The Nature of Chemisorbed CO2 in Zeolite A

23 April 2019, Version 2
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Formation of CO32- and HCO3- species without participation of the framework oxygen atoms upon chemisorption of CO2 in zeolite |Na12|-A is revealed. The transfer of O and H atoms is very likely to have proceeded via the involvement of residual H2O or acid groups. A combined study by solid-state 13C MAS NMR, quantum chemical calculations, and in situ IR spectroscopy showed that the chemisorption mainly occurred by the formation of HCO3-. However, at a low surface coverage of physisorbed and acidic CO2, a significant fraction of the HCO3- was deprotonated and transformed into CO32-. We expect that similar chemisorption of CO2 would occur for low-silica zeolites and other basic silicates of interest for the capture of CO2 from gas mixtures.

Keywords

Zeolites
Chemisorption
CO2 capture and storage (CCS)
Adsorption
Bicarbonates
Carbonates
NMR
DFT

Supplementary materials

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Description
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