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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F06%3A00043558%21RIV07-AV0-61388963
rdf:type
skos:Concept n17:Vysledek
dcterms:description
Interakce mezi molekulárním vodíkem a zeolitem Li-FER byla studována za nízkých teplot pomocí VTIR spektroskopie a pomocí periodického DFT modelu. Tři různé typy mimomřížkových kationtů Li+ byly nalezeny z hlediska interakce s molekulárním vodíkem. Dva z těchto typů jsou schopny adsorbovat molekulární vodík. Vypočtené a experimentální enthalpie jsou v dobré shodě: .delta.H0 = -4.1 (+/-0.8) kJ/mol. The interaction, at a low temperature, between molecular hydrogen and the zeolite Li-FER was studied by means of variable-temperature infrared spectroscopy and theoretical calculations using a periodic DFT model. Three different Li+ site types with respect to H2 adsorption were found in the zeolite, two of which adsorb dihydrogen. Calculations showed a similar interaction energy for these two sites, which was found to agree with the experimentally determined value of standard adsorption enthalpy: .delta.H0 = -4.1 (+/-0.8) kJ/mol. The interaction, at a low temperature, between molecular hydrogen and the zeolite Li-FER was studied by means of variable-temperature infrared spectroscopy and theoretical calculations using a periodic DFT model. Three different Li+ site types with respect to H2 adsorption were found in the zeolite, two of which adsorb dihydrogen. Calculations showed a similar interaction energy for these two sites, which was found to agree with the experimentally determined value of standard adsorption enthalpy: .delta.H0 = -4.1 (+/-0.8) kJ/mol.
dcterms:title
FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER FTIR a teoretická studie adsorbce vodíku na Li-FER zeolitu
skos:prefLabel
FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER FTIR a teoretická studie adsorbce vodíku na Li-FER zeolitu FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER
skos:notation
RIV/61388963:_____/06:00043558!RIV07-AV0-61388963
n4:strany
2286;2292
n4:aktivita
n7:P n7:Z
n4:aktivity
P(GA203/06/0324), P(LC512), Z(AV0Z40550506)
n4:cisloPeriodika
19
n4:dodaniDat
n14:2007
n4:domaciTvurceVysledku
n11:9831339 n11:1747681
n4:druhVysledku
n10:J
n4:duvernostUdaju
n16:S
n4:entitaPredkladatele
n12:predkladatel
n4:idSjednocenehoVysledku
476428
n4:idVysledku
RIV/61388963:_____/06:00043558
n4:jazykVysledku
n9:eng
n4:klicovaSlova
adsorption; hydrogen storage; spectroscopy
n4:klicoveSlovo
n8:spectroscopy n8:hydrogen%20storage n8:adsorption
n4:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n4:kontrolniKodProRIV
[F982055AC2A4]
n4:nazevZdroje
Physical Chemistry Chemical Physics
n4:obor
n15:CF
n4:pocetDomacichTvurcuVysledku
2
n4:pocetTvurcuVysledku
6
n4:projekt
n6:LC512 n6:GA203%2F06%2F0324
n4:rokUplatneniVysledku
n14:2006
n4:svazekPeriodika
8
n4:tvurceVysledku
Delgado, M. R. Garrone, E. Palomino, G. T. Nachtigallová, Dana Nachtigall, Petr Areán, C. O.
n4:zamer
n18:AV0Z40550506
s:issn
1463-9076
s:numberOfPages
7