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ID 34139
FullText URL
Author
Hamada, Yoshinobu
Koga, Kenichiro ORCID Kaken ID
Abstract
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.
Keywords
MONTE-CARLO-SIMULATION
CARBON NANOTUBES
WATER
TRANSITION
NANOSPACES
ADSORPTION
NANOPORES
SURFACE
LIQUID
WALLS
Note
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
Published Date
2007-08-28
Publication Title
Journal of Chemical Physics
Volume
volume127
Issue
issue8
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
physics_general/30