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.