Structure of variable-width square-well fluids from the reference hypernetted chain equation

Abstract

The problem of calculating the structure of square-well (SW) fluids in the context of non-conformal fluids is reviewed briefly. New and extensive results over a wide range of SW systems and thermodynamic states were obtained by means of the reference hypernetted chain (RHNC) integral equation. The results show that RHNC theory is in excellent agreement with the results of simulation, thus providing a reliable and fast procedure for obtaining the structure of fluids with discontinuous potentials. A few representative results are presented and compared with new Monte Carlo simulation data. The bridge functions obtained with the RHNC procedure are also compared with those calculated directly from the Monte Carlo radial distribution functions.