About: Controlling the Adsorption Enthalpy of CO2 in Zeolites by Framework Topology and Composition

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Zeolites are often investigated as potential adsorbents for CO2 adsorption and separation. Depending on the zeolite topology and composition (Si/Al ratio and extra-framework cations), the CO2 adsorption heats at low coverages vary from 20 to 60 kJmol1, and with increasing surface coverage adsorption heats either stay approximately constant or they quickly drop down. Experimental adsorption heats obtained for purely siliceous porous solids and for ion-exchanged zeolites of the structural type MFI, FER, FAU, LTA, TUN, IMF, and -SVR are discussed in light of results of periodic density functional theory calculations corrected for the description of dispersion interactions. Key factors influencing the stability of CO2 adsorption complexes are identified and discussed at the molecular level. A general model for CO2 adsorption in zeolites and related materials is proposed and data reported in literature are evaluated with regard to the proposed model. Zeolites are often investigated as potential adsorbents for CO2 adsorption and separation. Depending on the zeolite topology and composition (Si/Al ratio and extra-framework cations), the CO2 adsorption heats at low coverages vary from 20 to 60 kJmol1, and with increasing surface coverage adsorption heats either stay approximately constant or they quickly drop down. Experimental adsorption heats obtained for purely siliceous porous solids and for ion-exchanged zeolites of the structural type MFI, FER, FAU, LTA, TUN, IMF, and -SVR are discussed in light of results of periodic density functional theory calculations corrected for the description of dispersion interactions. Key factors influencing the stability of CO2 adsorption complexes are identified and discussed at the molecular level. A general model for CO2 adsorption in zeolites and related materials is proposed and data reported in literature are evaluated with regard to the proposed model. (en)
Title	Controlling the Adsorption Enthalpy of CO2 in Zeolites by Framework Topology and Composition Controlling the Adsorption Enthalpy of CO2 in Zeolites by Framework Topology and Composition (en)
skos:prefLabel	Controlling the Adsorption Enthalpy of CO2 in Zeolites by Framework Topology and Composition Controlling the Adsorption Enthalpy of CO2 in Zeolites by Framework Topology and Composition (en)
skos:notation	RIV/00216208:11310/12:10123985!RIV13-GA0-11310___
http://linked.open...avai/riv/aktivita	I P Z
http://linked.open...avai/riv/aktivity	I, P(GA203/08/0604), P(GA203/09/0143), Z(MSM0021620857)
http://linked.open...iv/cisloPeriodika	10
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Nachtigall, Petr Grajciar, Lukáš
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	Univerzita Karlova v Praze / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	128739
http://linked.open...ai/riv/idVysledku	RIV/00216208:11310/12:10123985
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	density functional theory; carbon dioxide; adsorption (en)
http://linked.open.../riv/klicoveSlovo	adsorption carbon dioxide density functional theory
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[4BB95AB84895]
http://linked.open...i/riv/nazevZdroje	ChemSusChem
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (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	2012
http://linked.open...v/svazekPeriodika	5
http://linked.open...iv/tvurceVysledku	Grajciar, Lukáš Nachtigall, Petr Zukal, Arnošt Čejka, Jiří Areán, Carlos Otero Palomino, Gemma Turnes
http://linked.open...ain/vavai/riv/wos	000310074200018
http://linked.open...n/vavai/riv/zamer	Nové molekulární systémy pro pokročilé aplikace prospěšné pro zdraví a šetrné k životnímu prostředí
issn	1864-5631
number of pages	12 (xsd:int)
http://bibframe.org/vocab/doi	10.1002/cssc.201200270
http://localhost/t...ganizacniJednotka	11310

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