Characterization of the alkanol/alkanol contacts and prediction of excess functions of ternary systems of two n-alkan-1-ols and one n-alkane using DISQUAC

Abstract

Abstract Gonzalez, J.A., Garcia de la Fuente, I., Cobos, J.C. and Casanova, C., 1992. Characterization of the alkanol/alkanol contacts and prediction of excess functions of ternary systems of two n-alkan-1-ols and one n-alkane using DISQUAC. Fluid Phase Equilibria, 78: 61-80. The data available in the literature on the molar excess Gibbs energies GE, molar excess enthalpies HE, and activity coefficients at infinite dilution γ∞i, for mixtures of two n-alkan-1-ols are examined on the basis of the DISQUAC group contribution model. Using the available interaction parameters for the hydroxyl/aliphatic contacts, the interchange coefficients for the hydroxyl/hydroxyl contacts CDISh1h2,l (l = 1, 2, 3)were fitted. One set of GE ternary data and 21 sets of HE ternary data for n-alkan-1-ol(1)+ n-alkan-1-ol(2) + n-alkane(3) systems are also investigated in the framework of this model. The relative standard deviations for the excess enthalpies are less than 0.1 for most of the mixtures.