About: Combined volumetric, infrared spectroscopic and theoretical investigation of CO(2) adsorption on Na-A zeolite

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Description	Adsorption isotherms of carbon dioxide on the Na-A zeolite were measured in the temperature range from 273 to 333 K. Henry's constants and isosteric adsorption heats calculated from the temperature dependence of CO(2) isotherms were combined with results of the variable temperature IR spectroscopy to obtain a spectroscopic signature of adsorption complexes and corresponding thermodynamic characteristics. The adsorption of CO(2) in Na-A zeolite was also investigated computationally, using a periodic density functional model improved for the proper description of dispersion interactions. Based on a good agreement between experimental and calculated adsorption heats and shifts of asymmetric CO(2) stretching frequency due to adsorption the following model of CO(2)/Na-A system is proposed: (i) CO(2) adsorption complexes formed at a low coverage involves interaction of CO(2) with three Na(+) cations in the LTA supercage; they are characterized by the IR band at 2349 cm(-1). (ii) CO(2) adsorption complexes at higher coverages are formed between a pair of Na(+) cations; they are characterized by the IR band centered at 2360 cm(-1). Adsorption isotherms of carbon dioxide on the Na-A zeolite were measured in the temperature range from 273 to 333 K. Henry's constants and isosteric adsorption heats calculated from the temperature dependence of CO(2) isotherms were combined with results of the variable temperature IR spectroscopy to obtain a spectroscopic signature of adsorption complexes and corresponding thermodynamic characteristics. The adsorption of CO(2) in Na-A zeolite was also investigated computationally, using a periodic density functional model improved for the proper description of dispersion interactions. Based on a good agreement between experimental and calculated adsorption heats and shifts of asymmetric CO(2) stretching frequency due to adsorption the following model of CO(2)/Na-A system is proposed: (i) CO(2) adsorption complexes formed at a low coverage involves interaction of CO(2) with three Na(+) cations in the LTA supercage; they are characterized by the IR band at 2349 cm(-1). (ii) CO(2) adsorption complexes at higher coverages are formed between a pair of Na(+) cations; they are characterized by the IR band centered at 2360 cm(-1). (en)
Title	Combined volumetric, infrared spectroscopic and theoretical investigation of CO(2) adsorption on Na-A zeolite Combined volumetric, infrared spectroscopic and theoretical investigation of CO(2) adsorption on Na-A zeolite (en)
skos:prefLabel	Combined volumetric, infrared spectroscopic and theoretical investigation of CO(2) adsorption on Na-A zeolite Combined volumetric, infrared spectroscopic and theoretical investigation of CO(2) adsorption on Na-A zeolite (en)
skos:notation	RIV/61388955:_____/11:00371375!RIV12-GA0-61388955
http://linked.open...avai/predkladatel	Ústav fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/08/0604), P(GA203/09/0143), Z(AV0Z40400503), Z(MSM0021620857)
http://linked.open...iv/cisloPeriodika	1-3
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	190895
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/11:00371375
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Na-A-zeolite; carbon dioxide; adsorption (en)
http://linked.open.../riv/klicoveSlovo	Na-A-zeolite adsorption carbon dioxide
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[BCE50B6623E0]
http://linked.open...i/riv/nazevZdroje	Microporous and Mesoporous Materials
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (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
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	146
http://linked.open...iv/tvurceVysledku	Areán, C. O. Delgado, M. R. Mayerová, Jana Nachtigall, P. Pulido, A. Zukal, Arnošt Čejka, Jiří
http://linked.open...ain/vavai/riv/wos	000295769400013
http://linked.open...n/vavai/riv/zamer	Struktura, reaktivita a dynamika molekulárních a biomolekulárních systémů: teorie, experiment, aplikace Nové molekulární systémy pro pokročilé aplikace prospěšné pro zdraví a šetrné k životnímu prostředí
issn	1387-1811
number of pages	9 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.micromeso.2011.03.034
is http://linked.open...avai/riv/vysledek of	Combined volumetric, infrared spectroscopic and theoretical investigation of CO(2) adsorption on Na-A zeolite Combined volumetric, infrared spectroscopic and theoretical investigation of CO(2) adsorption on Na-A zeolite

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