Tuesday, 1 November 2005 - 9:10 AM
167e
Computational Screening of Ionic Liquids for Aromatic Extraction Using Cosmo-Rs
K. Z. Sumon and Esam Z. Hamad. King Fahd University of Petroleum and Minerals, Chemical Engineering Dept, Dhahran, 31261, Saudi Arabia
Ionic liquids are suitable candidates for green extraction processes as they have very low vapor pressure. COSMO-RS, a general and fast method for the prediction of thermophysical data of liquids, is used for the calculation of solution properties of toluene and heptane in more than a thousand ionic liquid solvents. The ionic liquid database contains about thirty anions and fifty cations based mainly on pyrrolidinium, imidazolium and pyridinium. Selectivities and capacities are determined for toluene-heptane separation for all the ionic liquids .Some of the data have been compared with experimental values. Finally some ionic liquids have been recommended for aromatic extraction from aromatic-aliphatic mixture.
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