Thermodynamics of alkanol–alkane systems. New modifications of the ERAS model

Abstract

A new modification of the ERAS model, which is widely used to describe thermodynamic properties of alcohol–alkane systems, has been proposed. Its necessity results mainly from the observation that the original model is not able to reproduce excess heat capacity data. It is based on a different formulation of the so-called chemical contribution to the model. The refined approach has been tested through correlation and prediction of excess heat capacities, excess enthalpies, excess volumes, excess Gibbs energies and also the spectroscopic properties, giving results better, or not worse, than the original ERAS model.