Abstract
Abdoul W., Rauzy E. and Péneloux A., 1991. Group-contribution equation of state for correlating and predicting thermodynamic properties of weakly polar and non-associating mixtures. Binary and multicomponent systems. Fluid Phase Equilibria, 68: 47-102. The applicability of the “Guggenheim quasi-lattice excess function equation of state” formalism is tested through a zeroth approximation group-contribution model and a Peng-Robinson-type equation of state. The temperature-dependent correlations of the group-contribution model are derived from low-pressure excess enthalpy ( H E) and vaporliquid equilibrium (VLE) binary data and are then extended to the prediction of high-pressure vapor-liquid equilibria of mixtures of weakly polar and non-associating compounds (i.e. hydrocarbons, CO 2, H 2S, N 2). The numbers of binary systems, data sets and determinations used in the development and testing of the method are 169, 805 and 10634 for low-pressure VLE; 282, 789 and 11308 for H E; and 163, 1329 and 12272 for high-pressure VLE, respectively. The average relative deviation with experiment in bubble-point pressure is 1% and the average absolute deviation in vapor-phase composition is 0.005 for low-pressure VLE data. Heat effects are well reproduced with average deviations of 12 J for 7009 determinations of binaries with H E less than 300 J and 5.5% for 4299 determinations of binaries with higher H E. Owing to a term accounting for chain-length effects, the accuracy of the prediction of high-pressure VLE is not deteriorated by the group-contribution approach (average deviations of 3% in bubble-point pressure, 0.0103 in vapor-phase composition). Thus, in addition to its predictive power, the method is found to be an improvement over the classical Peng-Robinson procedure with constant binary interaction parameters, especially for mixtures of molecules of different sizes.
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