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
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.