Practical Hints on Optimization of UNIQUAC Interaction Parameters

Practical Hints on Optimization of UNIQUAC Interaction Parameters 

Liquid-liquid equilibrium (LEE) data of ternary systems are required for the design of liquid extraction processes. Also, there is a constant need for phase equilibrium data of these systems for simulation and optimize of separation equipment, valuable information about the molecular interactions, macroscopic behavior of fluid ntixtures, and can be used to test and improve thermodynamic models for calculating and predicting fluid-phase equilibria. 

A large amount of investigation has been carried out in recent years on the LLE measurements of ternary systems, in order to understand and provide further information about the phase behavior of such systems (Arce et al., 1995 Briones et al., 1994 Dramur and Tatli, 1993 Garcia-Flores et al., 2001 Ghanadzadeh and Ghanadzadeh, 2002, 2003). 

In this work, the LLE data for the ternary system of (water + 1-hexanol + TBA) at temperatures from (298.15 to 305.15 K) are presented. Here, TBA is used as a solvent in the separation of 1-hexanol from water. Complete phase diagrams are obtained by solubility and tie-line data simultaneously for each temperature. Selectivity values (S) are also determined from the tie-line data to establish the feasibility of the use of these liquid for the separation of (water + 1-hexanol) binary mixture. The experimental LLE data are correlated using the universal quasi-chemical (UNIQUAC). 

All chemicals used in this woik, 1-hexanol and TBA, obtained by Merck witii purities 99% and were used without further purification. The purity of these materials checked by gas chromatography. Deionised water was further distilled before use. 

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