Prediction of excess enthalpies of some ternary systems involving a binary mixture with a miscibility gap using a group contribution model

Abstract

A new study has been made of the performance of the Kehiaian-Guggenheim-Barker group contribution model in the characterization of the excess molar enthalpies ( H E) of ternary organic mixtures. The present work reports the predictions of the model for seven sets of H E ternary data. The seven mixtures of methanol, as first component, with n-alkanes 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 and the maximum value of this excess function are less than 0.38 for all the systems. Previously obtained parameters for alcohol-aliphatic and alcohol-aromatic interactions were tested with the binary excess functions H E, G E and excess heat capacity C p E, liquid-liquid equilibria, and activity coefficients at infinite dilution.