Extension of EOS non‐iterative methods to density calculations: Correlation of saturated molar volumes and heats of vaporization

Abstract

AbstractSoave's direct calculation procedures for the vapor pressure of pure compounds with cubic equations of state (EOSs), have been extended to the calculation of phase densities at saturation for Peng‐Robinson (PR) type EOSs. These universal relations have been used to propose EOS‐based correlation methods for the pure compound saturated liquid and vapor molar volumes, at temperatures higher than the normal boiling point. The methods yield satisfactory results independently of the molecular nature of the chemical under consideration. The results for phase densities are used to correct the heats of vaporization predicted by the ZVPR‐EOS. Complete relative error information is provided for calculated heats of vaporization and correlated vapor and liquid phase molar volumes for more than one hundred compounds of industrial interest.