Distribution functions in liquid mixtures: molecular dynamics simulations and mean field theory

The radial distribution functions for the components in coexisting phases of a mixture of attractive and repulsive particles are obtained by molecular dynamics (MD) and compared with mean field theory. The MD calculation shows a higher probability (clustering) of finding pairs of the same species than that given by the ideal mixture relation. Excellent agreement between MD and the mean field model is obtained for solute fractions less than 0·1. The transverse radial distribution function for a slice in the interface agrees well with a (modified) capillarity relation.