Prediction of excess functions of some ternary organic mixtures containing ethanol with a group contribution model

Abstract

A study has been made of the performance of the Kehiaian-Guggenheim-Barker group contribution model in the characterization of the excess molar functions of ternary organic mixtures. The present work reports the predictions of the model for the concentration dependence of one set of G E ternary data and eight sets of H E ternary data. The nine mixtures, of ethanol, as first component, with n-alkanes, cyclohexane and aromatic hydrocarbons, were treated in the framework of the DISQUAC model. The ratios of the standard deviations between experimental and predicted excess molar enthalpies H E or excess molar Gibbs functions G E and the maximum values of those excess functions are less than 0.11 for all the systems. Previously obtained parameters for alcohol-aliphatic, alcohol-aromatic and alcohol-cyclic interactions were tested with the binary excess functions H E, G E and the excess heat capacity C E p , liquid-liquid equilibria and activity coefficients at infinite dilution.