An application of the UNIFAC-RKS method to a reactive system

Abstract

Santacesaria, E., Di Serio, M., Tesser, R. and Triunfo, P., 1993. An application of the UNIFAC-RKS method to a reactive system. Fluid Phase Equilibria , 84: 111-122. The simple and predictive method for describing vapour-liquid equilibria at high pressure and temperature developed previously by the authors and applied to different kinds of binary mixture is extended to the description of ternary mixtures and to a multicomponent reactive system. The method is based on the use of the UNIFAC-VIRIAL method for generating vapour-liquid equilibrium data of binary systems at moderate pressures (3–4 atm) and temperatures. The data were then reproduced by the Redlich-Kwong-Soave equation of state and the quadratic mixing rules. The best fit of the data was obtained by regression analysis of the binary interaction parameters. We observed that these parameters can be used directly at higher pressures and temperatures to describe satisfactorily the vapour-liquid equilibria of binary and multicomponent mixtures.