FORMULATION AND PREDICTION OF QUATERNARY VAPOR-LIQUID EQUILIBRIA ACCOMPANIED BY ESTERIFICATION

Abstract

Quaternary vapor-liquid equilibria with ester if) cation have been formulated mathematically. First, activity coefficients have been related to liquid compositions with polynomial equations derived from the Mar gules model, and second, the parameters Bt defined in an equation of the vapor-liquid equilibrium ratio with esterification reported previously have been represented by polynomials. Both correlations are adequate to describe the behavior of the given systems.
Vapor-liquid equilibrium with reaction of the system acetic acid-ethanol-water-ethyl acetate was predicted from Wilson''s parameters obtained from binary system data only. Association equilibrium constants of dimerization and trimerization in acetic acid vapor were used to calculate modified activity coefficients, and Wilson''s parameters were determined from six binary data. The agreement of the calculated and experimental data may be considered satisfactory for the practical use to design multicomponent distillation column reactors.