Molecular dynamics simulation of methane hydrate dissociation by depressurisation

被引：34

作者：

Yan, KeFeng ^{[1
,2
,3
]}

Li, XiaoSen ^{[1
,2
]}

Chen, ZhaoYang ^{[1
,2
]}

Li, Bo ^{[1
,2
,3
]}

Xu, ChunGang ^{[1
,2
,3
]}

机构：

[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

来源：

MOLECULAR SIMULATION | 2013年 / 39卷 / 04期

基金：

中国国家自然科学基金;

关键词：

methane hydrate; depressurisation; molecular dynamics simulation; hydrate production; GAS HYDRATE; KINETIC INHIBITOR; DECOMPOSITION; ENERGY; HYDROGEN; GROWTH;

D O I：

10.1080/08927022.2012.718437

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

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.

引用

页码：251 / 260

页数：10

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