Thermodynamic properties of n-alcohol–n-alkane mixtures. A comparative study of some group contribution theories

Abstract

The ability of the Disquac, modified UNIFAC and the association models (AssoDis) to predict thermodynamic properties of alkan-1-ol–n-alkane systems has been tested. The following properties have been examined: excess heat capacities, excess enthalpies, excess Gibbs energies, infinite dilution activity coefficients and partial molar enthalpies at infinite dilution. Only AssoDis is able to give a consistent description of all the properties considered in spite of having fewer parameters; it uses four parameters as opposed to the six required by the Disquac and the modified UNIFAC models.