Molecular dynamics simulation of methane hydrate dissociation by depressurisation
文献类型：期刊论文
| 作者 | Yan, KeFeng1,2,3 ; Li, XiaoSen1,2; Chen, ZhaoYang1,2; Li, Bo1,2,3; Xu, ChunGang1,2,3
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| 刊名 | molecular simulation
 |
| 出版日期 | 2013-04-01 |
| 卷号 | 39期号:4页码:251-260 |
| 关键词 | methane hydrate depressurisation molecular dynamics simulation hydrate production |
| 英文摘要 | 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. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, physical ; physics, atomic, molecular & chemical |
| 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记录号 | WOS:000315942900001 |
| 公开日期 | 2016-01-12 |
| 源URL | [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 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：广州能源研究所
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