Integral equation theory of Lennard-Jones fluids: A modified Verlet bridge function approach

Abstract

An integral equation theory for the Lennard-Jones fluid is investigated using a proposed new closure based on a modification of the Verlet-modified bridge function, which has been known to be very successful for hard body fluids. The structural and thermodynamic properties of the Lennard-Jones fluid calculated from this integral equation theory over a wide range of temperature and density show very good agreement with those obtained from simulation or from equation of state derived from simulation data. The gas–liquid phase diagram predicted by the present integral equation theory is shown to agree quite well with the corresponding simulation results.