| 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.
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| Source Publication | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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| 2015 | |
| Volume | 17Issue:47Pages:31887-31893 |
| ISSN | 1463-9076 |
| Abstract | For 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. |
| DOI | 10.1039/c5cp06649b |
| URL | 查看原文 |
| Indexed By | SCI |
| Language | 英语 |
| WOS ID | WOS:000365410100054 |
| WOS Keyword | SHALE-GAS ; STORAGE CAPACITY ; ADSORPTION ; CO2 ; NANOPORES ; COAL ; PERMEABILITY ; DISPLACEMENT ; DESORPTION ; INJECTION |
| WOS Research Area | Chemistry ; Physics |
| WOS Subject | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| Funding Organization | This 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). |
| Department | LNM纳/微系统力学与物理力学 |
| Classification | 二类/Q1 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/58376 |
| Collection | 非线性力学国家重点实验室 |
| Corresponding Author | Zhao, 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. |
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| 20151125-PCCP.pdf（2975KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Download | |
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