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PROOF COPY 502144JCP Curvature dependent surface tension from a simulation of a cavity
 

Summary: PROOF COPY 502144JCP
PROOF
COPY
502144JCP
Curvature dependent surface tension from a simulation of a cavity
in a Lennard-Jones liquid close to coexistence
M. P. Moody and P. Attard
Ian Wark Research Institute, University of South Australia, Mawson Lakes, South Australia 5095
Received 17 July 2001; accepted 4 September 2001
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 cylindrical truncation correction procedure. A bubble
was mimicked by simulating a Lennard-Jones liquid close to coexistence containing a single
immobile hard-sphere cavity. From the density profile of this system the curvature dependent
surface tension has been estimated via calculation of the Helmholtz free energy of the system and
separately using a large cavity contact density expansion. Evidence is presented that the Tolman
length becomes increasingly negative as the critical temperature is approached and possibly changes
sign. 2001 American Institute of Physics. DOI: 10.1063/1.1413514
I. INTRODUCTION
The dependence of surface tension on radius of curva-
ture is fundamental to the study of the properties of small

  

Source: Attard, Phil - School of Chemistry, University of Sydney

 

Collections: Chemistry