OE59 An Electronic Structure Based Understanding of Amine-Carbon Dioxide Interactions for CO2 Capture

Thursday, June 9, 2011: 1:30 PM
Ambassador Ballroom 2 (Detroit Marriott Hotel at the Renaissance Center )
Anita S. Lee, Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA and John R. Kitchin, Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA
The results from this Density Functional Theory (DFT) study of amine CO2 interactions shows that by manipulating the electronegativity of the amine reactant, we can tune the bicarbonate reaction energy. Thus, it may be possible to design molecular amines with more suitable regeneration energies for CO2 capture applications.

Extended Abstracts:

See more of: CO2 Conversion and Capture (II)
See more of: Catalysis, Materials, and Reaction Engineering for Environmental Protection
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