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.
| Original language | English |
|---|---|
| Article number | 084908 |
| Journal | The Journal of Chemical Physics |
| Volume | 127 |
| Issue number | 8 |
| DOIs | |
| Publication status | Published - 2007 |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
Cite this
Phase equilibria and interfacial tension of fluids confined in narrow pores. / Hamada, Yoshinobu; Koga, Kenichiro; Tanaka, Hideki.
In: The Journal of Chemical Physics, Vol. 127, No. 8, 084908, 2007.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Phase equilibria and interfacial tension of fluids confined in narrow pores
AU - Hamada, Yoshinobu
AU - Koga, Kenichiro
AU - Tanaka, Hideki
PY - 2007
Y1 - 2007
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=34548400858&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=34548400858&partnerID=8YFLogxK
U2 - 10.1063/1.2759926
DO - 10.1063/1.2759926
M3 - Article
AN - SCOPUS:34548400858
VL - 127
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 8
M1 - 084908
ER -