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ID 34192
フルテキストURL
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著者
Tanaka, Hideki Department of Chemistry, Faculty of Science, Okayama University
Koga, Kenichiro Department of Chemistry, Faculty of Science, Okayama University
抄録
A composite ice nanotube inside a carbon nanotube has been explored by molecular dynamics and grandcanonical Monte Carlo simulations. It is made from an octagonal ice nanotube whose hollow space contains hydrophobic guest molecules such as neon, argon, and methane. It is shown that the attractive interaction of the guest molecules stabilizes the ice nanotube. The guest occupancy of the hollow space is calculated by the same method as applied to clathrate hydrates.
キーワード
ice nanotubes
carbon nanotubes
備考
Digital Object Identifer:10.1063/1.2031127 Published with permission from the copyright holder. This is the author's copy of the work, as published in Journal of Chemical Physics, 1 September 2005, Volume 123, Issue 9
Publisher URL: http://dx.doi.org/10.1063/1.2031127
Direct access to Thomson Web of Science record
Copyright © 2005 American Institute of Physics. All rights reserved.
発行日
2005-09-01
出版物タイトル
Journal of Chemical Physics
123巻
9号
出版者
American Institute of Physics
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
physical_and_theoretical_chemistry/1