Abstract
The reversible adsorption of CO2 on tetraethylenepentamine (TEPA) and the polyethylene glycol (PEG)-modified amine sites were investigated using attenuated total reflection infrared (ATR-IR) spectroscopy, mass spectrometry (MS), and density functional theory (DFT). The presence of PEG at the amine site increased the rate of formation of adsorbed CO2, enhanced the formation of weakly adsorbed CO2 which can be removed from flowing inert gas at room temperature, and decreased CO2 desorption peak (i.e., sorbent regeneration) temperature. The calculated CO2 binding energy (BE) and optimized structures suggest CO2 adsorbed on TEPA primarily in the form of ammonium carbamate. The presence of PEG promoted the formation of a species which exhibited an experimental IR spectrum resembling the simulated spectrum of a low BE zwitterion species. The observation suggests PEG controlled the formation of the adsorbed intermediate species. Modeling of the transient CO2 adsorption profiles further showed PEG accelerated the...
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