This talk will discuss our latest advances in computational studies of ionic liquid-based materials for carbon capture. Experimental verification, whenever available, will be discussed in conjunction with computational insights. Ionic liquids boast high thermal stability, low vapor pressure, and great tunability. They can be deployed as either sorbents or supported liquid membranes for carbon capture and other gas separations. We will discuss both sorption and membrane processes. In addition, composite materials of ionic liquids with other materials such as porous materials will be covered as well.

Ionic liquids for carbon capture: Insights from computation

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ACS Spring 2023

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