Prediction of vapor-liquid and liquid-liquid equilibria in phenol + hydrocarbon systems

Abstract

Abstract Schmelzer, J., Obst, S.-O. and Suhnel, K., 1991. Prediction of vapor-liquid and liquid-liquid equilibria in phenol + hydrocarbon systems. Fluid Phase Equilibria , 69: 193-207. Experimental data on vapor-liquid equilibrium (VLE) and liquid-liquid equilibrium (LLE), which had been measured or taken from the literature, were used to test prediction methods for mixtures of phenol + n -alkane, + alkylbenzene, and + naphthene over an extended pressure region. The predictions are made on the basis of three different models: the UNIFAC, the group-contribution equation of state and a three-parameter equation of state, in conjunction with a chemical theory for dimerization or trimerization of phenol. The results indicate, that for binary and polynary systems containing phenol and hydrocarbons, UNIFAC can best predict vapor-liquid equilibria at rather low pressures, while the GC-EOS method predicts VLE data most accurately at elevated pressures. The more special calculation procedure following the Wenzel method, however, generates good results at both low and high pressures, as well as providing a new opportunity to represent VLE and LLE data simultaneously.