Prediction of vapor‐liquid equilibrium data from excess enthalpy data for alkanol/alkane mixtures by the extended real associated solution model

Abstract

AbstractThe prediction of Vapor‐liquid Equilibrium data (VLE) from excess enthalpy data (HE) for alkanol/alkane mixtures by means of the Hanks‐Gupta‐Christensen (HGC) method is examined. The Extended Real Associated Solution model (ERAS) for the excess Gibbs energy which combines the Kretschmer‐Wiebe linear association model with Flory's equation of state for chainlike molecules is used. In this prediction, the parameters of the ERAS model are evaluated by fitting the experimental HE data to the algebraic equation for the HE of this model. Results from this study indicate that the ERAS model leads to VLE predictions which are more accurate than those previously obtained when the HGC method was used in conjunction with the Continuous Linear Association model or the Wiehe‐Bagley model.