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Statements

Subject Item
n2:RIV%2F00216208%3A11310%2F12%3A10123985%21RIV13-GA0-11310___
rdf:type
skos:Concept n10:Vysledek
dcterms: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.
dcterms: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
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
skos:notation
RIV/00216208:11310/12:10123985!RIV13-GA0-11310___
n10:predkladatel
n11:orjk%3A11310
n3:aktivita
n5:Z n5:P n5:I
n3:aktivity
I, P(GA203/08/0604), P(GA203/09/0143), Z(MSM0021620857)
n3:cisloPeriodika
10
n3:dodaniDat
n9:2013
n3:domaciTvurceVysledku
n14:8634742 n14:1747681
n3:druhVysledku
n13:J
n3:duvernostUdaju
n4:S
n3:entitaPredkladatele
n21:predkladatel
n3:idSjednocenehoVysledku
128739
n3:idVysledku
RIV/00216208:11310/12:10123985
n3:jazykVysledku
n17:eng
n3:klicovaSlova
density functional theory; carbon dioxide; adsorption
n3:klicoveSlovo
n7:density%20functional%20theory n7:carbon%20dioxide n7:adsorption
n3:kodStatuVydavatele
DE - Spolková republika Německo
n3:kontrolniKodProRIV
[4BB95AB84895]
n3:nazevZdroje
ChemSusChem
n3:obor
n20:CF
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
6
n3:projekt
n8:GA203%2F09%2F0143 n8:GA203%2F08%2F0604
n3:rokUplatneniVysledku
n9:2012
n3:svazekPeriodika
5
n3:tvurceVysledku
Nachtigall, Petr Grajciar, Lukáš Palomino, Gemma Turnes Čejka, Jiří Zukal, Arnošt Areán, Carlos Otero
n3:wos
000310074200018
n3:zamer
n15:MSM0021620857
s:issn
1864-5631
s:numberOfPages
12
n18:doi
10.1002/cssc.201200270
n19:organizacniJednotka
11310