Bridge Function and Cavity Correlation Function from Simulation: Implications on Closure Relations

摘要

In this paper we review recent molecular simulation results for the bridge function and cavity correlation function of the Lennard-Jones and soft-sphere fluids. We demonstrate that closures similar to the Percus-Yevick (PY) closure are poor at short range and should only be valid for repulsive fluids. Finally, by comparing with our simulation results for the Lennard-Jones bridge function. we show how to rescale the Lennard-Jones bridge function so that it can be approximated with the bridge function for a repulsive fluid.