IMECH-IR  > 非线性力学国家重点实验室
Molecular dynamics simulations of the enhanced recovery of confined methane with carbon dioxide
Yuan QZ(袁泉子); Zhu XY; Lin K; Zhao YP(赵亚溥); Zhao, YP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
2015
Volume17Issue:47Pages:31887-31893
ISSN1463-9076
AbstractFor the first time, the enhanced recovery of confined methane (CH4) with carbon dioxide (CO2) is investigated through molecular dynamics simulations. The adsorption energy and configuration of CH4 and CO2 on the carbon surface were compared, which shows that CO2 is a good candidate in displacing confined CH4. The energy barrier required for displacing CH4 by CO2 injection was found to depend on the displacement angle. When CO2 approached vertically to the carbon surface, the displacement of CH4 occurred most easily. The curvature and size effects of the carbon nanopores on CH4 recovery were revealed and indicated that there exists an optimum pore size making the displacement occur most efficiently. The underlying mechanisms of these phenomena were uncovered. Our findings and related analyses may help to understand CO2 enhanced gas recovery from the atomic level and assist the future design in engineering.
DOI10.1039/c5cp06649b
URL查看原文
Indexed BySCI
Language英语
WOS IDWOS:000365410100054
WOS KeywordSHALE-GAS ; STORAGE CAPACITY ; ADSORPTION ; CO2 ; NANOPORES ; COAL ; PERMEABILITY ; DISPLACEMENT ; DESORPTION ; INJECTION
WOS Research AreaChemistry ; Physics
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
Funding OrganizationThis work was jointly supported by the National Natural Science Foundation of China (NSFC, Grant U1562105, 11202213 and 11372313) and the Key Research Program of the Chinese Academy of Sciences (Grant KJZD-EW-M01).
DepartmentLNM纳/微系统力学与物理力学
Classification二类/Q1
Citation statistics
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/58376
Collection非线性力学国家重点实验室
Corresponding AuthorZhao, YP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
Recommended Citation
GB/T 7714
Yuan QZ,Zhu XY,Lin K,et al. Molecular dynamics simulations of the enhanced recovery of confined methane with carbon dioxide[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2015,17(47):31887-31893.
APA 袁泉子,Zhu XY,Lin K,赵亚溥,&Zhao, YP .(2015).Molecular dynamics simulations of the enhanced recovery of confined methane with carbon dioxide.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,17(47),31887-31893.
MLA 袁泉子,et al."Molecular dynamics simulations of the enhanced recovery of confined methane with carbon dioxide".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.47(2015):31887-31893.
Files in This Item: Download All
File Name/Size DocType Version Access License
20151125-PCCP.pdf(2975KB)期刊论文作者接受稿开放获取CC BY-NC-SAView Download
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[袁泉子]'s Articles
[Zhu XY]'s Articles
[Lin K]'s Articles
Baidu academic
Similar articles in Baidu academic
[袁泉子]'s Articles
[Zhu XY]'s Articles
[Lin K]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[袁泉子]'s Articles
[Zhu XY]'s Articles
[Lin K]'s Articles
Terms of Use
No data!
Social Bookmark/Share
File name: 20151125-PCCP.pdf
Format: Adobe PDF
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.