364303 New Diffusive Intermediates Under Polar Condition for CO2 Adsorption in Silica-Supported Amine Sorbents

Thursday, November 20, 2014: 4:15 PM
313 (Hilton Atlanta)
Kuijun Li1,2,3 and David Mebane1,2,3, (1)Mechanical and Aerospace Department, West Virginia University, Morgantown, WV, (2)National Energy Technology Laboratory, Morgantown, WV, (3)National Energy Technology Laboratory, Pittsburgh, PA

The adsorption process of CO2 on highly loaded, silica-supported, polyethylenimine-impregnated sorbents has been investigated based on a reaction-diffusion model that takes zwitterions as the diffusive intermediate.  Simulation results qualitatively replicate the experimental results under dry conditions. An associated parameter sensitivity and quantum chemistry study shows that the diffusive intermediates control the capacity of CO2 uptake in sorbents but that zwitterions are likely unstable under anhydrous conditions. Based on quantum chemical results, a new model proposes physically-bonded moieties involving water, amines and CO2 as new diffusive intermediates.  The new model will be analyzed and compared with experimental TGA results.

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See more of this Session: Diffusion, Transport and Dynamics in Adsorption Systems
See more of this Group/Topical: Separations Division