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ID 34123
フルテキストURL
著者
Tanaka, Hideki Department of Chemistry, Faculty of Science, Okayama University
Nakatsuka, Takeharu Department of Chemistry, Faculty of Science, Okayama University
Koga, Kenichiro Department of Chemistry, Faculty of Science, Okayama University
抄録
We have extended the van der Waals and Platteeuw theory to treat multiple occupancy of a single cage of clathrate hydrates, which has not been taken into account in the original theory but has been experimentally confirmed as a real entity. We propose a simple way to calculate the free energy of multiple cage occupancy and apply it to argon clathrate structure II in which a larger cage can be occupied by two argon atoms. The chemical potential of argon is calculated treating it as an imperfect gas, which is crucial to predict accurate pressure dependence of double occupancy expected at high pressure. It is found that double occupancy dominates over single occupancy when the guest pressure in equilibrium with the clathrate hydrate exceeds 270 MPa. (C) 2004 American Institute of Physics.
キーワード
RAMAN-SCATTERING
HIGH-PRESSURES
LIQUID WATER
AR HYDRATE
MOLECULES
備考
Digital Object Identifer:10.1063/1.1782471
Published with permission from the copyright holder. This is the institute's copy, as published in the Journal of Chemical Physics, Sep 2004, Volume 121, Issue 11, Pages 5488-5493.
Publisher URL:http://dx.doi.org/10.1063/1.1782471
Direct access to Thomson Web of Science record
Copyright © 2004 American Institute of Physics
発行日
2004-09-15
出版物タイトル
Journal of Chemical Physics
121巻
11号
出版者
American Institute of Physics
開始ページ
5488
終了ページ
5493
ISSN
0021-9606
NCID
AA00694991
資料タイプ
学術雑誌論文
言語
English
著作権者
American Institute of Physics
論文のバージョン
publisher
査読
有り
DOI
PubMed ID
Web of Sience KeyUT
Submission Path
physics_general/23