THERMODYNAMICS OF 1-ALKANOL+N-ALKANE MIXTURES BASED ON PREDICTIONS OF THE ERAS MODEL

Five key systems have been selected by the IUPAC workshop on vapor-liquid equilibria of 1-alkanol+n-alkane mixtures for testing models and correlation methods of thermodynamic excess properties. The five binary systems are: methanol+hexane, ethanol+hexane, ethanol+hexadecane, butanol+decane, and hexanol+hexane. ERAS model calculations of H(E), V(E), and G(E) (VLE) at 298.15 K and 323.15 K as well as LLE calculations for methanol+hexane and for ethanol+hexadecane have been compared with experimental data. With exception of activity coefficients at infinite dilution the model provides an almost quantitative description of the experimental data using a small number of adjustable parameters. However, different values of the entropy parameter Q(AB) have to be chosen in order to describe LLE and VLE data properly.