Tuesday, November 6, 2007 - 9:30 AM
156d

Modeling Carbon Dioxide Solubility In Poly(Ionic Liquid)S With Cosmotherm

Karl Johnson, University of Pittsburgh, 1249 Benedum Hall, Department of Chemical Engineering, Pittsburgh, PA 15261, Yang Wang, Chemical Engineering, University of Pittsburgh, 1249 Benedum Hall, Department of Chemical Engineering, Pittsburgh, PA 15261, and Steve R. Lustig, Central Research & Development, The DuPont Company, Experimental Station, Route 141, Wilmington, DE 19880-0356.

Poly(ionic liquid)s (PILs) are solid polymers synthesized by cross-linking ionic liquids. Recent experimental work has shown that PILs have the very high affinity for CO2, much higher than the corresponding ionic liquid monomers. We use COSMOtherm to model the solubility of CO2 in various PILs and their corresponding monomers. We compare different methods of generating the sigma profiles required for the COSMOtherm calculations and compare our results to experiments.