STRUCTURE OF VARIABLE-WIDTH SQUARE-WELL FLUIDS FROM THE REFERENCE HYPERNETTED-CHAIN EQUATION

The problem of calculating the structure of square-well (SW) fluids in the context of non-conformal fluids is reviewed briefly. New and exte nsive results over a wide range of SW systems and thermodynamic states were obtained by means of the reference hypernetted chain (RHNC) inte gral equation. The results show that RHNC theory is in excellent agree ment with the results of simulation, thus providing a reliable and fas t procedure for obtaining the structure of fluids with discontinuous p otentials. A few representative results are presented and compared wit h new Monte Carlo simulation data. The bridge functions obtained with the RHNC procedure are also compared with those calculated directly fr om the Monte Carlo radial distribution functions.