Abstract
A formally exact Kirkwood-Buff virial formula for the surface tension of a supersaturated interface is derived. A modified Gibbs ensemble method is given that allows the creation of interacting supersaturated phases of equal chemical potential, and which enables the Kirkwood-Buff formula to be applied. The methods are tested by Monte Carlo simulation of a supersaturated Lennard-Jones fluid with a planar liquid-vapor interface. The Kirkwood-Buff results for the supersaturated surface tension are found to be in reasonable agreement with new results obtained here using the recently developed, formally exact, ghost interface method, [M. P. Moody and P. Attard, J. Chem. Phys., 2002, 117, 6705]. The surface tension is obtained as a function of supersaturation at four temperatures, and it is found to decrease with increasing supersaturation, and to vanish at the vapor spinodal. The relevance of the present results to the nucleation of droplets in a supersaturated vapor is discussed.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
