Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

ABSTRACT

Carbonate esters and esters were commonly used as solvents, reaction carrier and additives in the organic synthesis, pharmaceutical industry, and processing industries. The vaporliquid equilibrium (VLE) data are vital to the separation process or process simulation for separating solvents. Therefore, it is necessary to enrich a VLE database for carbonate esters and esters. In this study, isobaric VLE data for three systems of isopropyl acetate + diethyl carbonate (DEC), sec-butyl acetate + DEC, and DEC + isoamyl acetate at 101.3 kPa were determined for enriching the group interaction parameters for carbonate esters. Meanwhile, the thermodynamic consistency of the VLE data were tested using the Van Ness method modified by Fredenslund et al. The Wilson, NRTL, and UNIQUAC models were used and found have good consistency for all binary systems between the experimental and simulated data. At the same time, the VLE data were correlated by the UNIFAC-DMD model to supplement the group parameters for carbonate esters. The average absolute deviation (AAD) of the temperature of the activity coefficient model and the UNIFAC-DMD model is not less than 0.16K, and the AAD of the vapor phase mole fraction is not less than 0.0016. In addition, azeotropy did not occur in all binary systems.