About: Thermodynamics of CO2 adsorption on functionalized SBA-15 silica. NLDFT analysis of surface energetic heterogeneity

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About: Thermodynamics of CO2 adsorption on functionalized SBA-15 silica. NLDFT analysis of surface energetic heterogeneity Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	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. 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. (en)
Title	Thermodynamics of CO2 adsorption on functionalized SBA-15 silica. NLDFT analysis of surface energetic heterogeneity Thermodynamics of CO2 adsorption on functionalized SBA-15 silica. NLDFT analysis of surface energetic heterogeneity (en)
skos:prefLabel	Thermodynamics of CO2 adsorption on functionalized SBA-15 silica. NLDFT analysis of surface energetic heterogeneity Thermodynamics of CO2 adsorption on functionalized SBA-15 silica. NLDFT analysis of surface energetic heterogeneity (en)
skos:notation	RIV/61388955:_____/11:00361669!RIV12-GA0-61388955
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/08/0604), Z(AV0Z40400503)
http://linked.open...iv/cisloPeriodika	34
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Zukal, Arnošt Mayerová, Jana Čejka, Jiří
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	235222
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/11:00361669
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	thermodynamics; CO2 adsorption; SBA-15 silica (en)
http://linked.open.../riv/klicoveSlovo	CO2 adsorption thermodynamics SBA-15 silica
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[E65ECF696540]
http://linked.open...i/riv/nazevZdroje	Physical Chemistry Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Advanced molecular sieves for capture and storage of CO2 and H2
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	13
http://linked.open...iv/tvurceVysledku	Mayerová, Jana Zukal, Arnošt Čejka, Jiří Jagiello, J.
http://linked.open...ain/vavai/riv/wos	000293900400012
http://linked.open...n/vavai/riv/zamer	Struktura, reaktivita a dynamika molekulárních a biomolekulárních systémů: teorie, experiment, aplikace
issn	1463-9076
number of pages	8 (xsd:int)
http://bibframe.org/vocab/doi	10.1039/C1CP20943D

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