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- Title
UNIQUAC INTERACTION PARAMETERS WITH CLOSURE FOR IMIDAZOLIUM BASED IONIC LIQUID SYSTEMS USING GENETIC ALGORITHM.
- Authors
Sahoo, Ranjan Kumar; Banerjee, Tamal; Khanna, Ashok
- Abstract
Ionic liquids (ILs) are being considered as favourable solvents for liquid-liquid extraction. Ternary phase equilibria containing the ionic liquid based systems have been reported in the literature for aromatic-aliphatic-IL as well as aliphatic-alcohol-IL ternary systems. In this work global optimization has been used for the prediction of UNIQUAC interaction parameters for IL based systems. The twin concepts of closure equation and global optimization via Genetic Algorithm (GA) have been benchmarked and tested on 88 aromatic and 28 hydrogen bonding multi-component systems. For the aromatic systems the rmsd values obtained with closure equation are ~20 percent better than without closure equation and ~50 percent better than literature. Similarly for hydrogen bonding systems with closure equation gives ~20 percent better rmsd values than without closure equations with an overall improvement of ~60 percent. After this rigorous testing we have applied this procedure on 29 imidazolium based IL ternary systems. Improvements in rmsds with closure have been ~6 percent better than without closure.
- Subjects
IONIC liquids; SOLVENTS; LIQUIDS; AROMATIC compounds; ALIPHATIC compounds; GENETIC algorithms
- Publication
Canadian Journal of Chemical Engineering, 2007, Vol 85, Issue 6, p833
- ISSN
0008-4034
- Publication type
Article
- DOI
10.1002/cjce.5450850605