화학공학소재연구정보센터
Industrial & Engineering Chemistry Research, Vol.34, No.12, 4351-4363, 1995
A Modified Uniquac Model That Includes Hydrogen-Bonding
Based on the association theory of Wertheim, a UNIQUAC association (UNIQUAC-A) model has been developed in which the hydrogen bond is treated as a strong interaction rather than as a chemical reaction. Compared with the original UNIQUAC model, the UNIQUAC-A model results in better correlations of binary vapor-liquid equilibrium data for self-associating mixtures containing either an alcohol or an acid. However, both the UNIQUAC and UNIQUAC-A models produce small errors in pressure and vapor-phase mole fractions for cross-associating mixtures. We report interaction parameters and association parameters for the UNIQUAC-A model that can be used for the extrapolation and prediction of the binary vapor-liquid equilibrium in associating mixtures.