This is an extended research of the paper (Islam et al., 2011) conducted to obtain a universal set of interaction parameters of the model NRTL over the temperature range 10 - 100 °C for hexane-butanol-water system; meaning for binary pairs hexane-butanol, butanol-water and hexane-water; and for ternary system hexane-butanol-water. Thorough investigations of data selections for all binary pairs (Vapor-Liquid Equilibrium (VLE), Liquid-Liquid Equilibrium (LLE)), infinite dilution activity coefficient (γ∞), infinite dilution distribution coefficient (Dsw), excess enthalpy (HE), and for ternary system (LLE of hexane-butanol-water) were carried out. Finally quadratic temperature dependent interaction parameters were estimated regressing all the mentioned data and in each case calculated results were compared with literature values. The comparisons showed an overall percentage of error within 15% for the mentioned phase equilibrium calculations.
The objective of this study is to investigate the change in partition coefficient with a change in the concentration of the solute in a liquid system consisting of two relatively immiscible solvents. To investigate the changes in the partition coefficients, the data of the partition coefficients at infinite dilution and the ternary Liquid-Liquid Equilibrium (LLE) data at finite concentrations of the solute should be consistent. In this study, 29 ternary systems that are found in literature and for which the partition coefficients at infinite dilution and the ternary LLE data cannot be predicted accurately by the universal quasi-chemical (UNIQUAC) model are identified. On the basis of this model, some consistent and inconsistent ternary systems are introduced. Three inconsistent systems, namely hexane-butanol-water, CCl4 (carbon tetrachloride)-PA (propanoic acid)-water, and hexane-PA-water, are chosen for detailed analysis in this study. The UNIQUAC activity coefficient model is used to represent these data over a range of concentrations. The results show large errors, exhibiting the inability of this model to correlate the data. Furthermore, some ternary systems in which cross behavior of solutes between two phases observed are identified.