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The role of the extra-framework cations in the adsorption of CO2 on faujasite Y
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SYSNO ASEP 0348361 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title The role of the extra-framework cations in the adsorption of CO2 on faujasite Y Author(s) Pirngruber, G. D. (FR)
Raybaud, P. (FR)
Belmabkhout, Y. (FR)
Čejka, Jiří (UFCH-W) RID, ORCID, SAI
Zukal, Arnošt (UFCH-W) RIDSource Title Physical Chemistry Chemical Physics. - : Royal Society of Chemistry - ISSN 1463-9076
Roč. 12, č. 41 (2010), s. 13534-13546Number of pages 13 s. Language eng - English Country GB - United Kingdom Keywords physical chemistry ; adsorption of CO2 ; faujasite Y Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects GA203/08/0604 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000282972400021 DOI 10.1039/B927476F Annotation A purely electrostatic picture predicts that small, more polarizing cations adsorb more strongly than the large ones. In the case of the adsorption of CO2 on faujasite Y, however, the inverse order is found at low pressure: CsY and KY adsorb stronger than NaY and LiY. This trend cannot be explained by a simple monopole–dipole or monopole–quadrupole interaction of CO2 with a single cation. Therefore, we have conducted a combined adsorption, IR and DFT study in order to shed light on this phenomenon. Our results show that a simultaneous interaction of CO2 with the cations (located in the hexagonal window between supercage and sodalite cage) and framework oxygen atoms (in the 12-ring connecting two supercages) can explain the strong adsorption of CO2 on CsY and KY. We also discuss the effect of van der Waals interactions. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2011
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