Thermodynamic properties of binary hard sphere mixtures

Abstract

We present thermodynamic and structural data for binary hard sphere mixtures for diameter ratios α = 0·95, 0·90 and 0·85, obtained from computer simulations in the fluid phase in the face centred cubic solid phase. The equation-of-state data for the liquid are represented accurately by the semi-empirical equation of Mansoori. For the solid mixture the pressure is always found to be higher than that of the monodisperse system at the same packing fraction. We discuss techniques to sample the configuration space of binary mixtures efficiently. We have expressed all our simulation data for the solid phase in a compact way, by fitting them to a single symmetry-adapted analytical function.