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Thermodynamics of CO2 adsorption on functionalized SBA-15 silica. NLDFT analysis of surface energetic heterogeneity
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SYSNO ASEP 0361669 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Thermodynamics of CO2 adsorption on functionalized SBA-15 silica. NLDFT analysis of surface energetic heterogeneity Tvůrce(i) Zukal, Arnošt (UFCH-W) RID
Jagiello, J. (US)
Mayerová, Jana (UFCH-W)
Čejka, Jiří (UFCH-W) RID, ORCID, SAIZdroj.dok. Physical Chemistry Chemical Physics. - : Royal Society of Chemistry - ISSN 1463-9076
Roč. 13, č. 34 (2011), s. 15468-15475Poč.str. 8 s. Jazyk dok. eng - angličtina Země vyd. GB - Velká Británie Klíč. slova thermodynamics ; CO2 adsorption ; SBA-15 silica Vědní obor RIV CF - Fyzikální chemie a teoretická chemie CEP GA203/08/0604 GA ČR - Grantová agentura ČR CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000293900400012 DOI 10.1039/C1CP20943D Anotace Siliceous SBA-15 mesoporous molecular sieves were functionalized with different amounts of 3-aminopropyl-trimethoxysilane. To obtain a more detailed insight into the material properties of the prepared samples, their textural parameters were combined with results of thermal analysis. Adsorption isotherms of carbon dioxide on parent and functionalized SBA-15 were measured in the temperature range from 273 to 333 K. From the temperature dependence of CO2 isotherms the isosteric adsorption heats of CO2 were determined and discussed. Information about the surface energetic heterogeneity caused by tethered 3-aminopropyl groups were obtained from CO2 adsorption energy distributions calculated using the theoretical CO2 adsorption isotherms derived from the non-local density functional theory. The values of isosteric heats and the energy distributions of CO2 adsorption detect highly energetic sites and enabled quantification of their concentrations. Pracoviště Ústav fyzikální chemie J.Heyrovského Kontakt Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Rok sběru 2012
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