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

IMECH-IR > 流固耦合系统力学重点实验室

	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
发表期刊	JOURNAL OF MOLECULAR LIQUIDS
	2023-07-15
卷号	382 页码:121943
ISSN	0167-7322
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.
关键词	CO2-light oil system Diffusion coefficient Swelling factor Molecular dynamics simulation
DOI	10.1016/j.molliq.2023.121943
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:001010886100001
WOS研究方向	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
项目资助者	CNPC basic advanced reserve technology [2021DJ2201]
论文分区	一类
力学所作者排名	1
RpAuthor	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.
引用统计	被引频次：2[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/92398
专题	流固耦合系统力学重点实验室
作者单位	1.{Luo Yongcheng, Xiao Hanmin, Liu Xiangui, Wu Zhenkai} Univ Chinese Acad Sci Coll Engn Sci Beijing 100049 Peoples R China 2.{Luo Yongcheng, Xiao Hanmin, Liu Xiangui, Wu Zhenkai} Univ Chinese Acad Sci Inst Porous Flow & Fluid Mech Langfang 065007 Peoples R China 3.{Zheng Taiyi} Res Inst Petr Explorat & Dev Beijing 100083 Peoples R China 4.{Zheng Taiyi} 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. 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.

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