화학공학소재연구정보센터
Thermochimica Acta, Vol.286, No.2, 321-332, 1996
Prediction of Enthalpies of Mixing and Vapor-Liquid-Equilibria for Mixtures Containing Organic Carbonates Plus N-Alkanes Using Several Versions of the UNIFAC Model
Literature data on enthalpies of mixing and vapor-liquid equilibria of organic linear carbonates + n-alkanes mixtures examined on the basis of the UNIFAC model (in its original version as well as in those of Tassios et al., Larsen et al. and Gmehling et al.). For the four versions of the UNIFAC model, the interaction parameters for the carbonate group, O-CO-O, and the methyl and methylene groups, CH3, CH2, respectively, are reported. In the case of the Gmehling version, the geometrical parameters of the carbonate group are also determined. The best predictions are achieved with the Gmehling version, with mean deviations of 4.4% for the excess Gibbs energies and 2.3% for the excess enthalpies.