Combined volumetric, infrared spectroscopic and theoretical investigation of CO2 adsorption on Na-A zeolite

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F11%3A10099098" target="_blank" >RIV/00216208:11310/11:10099098 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61388955:_____/11:00371375

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.micromeso.2011.03.034" target="_blank" >http://dx.doi.org/10.1016/j.micromeso.2011.03.034</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.micromeso.2011.03.034" target="_blank" >10.1016/j.micromeso.2011.03.034</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Combined volumetric, infrared spectroscopic and theoretical investigation of CO2 adsorption on Na-A zeolite

Popis výsledku v původním jazyce

Adsorption isotherms of carbon dioxide on the Na-A zeolite were measured in the temperature range from 273 to 333 K.Henrys constants and isosteric adsorption heats calculated from the temperature dependence of CO2 isotherms were combined with results ofthe variable temperature IR spectroscopy to obtain a spectroscopic signature of adsorption complexes and corresponding thermodynamic characteristics.The adsorption of CO2 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 CO2 stretching frequency due to adsorption the following model of CO2/Na-A system is proposed: (i) CO2 adsorption complexes formed at a low coverage involves interaction of CO2 with three Na cations in the LTA supercage; they are characterized by the IR band at 2349 cm1.

Název v anglickém jazyce

Combined volumetric, infrared spectroscopic and theoretical investigation of CO2 adsorption on Na-A zeolite

Popis výsledku anglicky

Adsorption isotherms of carbon dioxide on the Na-A zeolite were measured in the temperature range from 273 to 333 K.Henrys constants and isosteric adsorption heats calculated from the temperature dependence of CO2 isotherms were combined with results ofthe variable temperature IR spectroscopy to obtain a spectroscopic signature of adsorption complexes and corresponding thermodynamic characteristics.The adsorption of CO2 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 CO2 stretching frequency due to adsorption the following model of CO2/Na-A system is proposed: (i) CO2 adsorption complexes formed at a low coverage involves interaction of CO2 with three Na cations in the LTA supercage; they are characterized by the IR band at 2349 cm1.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2011

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Microporous and Mesoporous Materials

ISSN

1387-1811

e-ISSN

—

Svazek periodika

146

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

9

Strana od-do

97-105

Kód UT WoS článku

000295769400013

EID výsledku v databázi Scopus

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