Cluster algorithm for non-additive hard-core mixtures

Abstract

In this paper, we present a cluster algorithm for the numerical simulations of non-additive hard-core mixtures. This algorithm allows one to simulate and equilibrate systems with a number of particles two orders of magnitude larger than previous simulations. The phase separation for symmetric binary mixtures is studied for different non-additvities as well as for the Widom-Rowlinson model (B. Widom and J. S. Rowlinson, J. Chem. Phys. 52, 1670 (1970)) in two and three dimensions. The critical densities are determined from finite size scaling. The critical exponents for all the non-additivities are consistent with the Ising universality class.

11 pages and 9 figures, to be published in J. Chem. Phys. Minor corrections and some references added

Cited by in corpus (12)

• Virial coefficients, thermodynamic properties, and fluid-fluid transition of nonadditive hard-sphere mixtures
• Monte Carlo simulation of the nonadditive restricted primitive model of ionic fluids: Phase diagram and clustering
• Critical behavior of the Widom-Rowlinson mixture: coexistence diameter and order parameter
• Monte Carlo cluster algorithm for fluid phase transitions in highly size-asymmetrical binary mixtures
• Explicit spatial description of fluid inclusions in porous matrices in terms of an inhomogeneous integral equation
• Demixing can occur in binary hard-sphere mixtures with negative non-additivity
• Nonadditive hard-sphere fluid mixtures: A simple analytical theory
• Structure and phase equilibria of the Widom-Rowlinson model
• The restricted primitive model of ionic fluids with nonadditive diameters
• Fourth virial coefficients of asymmetric nonadditive hard-disc mixtures
• Virial coefficients, equation of state, and demixing of binary asymmetric nonadditive hard-disk mixtures
• Critical point calculation for binary mixtures of symmetric non-additive hard disks