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Combined FT-IR Spectroscopic and DFT Theoretical Study on Carbon Dioxide Adsorption on the Zeolite H-FER
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SYSNO ASEP 0331337 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Combined FT-IR Spectroscopic and DFT Theoretical Study on Carbon Dioxide Adsorption on the Zeolite H-FER Author(s) Pulido, A. (CZ)
Delgado, M. R. (ES)
Bludský, Ota (UOCHB-X) RID, ORCID
Rubeš, Miroslav (UOCHB-X) RID, ORCID
Nachtigall, Petr (UOCHB-X)
Areán, C. O. (ES)Number of authors 6 Source Title Energy & Environmental Science. - : Royal Society of Chemistry - ISSN 1754-5692
Roč. 2, č. 11 (2009), s. 1187-1195Number of pages 9 s. Language eng - English Country GB - United Kingdom Keywords DFT ; FTIR Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects GA203/09/0143 GA ČR - Czech Science Foundation (CSF) LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000271191100007 DOI 10.1039/b911253g Annotation Adsorption complexes on isolated Si(OH)Al Bronsted acid sites involve an adsorption enthalpy (deltaH0) in the range of -33 to -36 kJ mol-1, about half of which is due to the weak intermolecular interactions between CO2 and zeolite framework. Calculated adsorption enthalpies are in good agreement with the experimentally found value of delta H0 = -30 kJ mol-1. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Year of Publishing 2011
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