Vapor−Liquid Equilibria and Enthalpies of Mixing in a Temperature Range from 298.15 to 413.15 K for the Further Development of Modified UNIFAC (Dortmund)

Abstract

Isothermal P−x data (VLE) and excess enthalpy (hE) data for the binary systems methyl formate, ethyl formate, and butyl formate + water and toluene + 1,2-ethanediol have been measured with the help of a computer-operated static apparatus and an isothermal flow calorimeter. Additionally, hE data for the binary systems benzene + 1,2-ethanediol and benzene and ethanol + N,N-dimethylacetamide have been determined. The experimental VLE and hE data have been used for the revision and extension of the group contribution method Modified UNIFAC (Dortmund). Besides these new data various types of thermodynamic data (vapor−liquid equilibria (VLE), excess enthalpies (hE), activity coefficients at infinite dilution (γ∞), liquid−liquid equilibria (LLE), solid−liquid equilibria (SLE), and azeotropic data (AZD)) taken from the Dortmund Data Bank have simultaneously been used for fitting temperature-dependent group interaction parameters. The new or revised Modified UNIFAC (Dortmund) parameter pairs for the new main group “dialkylated amides” and the interaction between formates and water are given. The predicted results are in good agreement with the experimental data.