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International Conference on Gas Hydrates (ICGH) (6th : 2008)

DYNAMIC LIFETIMES OF CAGELIKE WATER CLUSTERS IMMERSED IN LIQUID WATER AND THEIR IMPLICATIONS FOR HYDRATE NUCLEATION STUDIES Guo, Guang-Jun; Zhang, Yi-Gang; Li, Meng; Wu, Chang-Hua

Abstract

Recently, by performing molecular dynamics simulations in the methane-water system, we have measured the static lifetimes of cagelike water clusters (CLWC) immersed in bulk liquid water, during which the member-water molecules of CLWCs are not allowed to exchange with their surrounding water molecules [J. Phys. Chem. C, 2007, 111, 2595]. In this study, we measure the dynamic lifetimes of CLWCs with permitting such water exchanges. It is found that the dynamic lifetimes of CLWCs are not less than the static lifetimes previously obtained, and their ratio increases with the lifetime values. The results strengthen that CLWCs are metastable structures in liquid water and the occurrence probability of long-lived CLWCs will increase if one uses the dynamic lifetimes instead of the static lifetimes. The implications of this study for hydrate nucleation are discussed.

Item Metadata

Title
DYNAMIC LIFETIMES OF CAGELIKE WATER CLUSTERS IMMERSED IN LIQUID WATER AND THEIR IMPLICATIONS FOR HYDRATE NUCLEATION STUDIES
Creator
Guo, Guang-Jun; Zhang, Yi-Gang; Li, Meng; Wu, Chang-Hua
Contributor
University of British Columbia. Department of Chemical and Biological Engineering; International Conference on Gas Hydrates (6th : 2008 : Vancouver, B.C.)
Date Issued
2008-07
Description
Recently, by performing molecular dynamics simulations in the methane-water system, we have measured the static lifetimes of cagelike water clusters (CLWC) immersed in bulk liquid water, during which the member-water molecules of CLWCs are not allowed to exchange with their surrounding water molecules [J. Phys. Chem. C, 2007, 111, 2595]. In this study, we measure the dynamic lifetimes of CLWCs with permitting such water exchanges. It is found that the dynamic lifetimes of CLWCs are not less than the static lifetimes previously obtained, and their ratio increases with the lifetime values. The results strengthen that CLWCs are metastable structures in liquid water and the occurrence probability of long-lived CLWCs will increase if one uses the dynamic lifetimes instead of the static lifetimes. The implications of this study for hydrate nucleation are discussed.
Extent
305079 bytes
Subject
Cagelike water clusters; CLWC; Hydrate nucleation; Dynamic lifetime
Genre
Conference Paper
Type
Text
File Format
application/pdf
Language
eng
Date Available
2008-07-22
Provider
Vancouver : University of British Columbia Library
Rights
Attribution-NonCommercial-NoDerivatives 4.0 International
DOI
10.14288/1.0040985
URI
http://hdl.handle.net/2429/1058
Affiliation
Non UBC
Citation
Guo, Guang-Jun; Zhang, Yi-Gang; Li, Meng; Wu, Chang-Hua. 2008. DYNAMIC LIFETIMES OF CAGELIKE WATER CLUSTERS IMMERSED IN LIQUID WATER AND THEIR IMPLICATIONS FOR HYDRATE NUCLEATION STUDIES. Proceedings of the 6th International Conference on Gas Hydrates (ICGH 2008), Vancouver, British Columbia, CANADA, July 6-10, 2008.
Peer Review Status
Unreviewed
Copyright Holder
Guo, Guang-Jun
Rights URI
http://creativecommons.org/licenses/by-nc-nd/4.0/
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Attribution-NonCommercial-NoDerivatives 4.0 International