Extraction of aromatics using green solvents based on ionic liquids

(2005) Extraction of aromatics using green solvents based on ionic liquids. Masters thesis, King Fahd University of Petroleum and Minerals.


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Ionic Liquids have been identified as one of the new classes of solvents that offer opportunities to transform traditional chemical processes into clean, green technologies. Capacity and selectivity at infinite dilution activity coefficients of 1508 ILs have been computed by COSMOtherm for the extraction of toluene from toluene-heptane mixture at 1 atm and 40℃. Some potential ILs are screened computationally for the whole composition range. A good number of ionic liquids are found that display considerably higher capacity and higher selectivity than those of sulfolane which is the most popular solvent in aromatic extraction. A general trend is found in the qualitative relationship between capacity and selectivity- when one is high, the other is low and vice versa. To obtain a good compromise between capacity and selectivity, an attempt is made to tailor new IL based solvents by mixing two suitable ILs in specific proportion. COSMOtherm predicts the behavior of binary IL solvents as ideal, synergistic and anti-synergistic. The synergistic behavior of binary ILs is verified experimentally. The binary mixture of N-butyl-pyridinium and 1-methyl-3-octyl-imidazolium is found to behave synergistically. An excess Gibbs energy model for solutions containing ionic liquids is also proposed in NPT ensemble. The prediction of compressibility factor of restrictive primitive electrolyte by the model is very close to Monte Carlo simulation data. The model also predicts phase diagram of real systems containing ionic liquid solutions reasonably well.

Item Type: Thesis (Masters)
Subjects: Chemical Engineering
Department: College of Chemicals and Materials > Chemical Engineering
Committee Advisor: Hamad, Esam Z.
Committee Members: Al-Baghli, Nadhir A. and Forristal, Ian
Depositing User: Mr. Admin Admin
Date Deposited: 22 Jun 2008 14:06
Last Modified: 01 Nov 2019 14:01
URI: http://eprints.kfupm.edu.sa/id/eprint/10483