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Molecular dynamics simulation of methane hydrate dissociation by depressurisation
Yan, KeFeng1,2,3; Li, XiaoSen1,2; Chen, ZhaoYang1,2; Li, Bo1,2,3; Xu, ChunGang1,2,3
2013-04-01
发表期刊MOLECULAR SIMULATION
卷号39期号:4页码:251-260
摘要Methane (CH4) hydrate dissociation and the mechanism by depressurisation are investigated by molecular dynamics (MD) simulation. The hydrate decomposition processes are studied by the vacuum removal method' and the normal method. It is found that the hydrate decomposition is promoted by depressurisation. The quasi-liquid layer is formed in the hydrate surface layer. The driving force of dissociation is found to be controlled by the concentration gradient between the H2O molecules of the hydrate surface layer and the H2O molecules of the hydrate inner layer. The clathrates collapse gradually, and the hydrate decomposes layer by layer. Relative to our previous MD simulation results, this study shows that the rate of the hydrate dissociation by depressurisation is slower than that by the thermal stimulation and the inhibitor injection. This study illustrated that MD simulation can play a significant role in investigating the hydrate decomposition mechanisms.
文章类型Article
关键词Methane Hydrate Depressurisation Molecular Dynamics Simulation Hydrate Production
WOS标题词Science & Technology ; Physical Sciences
DOI10.1080/08927022.2012.718437
研究领域[WOS]Chemistry ; Physics
关键词[WOS]GAS HYDRATE ; ENERGY RESOURCE ; THERMAL-STIMULATION ; KINETIC INHIBITOR ; POROUS-MEDIA ; DECOMPOSITION ; INTERFACE ; MECHANISM ; HYDROGEN ; GROWTH
收录类别SCI
语种英语
WOS类目Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS记录号WOS:000315942900001
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被引频次:26[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.giec.ac.cn/handle/344007/9160
专题中国科学院广州能源研究所
作者单位1.Chinese Acad Sci, Key Lab Renewable Energy & Gas Hydrate, Guangzhou Inst Energy Convers, Guangzhou 510640, Guangdong, Peoples R China
2.Chinese Acad Sci, Guangzhou Ctr Gas Hydrate Res, Guangzhou 510640, Guangdong, Peoples R China
3.Chinese Acad Sci, Grad Univ, Beijing 100083, Peoples R China
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Yan, KeFeng,Li, XiaoSen,Chen, ZhaoYang,et al. Molecular dynamics simulation of methane hydrate dissociation by depressurisation[J]. MOLECULAR SIMULATION,2013,39(4):251-260.
APA Yan, KeFeng,Li, XiaoSen,Chen, ZhaoYang,Li, Bo,&Xu, ChunGang.(2013).Molecular dynamics simulation of methane hydrate dissociation by depressurisation.MOLECULAR SIMULATION,39(4),251-260.
MLA Yan, KeFeng,et al."Molecular dynamics simulation of methane hydrate dissociation by depressurisation".MOLECULAR SIMULATION 39.4(2013):251-260.
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