Molecular dynamics simulation of methane hydrate dissociation process in the presence of thermodynamic inhibitor
文献类型：期刊论文
| 作者 | Wan Li-Hua1,2,3; Yan Ke-Feng1,3; Li Xiao-Sen1,3; Fan Shuan-Shi4 |
| 刊名 | Acta physico-chimica sinica
 |
| 出版日期 | 2009-03-01 |
| 卷号 | 25期号:3页码:486-494 |
| 关键词 | Gas hydrate Molecular dynamics Ethylene glycol solution Dissociation |
| ISSN号 | 1000-6818 |
| DOI | 10.3866/pku.whxb20090315 |
| 通讯作者 | Li xiao-sen(lixs@ms.giec.ac.cn) |
| 英文摘要 | The dissociation of methane hydrate in the presence of ethylene glycol (11.45 mol.l-1) at 277.0 k was studied using canonical ensemble (nvt) molecular dynamics simulations. results show that hydrate dissociation starts from the surface layer of the solid hydrate and then gradually expands to the internal layer. thus, the solid structure gradually shrinks until it disappears. a distortion of the hydrate lattice structure occurs first and then the hydrate evolves from a fractured frame to a fractional fragment. finally, water molecules in the hydrate construction exist in the liquid state. the inner dissociating layer is, additionally, coated by a liquid film formed from outer dissociated water molecules outside. this film inhibits the mass transfer performance of the inner molecules during the hydrate dissociation process. |
| WOS关键词 | ETHYLENE-GLYCOL ; CRYSTAL-STRUCTURE ; HEAT ; 2-AMINOETHANOL ; LIQUIDS |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Physical |
| 语种 | 英语 |
| WOS记录号 | WOS:000264422200015 |
| 出版者 | PEKING UNIV PRESS |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2402110 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Li Xiao-Sen |
| 作者单位 | 1.Chinese Acad Sci, Ctr Gas Hydrate res, Guangzhou Inst Energy Convers, Guangzhou 510640, Peoples R China 2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China 3.Chinese Acad Sci, Key Lab Renewable Energy & Gas Hydrate, Guangzhou 510640, Peoples R China 4.S China Univ Technol, Key Lab Enhanced Heat Transfer & Energy Conservat, Minist Educ, Guangzhou 510640, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wan Li-Hua,Yan Ke-Feng,Li Xiao-Sen,et al. Molecular dynamics simulation of methane hydrate dissociation process in the presence of thermodynamic inhibitor[J]. Acta physico-chimica sinica,2009,25(3):486-494. |
| APA | Wan Li-Hua,Yan Ke-Feng,Li Xiao-Sen,&Fan Shuan-Shi.(2009).Molecular dynamics simulation of methane hydrate dissociation process in the presence of thermodynamic inhibitor.Acta physico-chimica sinica,25(3),486-494. |
| MLA | Wan Li-Hua,et al."Molecular dynamics simulation of methane hydrate dissociation process in the presence of thermodynamic inhibitor".Acta physico-chimica sinica 25.3(2009):486-494. |
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来源：中国科学院大学
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