中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Effect of H-bond topology on the lifetimes of cagelike water clusters immersed in liquid water and the probability distribution of these lifetimes: Implications for hydrate nucleation mechanisms

文献类型:期刊论文

作者Guo, GJ; Zhang, YG; Refson, K
刊名CHEMICAL PHYSICS LETTERS
出版日期2005-09-26
卷号413期号:4-6页码:415-419
ISSN号0009-2614
DOI10.1016/j.cplett.2005.08.015
文献子类Article
英文摘要We perform molecular dynamics simulations to study whether the H-bond topology affects the lifetimes of cagelike water clusters immersed in liquid water. Six clusters with H-bond topologies of different energy levels are considered. The lifetimes of each cluster are measured 200 times independently. Statistical analyses show that the H-bond topology has no effect on the lifetimes and the lifetime data obey the lognormal distribution. The implications of these results for the studies on gas hydrate nucleation mechanisms are discussed. (c) 2005 Elsevier B.V. All rights reserved.
WOS关键词MOLECULAR-DYNAMICS ; HYDROGEN ; SIMULATION ; DISSOCIATION ; FRAMEWORKS ; (H2O)(20) ; MODEL ; FORM
WOS研究方向Chemistry ; Physics
语种英语
WOS记录号WOS:000232094200032
出版者ELSEVIER SCIENCE BV
源URL[http://ir.iggcas.ac.cn/handle/132A11/65013]  
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, State Key Lab Lithopher Evolut, Beijing 100029, Peoples R China
2.Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England
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Guo, GJ,Zhang, YG,Refson, K. Effect of H-bond topology on the lifetimes of cagelike water clusters immersed in liquid water and the probability distribution of these lifetimes: Implications for hydrate nucleation mechanisms[J]. CHEMICAL PHYSICS LETTERS,2005,413(4-6):415-419.
APA Guo, GJ,Zhang, YG,&Refson, K.(2005).Effect of H-bond topology on the lifetimes of cagelike water clusters immersed in liquid water and the probability distribution of these lifetimes: Implications for hydrate nucleation mechanisms.CHEMICAL PHYSICS LETTERS,413(4-6),415-419.
MLA Guo, GJ,et al."Effect of H-bond topology on the lifetimes of cagelike water clusters immersed in liquid water and the probability distribution of these lifetimes: Implications for hydrate nucleation mechanisms".CHEMICAL PHYSICS LETTERS 413.4-6(2005):415-419.

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来源:地质与地球物理研究所

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