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Experimental and theoretical determination of adsorption heats of CO2 over alkali metal exchanged ferrierites with different Si/Al ratio
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SYSNO ASEP 0343891 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Experimental and theoretical determination of adsorption heats of CO2 over alkali metal exchanged ferrierites with different Si/Al ratio Tvůrce(i) Zukal, Arnošt (UFCH-W) RID
Pulido, A. (CZ)
Gil, B. (PL)
Nachtigall, P. (CZ)
Bludský, Ota (UOCHB-X) RID, ORCID
Rubeš, M. (PL)
Čejka, Jiří (UFCH-W) RID, ORCID, SAIZdroj.dok. Physical Chemistry Chemical Physics. - : Royal Society of Chemistry - ISSN 1463-9076
Roč. 12, č. 24 (2010), s. 6413-6422Poč.str. 10 s. Jazyk dok. eng - angličtina Země vyd. GB - Velká Británie Klíč. slova adsorption ; CO2 ; FTIR spectroscopy Vědní obor RIV CF - Fyzikální chemie a teoretická chemie CEP GA203/09/0143 GA ČR - Grantová agentura ČR LC512 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy GA203/08/0604 GA ČR - Grantová agentura ČR CEZ AV0Z40400503 - UFCH-W (2005-2011) AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000278588500015 DOI 10.1039/c001950j Anotace The adsorption of CO2 in Li-, Na-, and K-FER was investigated by a combination of volumetric adsorption experiments, FTIR spectroscopy, and density functional theory. Experimental isosteric heats of CO2, Qst, depend significantly on the cation size, cation concentration, and on the amount of adsorbed CO2. The differences observed in experimentally determined isosteric heats were interpreted at the molecular level based on good agreement between experimental and calculated characteristics. The highest interaction energies were found for CO2 adsorbed on so-called dual cation sites in which CO2 is bridged between two alkali metal cations. The formation of CO2 adsorption complexes on dual cation sites is particularly important on Na-FER and K-FER samples with higher cation concentration. On the contrary, the differences in Qst observed for Li-FER samples are due to the changes in the Li+ coordination with the framework. Pracoviště Ústav fyzikální chemie J.Heyrovského Kontakt Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Rok sběru 2011
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