Diffusion coefficient and the volume swelling of CO2/light oil systems: Insights from dynamic volume analysis and molecular dynamics simulation

doi:10.1016/j.molliq.2023.121943

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-)

	Diffusion coefficient and the volume swelling of CO2/light oil systems: Insights from dynamic volume analysis and molecular dynamics simulation
	Luo, Yongcheng ; Xiao, Hanmin ; Liu, Xiangui ; Zheng TY(郑太毅); Wu, Zhenkai
刊名	JOURNAL OF MOLECULAR LIQUIDS
	2023-07-15
卷号	382 页码:121943
关键词	CO2-light oil system Diffusion coefficient Swelling factor Molecular dynamics simulation
ISSN号	0167-7322
DOI	10.1016/j.molliq.2023.121943
英文摘要	The oil volume expansion and CO2 diffusion are one of the main mechanism of CO2-enhanced oil recovery (CO2- EOR). This paper established a series of experiments, numerical simulations, and molecular dynamics (MD) simulations to describe mass transfer behaviors between oil-gas phases. Expressly, the CO2 diffusion coefficient and light oil swelling factor are signification parameters to quantify and analyze these behaviors. In detail, the CO2 diffusion coefficient and the oil swelling factor were obtained from the traditional pressure decay method and the advanced MD simulation. Synthetically, the pressure decay method and MD simulation results were mutually verified. The results showed that the equilibrium pressure was proportional to the mole fraction of CO2 and inversely proportional to the mole fraction of light oil. The equilibrium time was proportional to the mole fraction of CO2 and light oil. At the temperature of 333.15 K and the initial pressure of 7.5 MPa, the CO2 diffusion coefficient in light oil was positively correlated with the relative molar proportion of CO2, while the light oil swelling factor was vice versa. In addition, the closer to the CO2-light oil interface, the greater the light oil's potential energy and self-diffusion coefficient, and the stronger the transport ability.
分类号	一类
WOS研究方向	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
语种	英语
WOS记录号	WOS:001010886100001
资助机构	CNPC basic advanced reserve technology [2021DJ2201]
其他责任者	Xiao, HM (corresponding author), Univ Chinese Acad Sci, Inst Porous Flow & Fluid Mech, Langfang 065007, Peoples R China. ; Zheng, TY (corresponding author), Chinese Acad Sci, Inst Mech, Beijing 100190, Peoples R China.
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/92398]
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.{Zheng Taiyi} Chinese Acad Sci Inst Mech Beijing 100190 Peoples R China 2.{Zheng Taiyi} Res Inst Petr Explorat & Dev Beijing 100083 Peoples R China 3.{Luo Yongcheng, Xiao Hanmin, Liu Xiangui, Wu Zhenkai} Univ Chinese Acad Sci Inst Porous Flow & Fluid Mech Langfang 065007 Peoples R China 4.{Luo Yongcheng, Xiao Hanmin, Liu Xiangui, Wu Zhenkai} Univ Chinese Acad Sci Coll Engn Sci Beijing 100049 Peoples R China
推荐引用方式 GB/T 7714	Luo, Yongcheng,Xiao, Hanmin,Liu, Xiangui,et al. Diffusion coefficient and the volume swelling of CO2/light oil systems: Insights from dynamic volume analysis and molecular dynamics simulation[J]. JOURNAL OF MOLECULAR LIQUIDS,2023,382:121943.
APA	Luo, Yongcheng,Xiao, Hanmin,Liu, Xiangui,郑太毅,&Wu, Zhenkai.(2023).Diffusion coefficient and the volume swelling of CO2/light oil systems: Insights from dynamic volume analysis and molecular dynamics simulation.JOURNAL OF MOLECULAR LIQUIDS,382,121943.
MLA	Luo, Yongcheng,et al."Diffusion coefficient and the volume swelling of CO2/light oil systems: Insights from dynamic volume analysis and molecular dynamics simulation".JOURNAL OF MOLECULAR LIQUIDS 382(2023):121943.