Grand canonical simulation of phase behaviour in highly size-asymmetrical binary fluids

Abstract

We describe a Monte Carlo scheme for the grand canonical simulation study of fluid phase equilibria in highly size-asymmetrical binary mixtures. The method utilizes an expanded ensemble in which the insertion and deletion of large particles is accomplished {\em gradually} by traversing a series of states in which a large particle interacts only partially with the environment of small particles. Free energy barriers arising from interfacial coexistence states are surmounted with the aid of multicanonical preweighting, the associated weights being determined from the transition matrix. As an illustration, we present results for the liquid-vapour coexistence properties of a Lennard-Jones binary mixture having a 10:1 size ratio.

8 pages

References in corpus (5)

• Crystallization of hard-sphere glasses
• Optimizing the ensemble for equilibration in broad-histogram Monte Carlo simulations
• Computer simulation of fluid phase transitions
• Colloidal stabilization via nanoparticle haloing
• Simulation of phase transitions in highly asymmetric fluid mixtures

Cited by in corpus (8)

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• How soft repulsion enhances the depletion mechanism
• Monte Carlo cluster algorithm for fluid phase transitions in highly size-asymmetrical binary mixtures
• Correction of coarse-graining errors by a two-level method: application to the Asakura-Oosawa model
• Monte Carlo methods for estimating depletion potentials in highly size-asymmetrical hard sphere mixtures
• Multilevel simulation of hard-sphere mixtures