A United Chemical Thermodynamic Model: COSMO-UNIFAC

A united
chemical thermodynamic model, that is, the COSMO-UNIFAC
model, was first proposed to predict the phase equilibrium of multicomponent
systems in which the UNIFAC model parameters are missing. This model
combines the advantages of the UNIFAC model (accurate prediction)
and the COSMO-based models (a priori prediction). The predicted vapor–liquid
equilibrium results by the COSMO-UNIFAC model were compared with experimental
data from the literature and this work, confirming that it can provide
a moderate quantitative prediction even if the UNIFAC model parameters
are missing.