Prediction of vapor-liquid equilibria and enthalpy of mixing by means of UNIFAC models

Abstract

The capabilities of the original and modified UNIFAC models in predicting the vaporliquid equilibria (VLE) and enthalpy of mixing ( H E) in the binary systems formed by unsaturated hydrocarbons with various organic compounds are tested. Two different parameter sets of the original UNIFAC model are used. It is shown that, for the systems investigated, the modified UNIFAC (Mod. UNIFAC) often gives better quantitative VLE prediction than does the original UNIFAC. In the H E prediction none of the models considered is clearly superior to the others. VLE experimental results are reported for two binary systems: 1-octene-butyl acetate at pressures of 760, 600, 400 and 200 Torr, and 3-butylcyclopent-1-ene-4-methyl-2-pentanone at pressures of 600, 400 and 200 Torr. The H E data obtained at 298.15 K and atmospheric pressure are presented for the binary mixtures 1-octene-butyl acetate and 3-butylcyclopent-1-ene-isopropylbenzene.