About: Experimental and theoretical determination of adsorption heats of CO2 over alkali metal exchanged ferrierites with different Si/Al ratio

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	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. 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. (en)
Title	Experimental and theoretical determination of adsorption heats of CO2 over alkali metal exchanged ferrierites with different Si/Al ratio Experimental and theoretical determination of adsorption heats of CO2 over alkali metal exchanged ferrierites with different Si/Al ratio (en)
skos:prefLabel	Experimental and theoretical determination of adsorption heats of CO2 over alkali metal exchanged ferrierites with different Si/Al ratio Experimental and theoretical determination of adsorption heats of CO2 over alkali metal exchanged ferrierites with different Si/Al ratio (en)
skos:notation	RIV/61388955:_____/10:00343891!RIV11-GA0-61388955
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/08/0604), P(GA203/09/0143), P(LC512), Z(AV0Z40400503), Z(AV0Z40550506), Z(MSM0021620835)
http://linked.open...iv/cisloPeriodika	24
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Zukal, Arnošt 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	258251
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/10:00343891
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	adsorption; CO2; FTIR spectroscopy (en)
http://linked.open.../riv/klicoveSlovo	FTIR spectroscopy CO2 adsorption
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[D32702E68F0A]
http://linked.open...i/riv/nazevZdroje	Physical Chemistry Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...vavai/riv/projekt	Advanced molecular sieves for capture and storage of CO2 and H2 Combined theoretical and experimental investigation of gas-zeolite interaction: adsorption, separation, gas storage Center for biomolecules and complex molecular systems
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	12
http://linked.open...iv/tvurceVysledku	Bludský, Ota Nachtigall, P. Pulido, A. Zukal, Arnošt Čejka, Jiří Rubeš, M. Gil, B.
http://linked.open...ain/vavai/riv/wos	000278588500015
http://linked.open...n/vavai/riv/zamer	Struktura, reaktivita a dynamika molekulárních a biomolekulárních systémů: teorie, experiment, aplikace Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství Fyzika molekulárních, makromolekulárních a biologických systémů
issn	1463-9076
number of pages	10 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Experimental and theoretical determination of adsorption heats of CO2 over alkali metal exchanged ferrierites with different Si/Al ratio

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