Ss. Ramsinghani et Vn. Kabadi, THERMODYNAMICS OF COAL-DERIVED FLUIDS .1. PHASE-EQUILIBRIA IN MULTIRING AROMATIC-COMPOUNDS, Fuel, 72(7), 1993, pp. 1039-1045
Coal-derived liquids consist mainly of multi-ring compounds with finit
e amounts of organic nitrogen, sulfur and oxygen. A thermodynamic mode
l for phase equilibria of systems containing these compounds has been
developed. The model uses the characterization of complex mixtures in
terms of functional groups that is available in the literature. This c
haracterization allows the functional group composition of mixtures to
be computed directly from the results of chemical analysis. The UNIFA
C activity coefficient model is used for the liquid phase, and the Hay
den-O'Connell virial equation for the vapour phase. All the properties
of compounds required in the correlations are obtained from group con
tributions of the functional groups that constitute the compounds. Eva
luation of this model with VLE data in the literature shows good agree
ment.