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ID 34192
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Author
Koga, Kenichiro ORCID Kakenhi
Abstract
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.
Keywords
ice nanotubes
carbon nanotubes
Note
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
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Copyright © 2005 American Institute of Physics. All rights reserved.
Published Date
2005-09-01
Publication Title
Journal of Chemical Physics
Volume
volume123
Issue
issue9
Publisher
American Institute of Physics
ISSN
0021-9606
NCID
AA00694991
Content Type
Journal Article
language
英語
Copyright Holders
American Institute of Physics
File Version
publisher
Refereed
True
DOI
PubMed ID
Web of Science KeyUT
Submission Path
physical_and_theoretical_chemistry/1