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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
Source PublicationMOLECULAR SIMULATION
Volume39Issue:4Pages:251-260
AbstractMethane (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.
SubtypeArticle
KeywordMethane Hydrate Depressurisation Molecular Dynamics Simulation Hydrate Production
WOS HeadingsScience & Technology ; Physical Sciences
DOI10.1080/08927022.2012.718437
WOS Subject ExtendedChemistry ; Physics
WOS KeywordGAS HYDRATE ; ENERGY RESOURCE ; THERMAL-STIMULATION ; KINETIC INHIBITOR ; POROUS-MEDIA ; DECOMPOSITION ; INTERFACE ; MECHANISM ; HYDROGEN ; GROWTH
Indexed BySCI
Language英语
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS IDWOS:000315942900001
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Document Type期刊论文
Identifierhttp://ir.giec.ac.cn/handle/344007/9160
Collection中国科学院广州能源研究所
Affiliation1.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
Recommended Citation
GB/T 7714
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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