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ID 34139
フルテキストURL
著者
Hamada, Yoshinobu Department of Chemistry, Faculty of Science, Okayama University
Koga, Kenichiro Department of Chemistry, Faculty of Science, Okayama University
Tanaka, Hideki Department of Chemistry, Faculty of Science, Okayama University
抄録
Correlation between phase behaviors of a Lennard-Jones fluid in and outside a pore is examined over wide thermodynamic conditions by grand canonical Monte Carlo simulations. A pressure tensor component of the confined fluid, a variable controllable in simulation but usually uncontrollable in experiment, is related with the pressure of a bulk homogeneous system in equilibrium with the confined system. Effects of the pore dimensionality, size, and attractive potential on the correlations between thermodynamic properties of the confined and bulk systems are clarified. A fluid-wall interfacial tension defined as an excess grand potential is evaluated as a function of the pore size. It is found that the tension decreases linearly with the inverse of the pore diameter or width.
キーワード
MONTE-CARLO-SIMULATION
CARBON NANOTUBES
WATER
TRANSITION
NANOSPACES
ADSORPTION
NANOPORES
SURFACE
LIQUID
WALLS
備考
Digital Object Identifer:10.1063/1.2759926
Published with permission from the copyright holder. This is the institute's copy, as published in Journal of Chemical Physics, AUG 2007, Volume 127, Issue 8.
Publisher URL:http://dx.doi.org/10.1063/1.2759926
Direct access to Thomson Web of Science record
Copyright © 2007 American Institute of Physics
発行日
2007-08-28
出版物タイトル
Journal of Chemical Physics
127巻
8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
OAI-PMH Set
岡山大学
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/30