Measurement and Modeling of Phase Equilibrium, Volumetric Properties and Molar Refractivity of 2-Methylpropan-2-ol + Ethane-1,2-diol

Abstract

2-Methylpropan-2-ol, an important fine chemical, may be dehydrated during extractive distillation with glycols as entrainer. Experimental isobaric phase equilibrium studies were carried out on binary mixtures of 2-methylpropan-2-ol with ethane-1,2-diol, as an entrainer, at the local atmospheric pressure of 94.99 kPa and at sub-atmospheric pressures of 19.99, 39.99, 59.99, 78.79 kPa using a Sweitoslawski-type ebulliometer. The Wilson and NRTL activity coefficient models were used to correlate the experimental results and the binary interaction parameters were obtained using the Generalized Reduced Gradient optimization technique. UNIFAC was also used to predict the deviations in bubble temperatures. Moreover, the variation in density, refractive index values and other derived properties (excess molar volumes, partial molar volumes and deviations in molar refractivity) were explored at 303.15, 313.15, 323.15 and 333.15 K to understand the shift of equilibrium with the variation in the mixture composition for the conformational state of the molecules. The Redlich–Kister polynomial equation was used to correlate the excess molar volumes and deviations from molar refractivity. Different theoretical mixing rules (Lorentz–Lorenz, Wiener, Heller, Gladstone–Dale and Arago–Biot) are investigated and reported in terms of average percentage deviation. Furthermore, the Prigogine–Flory–Patterson theory was used to predict the trend of the dependence of excess molar volumes on composition for the present system.