Thermodynamics of associated solutions: Prediction of excess molar enthalpies of ternary mixtures containing methanoi, an active non-associating component and n-heptane from binary data

Abstract

The uniquac associated-solution model is used to predict ternary excess enthalpies of methanol + benzene + n-heptane and methanol + methyl tert-butyl ether + n-heptane from binary information. The model assumes that the excess enthalpy is expressed as the sum of chemical and physical terms. The chemical contribution term is due to the association of alcohol and the solvation between alcohol i-mer and a solvating component and the physical contribution term represents non-specific interactions between unlike molecules in solution.