Curvature dependent surface tension from a simulation of a cavity in a Lennard-Jones liquid close to coexistence

Citation
Mp. Moody et P. Attard, Curvature dependent surface tension from a simulation of a cavity in a Lennard-Jones liquid close to coexistence, J CHEM PHYS, 115(19), 2001, pp. 8967-8977
Citations number
28
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
115
Issue
19
Year of publication
2001
Pages
8967 - 8977
Database
ISI
SICI code
0021-9606(20011115)115:19<8967:CDSTFA>2.0.ZU;2-L
Abstract
Monte Carlo simulations have been used to calculate the surface tension of a planar liquid-vapor interface of a Lennard-Jones fluid using a new cylind rical truncation correction procedure. A bubble was mimicked by simulating a Lennard-Jones liquid close to coexistence containing a single immobile ha rd-sphere cavity. From the density profile of this system the curvature dep endent surface tension has been estimated via calculation of the Helmholtz free energy of the system and separately using a large cavity contact densi ty expansion. Evidence is presented that the Tolman length becomes increasi ngly negative as the critical temperature is approached and possibly change s sign. (C) 2001 American Institute of Physics.