Phase separation of Lennard-Jones systems: A film in equilibrium with vapor

Abstract

Classical ensembles interacting by Lennard-Jones (LJ) forces and exhibiting liquid vapor phase separations are investigated for reduced temperatures t = T/Tc from 0.515 to 0.955 by Monte Carlo methods. An external wall potential is introduced to stabilize the phase separation. The coexistence curve, surface tension, and surface energy are found to be in good agreement with experimental results. The film exhibits a layered structure at the lower temperatures. It is proposed that the method can be exploited to study inhomogeneous systems in general and phase coexistence in particular.