Prediction of free excess enthalpy and excess enthalpy of nonelectrolyte mixtures with the modified TASQUAC model

Abstract

Using the known models for liquid mixtures (NRTL, UNIQUAC,...), the excess free enthalpy and the heats of mixing cannot be calculated simultaneously in good agreement with experimental data using only two parameters (or three for NRTL) per temperature and binary system. The excess enthalpy can be estimated only qualitatively but not quantitatively. There is also much doubt about the sign of the predictedHE data if the absolute value ofHE is small [1]. In this work, we examined the possibilities of modified TASQUAC in simultaneous prediction ofVLE andHE data and the thermodynamic consistency of experimental data.