VAPOR-LIQUID-EQUILIBRIA FROM AN IMPROVED HARD CONVEX BODY EXPANSION METHOD .1. PURE NONPOLAR FLUIDS

This study applies the hard convex body expansion (HCBE) method to calculate vapor-liquid equilibria of non-polar fluids. A generalized corresponding states approach, as used by Kwon and Leland, is also employed in this work. We redefine a geometrical acentric factor, which is related to the geometry of a convex molecule, for each pure component. For fluids other than the reference components, this parameter is fitted as a function of temperature, which gives optimal correlation results for saturated vapor pressures. Pure compound properties are successfully correlated by the improved HCBE method. The method developed in this study is also capable of the generalized prediction of the properties of pure substances. An extension to mixture calculations will be presented in a future publication.