Abstract
The excess Gibbs energy of methanol+heptanone systems at 298.15 and 323.15 K have been calculated previously from experimental VLE data. The capability of several theoretical models for predicting VLE data as well as the activity coefficients, has been checked. The simplest models considered are those that assume a random distribution of unlike interactions. The Margules, Van Laar and Scatchard models are tested. Introducing some non-randomness into the distribution of interactions, we have models like those of Wilson, NRTL (α = 0.3), NRTL (α free), UNIQUAC and Heil. The Wilson model, which is the simplest of those examined, gives the best results, indicating that there are important factors which have not been considered in all these models. Models based on group contributions (ASOG, UNIFAC and Barker) have also been checked; these yielded poor results. The models which consider some chemical association of one or both components give better predictions. Nevertheless, there are still some contributions to the excess Gibbs energy which remain unexplained in this kind of mixture.
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