Equilibrium thermodynamic properties of Lennard–Jones fluid mixtures from a single-component effective fluid model.

The equilibrium thermodynamic properties of binary Lennard–Jones mixtures are determined by means of a Monte Carlo-based perturbation theory for an effective single-component fluid. The results for the equation of state and the excess energy are compared with simulation data obtained for two equimolar binary Lennard–Jones fluid mixtures at different temperatures along a wide range of densities. The satisfactory accuracy achieved seems to suggest that this approach might be a useful tool to deal with mixtures with a wide variety of intermolecular interactions including mixtures of real fluids. [ABSTRACT FROM AUTHOR]