Lifetimes of cagelike water clusters immersed in bulk liquid water: A molecular dynamics study on gas hydrate nucleation mechanisms
文献类型：期刊论文
| 作者 | Guo, GJ; Zhang, YG; Zhao, YJ; Refson, K; Shan, GH |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2004-07-15 |
| 卷号 | 121期号:3页码:1542-1547 |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.1763888 |
| 文献子类 | Article |
| 英文摘要 | Molecular dynamics simulations were performed to observe the evolution of cagelike water clusters immersed in bulk liquid water at 250 and 230 K. Totally, we considered four types of clusters-dodecahedral (5(12)) and tetrakaidecahedral (5(12)6(2)) cagelike water clusters filled with or without a methane molecule, respectively. The lifetimes of these clusters were calculated according to their Lindemann index (delta) using the criterion of deltagreater than or equal to0.07. The lifetimes of the clusters at 230 K are longer than that at 250 K, and their ratios are the same as the ratio of structure relaxation times of bulk. water at these temperatures. For both the filled and empty clusters, the lifetimes of 5(12)6(2) cagelike. clusters are similar to that of 5(12) cagelike clusters. Although the methane molecules indeed make the filled cagelike water clusters live longer than the empty ones, the empty cagelike water clusters still have the chance of being long lived. These observations support the cluster nucleation. hypothesis for the,formation mechanisms of gas hydrates. (C) 2004 American Institute of Physics. |
| WOS关键词 | COMPUTER-SIMULATION ; CLATHRATE HYDRATE ; STABILITY ; VISCOSITY ; GROWTH ; ICE |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000222663300044 |
| 出版者 | AMER INST PHYSICS |
| 源URL | [http://ir.iggcas.ac.cn/handle/132A11/79245]  |
| 专题 | 中国科学院地质与地球物理研究所 |
| 通讯作者 | Guo, GJ |
| 作者单位 | 1.Chinese Acad Sci, Inst Geol & Geophys, Beijing 100029, Peoples R China 2.Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England 3.Chinese Acad Sci, Comp Network Informat Ctr, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Guo, GJ,Zhang, YG,Zhao, YJ,et al. Lifetimes of cagelike water clusters immersed in bulk liquid water: A molecular dynamics study on gas hydrate nucleation mechanisms[J]. JOURNAL OF CHEMICAL PHYSICS,2004,121(3):1542-1547. |
| APA | Guo, GJ,Zhang, YG,Zhao, YJ,Refson, K,&Shan, GH.(2004).Lifetimes of cagelike water clusters immersed in bulk liquid water: A molecular dynamics study on gas hydrate nucleation mechanisms.JOURNAL OF CHEMICAL PHYSICS,121(3),1542-1547. |
| MLA | Guo, GJ,et al."Lifetimes of cagelike water clusters immersed in bulk liquid water: A molecular dynamics study on gas hydrate nucleation mechanisms".JOURNAL OF CHEMICAL PHYSICS 121.3(2004):1542-1547. |
入库方式： OAI收割
来源：地质与地球物理研究所
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