Effects of gas reservoir configuration and pore radius on shale gas nanoflow: A molecular dynamics study

doi:10.1063/1.5021139

CORC > 地质与地球物理研究所 > 中国科学院地质与地球物理研究所 > 中国科学院地球与行星物理重点实验室

	Effects of gas reservoir configuration and pore radius on shale gas nanoflow: A molecular dynamics study
	Tian, Huiquan 1,2,3; Guo, Guang-Jun 1,2,3; Geng, Ming 1,2; Zhang, Zhengcai 1,2; Zhang, Mingmin 1,2,3; Gao, Kai 1,2,3
刊名	JOURNAL OF CHEMICAL PHYSICS
	2018-05-28
卷号	148 期号:20
ISSN号	0021-9606
DOI	10.1063/1.5021139
文献子类	Article
英文摘要	We calculated methane transport through cylindrical graphite nanopores in cyclical steady-state flows using non-equilibrium molecular dynamics simulations. First, two typical gas reservoir configurations were evaluated: open (OS) and closed (CS) systems in which pores connect to the gas reservoir without/ with a graphite wall parallel to the gas flow. We found that the OS configuration, which is commonly used to study nanoflows, exhibited obvious size effects. Smaller gas reservoir cross-sectional areas were associated with faster gas flows. Because Knudsen diffusion and slip flow in pores are interrupted in a gas reservoir that does not have walls as constraints, OSs cannot be relied upon in cyclical nanoflow simulations. Although CSs eliminated size effects, they introduced surface roughness effects that stem from the junction surface between the gas reservoir and the pore. To obtain a convergent nanoflow, the length of a side of the gas reservoir cross-section should be at least 2 nm larger than the pore diameter. Second, we obtained methane flux data for various pore radii (0.5-2.5 nm) in CSs and found that they could be described accurately using the Javadpour formula. This is the first direct molecular simulation evidence to validate this formula. Finally, the radial density and flow-velocity distributions of methane in CS pores were analyzed in detail. We tested pores with a radius between 0.5 nm and 2.5 nm and determined that the maximum ratio (similar to 34%) of slip flow to overall flow occurred in the pore with a radius of 1.25 nm. This study will aid in the design of gas reservoir configurations for nanoflow simulations and is helpful in understanding shale gas nanoflows. Published by AIP Publishing.
WOS关键词	FAST MASS-TRANSPORT ; CARBON NANOTUBES ; POISEUILLE FLOW ; SIMULATION ; NANOPORES ; GEOMETRY ; MEDIA
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000433950200042
资助机构	Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301) ; Strategic Priority Research Program of the Chinese Academy of Sciences(XDB10020301)
内容类型	期刊论文
源URL	[http://ir.iggcas.ac.cn/handle/132A11/88193]
专题	地质与地球物理研究所_中国科学院地球与行星物理重点实验室
通讯作者	Guo, Guang-Jun
作者单位	1.Chinese Acad Sci, Inst Geol & Geophys, Key Lab Earth & Planetary Phys, Beijing 100029, Peoples R China 2.Chinese Acad Sci, Inst Earth Sci, Beijing 100029, Peoples R China 3.Univ Chinese Acad Sci, Coll Earth & Planetary Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Tian, Huiquan,Guo, Guang-Jun,Geng, Ming,et al. Effects of gas reservoir configuration and pore radius on shale gas nanoflow: A molecular dynamics study[J]. JOURNAL OF CHEMICAL PHYSICS,2018,148(20).
APA	Tian, Huiquan,Guo, Guang-Jun,Geng, Ming,Zhang, Zhengcai,Zhang, Mingmin,&Gao, Kai.(2018).Effects of gas reservoir configuration and pore radius on shale gas nanoflow: A molecular dynamics study.JOURNAL OF CHEMICAL PHYSICS,148(20).
MLA	Tian, Huiquan,et al."Effects of gas reservoir configuration and pore radius on shale gas nanoflow: A molecular dynamics study".JOURNAL OF CHEMICAL PHYSICS 148.20(2018).