Measurement, correlation and COSMO-SAC prediction of liquid-liquid equilibrium for the ternary systems, mesityl oxide + o-, m-, p-cresol + water, at 333.2K and 353.2 K

Abstract In this work, liquid-liquid equilibrium (LLE) data for the ternary systems, mesityl oxide +  o -, m -, p -cresol + water, were determined at 333.2 K and 353.2 K under 101 kPa. The high distribution coefficient and selectivity calculated by the experimental tie-line data indicate excellent efficiency for mesityl oxide extracting cresols from aqueous solutions. The NRTL and UNIQUAC models were used to correlate the experimental LLE data, with root mean square deviations (RMSDs) below 2.1% and 1.5%, respectively. The COSMO-SAC model was also employed to calculate the LLE data, which agreed with the experimental results quite well.