Ternary Liquid-Liquid Equilibria of a 2-Propanol+Water+Decalin Mixture

Bi-phasic catalytic reaction is a promising technique that can be applied to the pyrolysis oil refining process. This methodology employs nanoparticle catalysts to selectively catalyze target reactions in the oil and aqueous phases. Liquid-liquid equilibrium (LLE) data is essential to understand the phase behavior properties of compounds that are produced in bi-phasic reactions.

Bi-phasic reactions in the presence of water and decalin are being studied at University of Oklahoma (OU) and Oklahoma State University (OSU). LLE experimental data involving water, decalin and  2-propanol are scarce in the literature. The purpose of this work is to provide LLE data for a 2-propanol (1) + water (2) + decalin (3)  ternary system at a temperature of 30 °C and determine the non-random two-liquid (NRTL) model parameter values of the system.

The concentration measurements were converted to mole fraction and the mass balance of the measurements was verified. Regression analysis was performed in ASPEN PLUS using the following objective function (OF):


LLE data for the 2-propanol (1) + water (2) + decalin (3) were determined at a temperature of 30 °C. The potential consistency of the data was established using the Othmer-Tobias correlation. The NRTL activity coefficient model was employed to correlate the experimental data and provided good representation of the experimental tie-lines. The predictions from the NRTL model were within 3.5 and 5 average absolute percent deviations (%AAD) for mole fractions and partition coefficient predictions, respectively.