oil in nano-pores by molecular dynamics simulation.COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,655,10.
MLA	Luo,Yongcheng,et al."Occurrence characteristics and influential factors of movable oil in nano-pores by molecular dynamics simulation".COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS 655(2022):10.