Prediction of LLE Data of the Mixture (Hexane+Benzene+Tetrahexylammonium bromide:ethylene glycol) Using COSMO-SAC Model

The removal of aromatic components from naphtha streams is a process that still can be further improved. The main difficulty in this process is the presence of close boiling point and azeotropic mixtures. Several separation processes could be used for this goal. A new generation of solvents called deep eutectic solvents has been reported which show the ability of separating of aromatic/aliphatic mixture. The Deep eutectic solvent selected for this study is composed of ammonium salt. The mole fractions of hexane and benzene are calculated in two phases using COSMO-SAC model and compared with experimental data. The results show a little error indicating the good agreement of calculation and experiments. The COSMO-SAC model is an excellent tool for prediction of thermodynamic properties in liquid phase. The remarkable point of this research work is that, this method needs no interaction parameter to be fitted and no previous information about the physical and chemical properties of materials.

Keywords:

COSMO-SAC , Aliphatic , Aromatic , LLE