Design and Evaluation of Ionic Liquids as Novel CO2 Absorbents

This is the final report for project DE-FG26-04NT42122 'Design and Evaluation of Ionic Liquids as Novel CO{sub 2} Absorbents'. The objective of this 'breakthrough concepts' project was to investigate the feasibility of using ionic liquids for post-combustion CO{sub 2} capture and obtain a fundamental understanding of the solubility of CO{sub 2} and other components present in flue gas in ionic liquids. Our plan was to obtain information on how composition and structure of ionic liquid molecules affected solubility and other important physical properties via two major efforts: synthesis and experimental measurements and molecular simulation. We also planned to perform preliminary systems modeling study to assess the economic viability of a process based on ionic liquids. We accomplished all the milestones and tasks specified in the original proposal. Specifically, we carried out extensive quantum and classical atomistic-level simulations of a range of ionic liquids. These calculations provided detailed information on how the chemical composition of ionic liquids affects physical properties. We also learned important factors that govern CO{sub 2} solubility. Using this information, we synthesized or acquired 33 new ionic liquids. Many of these had never been made before. We carried out preliminary tests on all of these compounds, and more extensive tests on those that looked most promising for CO{sub 2} capture. We measured CO{sub 2} solubility in ten of these ionic liquids. Through our efforts, we developed an ionic liquid that has a CO{sub 2} solubility 2.6 times greater than the 'best' ionic liquid available to us at the start of the project. Moreover, we demonstrated that SO{sub 2} is also extremely soluble in ionic liquids, opening up the possibility of using ionic liquids to remove both SO{sub 2} and CO{sub 2} from flue gas. In collaboration with Trimeric Inc., a preliminary systems analysis was conducted and the results used to help identify physical properties that must be optimized to enable ionic liquids to be cost-competitive for CO{sub 2} capture. It was found that increasing the capacity of the ionic liquids for CO{sub 2} would be important, and that doing so could potentially make ionic liquids more effective than conventional amine solvents