Calculation and prediction of multicomponent azeotropes with activity coefficient models

Abstract

This paper studies the multicomponent azeotropic capacity prediction of activity coefficient models. Wilson and UNIFAC models are used for homogeneous azeotropes while UNIQUAC and UNIFAC models are used for heterogeneous azeotropes. Calculations were done with the commercial software DISTIL and HYSYS using the DISTIL Data Base for the binary parameters. In the case that binary parameters were not available they were estimated from binary experimental data. The prediction capability of the models decreases as the number of components in the mixtures increases. Prediction from Wilson and UNIQUAC are good for ternaries and poor for 4 and 5 component mixtures. Prediction using UNIFAC is as good as those from Wilson and UNIQUAC. However, calculations with UNIFAC produce occasionally two liquid phases in homogeneous systems.