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Type of Document	Master's Thesis
Author	Belveze, Lionel Sebastien
Author's Email Address	lbelveze@nd.edu
URN	etd-02102004-150559
Title	Modeling and Measurement of Thermodynamic Properties of Ionic Liquids
Degree	Master of Science in Chemical Engineering
Department	Chemical Engineering
Advisory Committee	Advisor Name Title Joan F. Brennecke Committee Chair Mark A. Stadtherr Committee Co-Chair Edward J. Maginn Committee Member Mark J. McCready Committee Member
Keywords	Ionic Liquids Octanol/Water Partition Coefficient Activity Coefficients Modeling
Date of Defense	2004-01-23
Availability	unrestricted
Abstract Ionic liquids (ILs) have been studied recently as potential “green” solvents due to their negligible vapor pressure. Modeling and measuring their phase behavior with water and organic solvents is vital for evaluating their many potential uses. As a first step towards modeling the phase behavior of IL solutions, we will show how the electrolyte nonrandom two-liquid model can be applied to model activity coefficients of quaternary ammonium salts (potentially interesting ILs) in water. Results indicate that this model is able to capture the nonideal phase behavior of these salts in aqueous solutions up to relatively high concentrations. A particularly important quantity needed for assessment of environmental impact is the octanol/water partition coefficient, Kow. The measurement of this constant for imidazolium based ILs show they do not bioaccumulate. Finally, we will mention some future work to model the Kow using the NRTL model studied in the first part of the project.
Files	Filename       Size       Approximate Download Time (Hours:Minutes:Seconds)     28.8 Modem   56K Modem   ISDN (64 Kb)   ISDN (128 Kb)   Higher-speed Access    BelvezeL012004.pdf 833.63 Kb 00:03:51 00:01:59 00:01:44 00:00:52 00:00:04