Porous metal-organic frameworks (MOFs) and other related porous framework materials are promising candidates for gas separation. Recently, some flexible MOFs were found to exhibit interesting gas separation properties. Rational design of new flexible framework materials targeting for this application requires fundamental mechanistic understanding of the gas-framework interaction and the nature of the framework flexibility. In this talk, I will present our recent work on using computational modeling and experimental techniques to understand the gas adsorption in several newly developed flexible porous framework materials. I will discuss the gas adsorption energetics and interaction mechanisms in these materials. The insights obtained from our studies provide important guidance for the development of new flexible framework materials aiming for improved gas separation and capture properties.

Flexible metal-organic frameworks for gas separation: A mechanistic investigation

256th National Meeting (2018)

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