Liquid–Liquid Equilibrium and Thermodynamic Analysis of Water + Epichlorohydrin + Solvent (Anisole, MTBE) Systems at 303.2–323.2 K and 101.3 kPa

Abstract For separating the epichlorohydrin–water azeotropic mixture, liquid–liquid equilibrium (LLE) data were measured for the water + epichlorohydrin + solvent (anisole and MTBE) ternary systems at 101.3 kPa and 303.2, 313.2, and 323.2 K. All studied systems belong to Treybal’s type II. The distribution coefficient (D) and selectivity coefficient (S) were calculated to evaluate the extraction performance for epichlorohydrin from water. The Hand and Othmer-Tobias equations were applied to validate the reliability of LLE data; the linear coefficient exceeds 0.99. Quantum chemical calculations were performed to investigate intermolecular interactions. The LLE data were correlated with the NRTL (nonrandom two-liquid) and universal quasi-chemical (UNIQUAC) thermodynamic models, and binary interaction parameters were obtained with root-mean-square deviations (RMSD) less than 1.03%. The GUI-MATLAB tool was further used to check the consistency of the regressed binary interaction parameters for both models.