VAPOR-LIQUID EQUILIBRIUM CALCULATIONS USING THE TOPOLOGICAL TREATMENT OF MIXTURES.

1983

The Topological Treatment of mixtures is applied to several kinds of binary mixtures to obtain VLE diagrams. The excess Gibbs free energy, gE, is calculated as the product of a topological vector and an information vector. The pure compound topological description were obtained following the DARC system rules. A weighting function was introduced to obtain the topological description of a mixture. The information vector is calculated from experimental data. It is shown that for binary mixtures alcohol-alkane, the components of this vector varies linearly with the average number of carbon atoms of chemical compounds. This relationship allows prediction of the VLE diagram for any other system …