Mapping a hard-sphere fluid mixture onto a single component hard-sphere fluid

Abstract

The possibility of obtaining the thermodynamic and structural properties of a binary additive hard-sphere fluid mixture on the basis of the corresponding properties of a suitable single-component hard-sphere fluid is analyzed. To this end, Monte Carlo simulations have been performed for binary mixtures of hard spheres for different densities, compositions and diameter ratios in order to obtain the compressibility factor Z and the partial radial distribution functions g ij ( r ) for pairs ij of the mixtures. These data are used to test the reliability of different proposals available in the literature for mapping the thermodynamic and structural properties of conformal mixtures onto those of a single-component fluid. It is found that, while the averaged radial distribution function and the equation of state of the mixture can be reasonably well reproduced by means of those of an equivalent single-component fluid, the partial radial distribution functions cannot be obtained with enough accuracy from the radial distribution function of the equivalent fluid. A possible explanation for this fact is suggested.