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.

Automated summary

The equilibrium thermodynamic properties of binary Lennard-Jones mixtures are studied using a Monte Carlo-based perturbation theory. The results are compared with simulation data for two equimolar binary Lennard-Jones fluid mixtures at different temperatures and densities. The approach seems to be accurate and useful for studying mixtures with various intermolecular interactions, including real fluid mixtures.