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Statements

Subject Item
n2:RIV%2F67985858%3A_____%2F10%3A00338991%21RIV11-GA0-67985858
rdf:type
n12:Vysledek skos:Concept
dcterms:description
Adsorption isotherms of methane and nitrogen in porous titanium silicate ETS-4 are calculated using grand canonical Monte Carlo (GCMC) simulations. Self-diffusion coefficients are determined using molecular dynamics (MD) simulations. Properties for pure gases were determined for two of the ideal ETS-4 polymorphs dehydrated at different temperatures, taking into account only the framework atoms of the structure and ignoring the non-framework cations and water molecules. It was observed that equilibrium properties are slightly dependent on the structure selected for idealized polymorphs. Adsorption isotherms of methane and nitrogen in porous titanium silicate ETS-4 are calculated using grand canonical Monte Carlo (GCMC) simulations. Self-diffusion coefficients are determined using molecular dynamics (MD) simulations. Properties for pure gases were determined for two of the ideal ETS-4 polymorphs dehydrated at different temperatures, taking into account only the framework atoms of the structure and ignoring the non-framework cations and water molecules. It was observed that equilibrium properties are slightly dependent on the structure selected for idealized polymorphs.
dcterms:title
A Molecular Simulation Study of Adsorption of Nitrogen and Methane in Titanium Silicate (ETS-4) A Molecular Simulation Study of Adsorption of Nitrogen and Methane in Titanium Silicate (ETS-4)
skos:prefLabel
A Molecular Simulation Study of Adsorption of Nitrogen and Methane in Titanium Silicate (ETS-4) A Molecular Simulation Study of Adsorption of Nitrogen and Methane in Titanium Silicate (ETS-4)
skos:notation
RIV/67985858:_____/10:00338991!RIV11-GA0-67985858
n3:aktivita
n4:Z n4:P
n3:aktivity
P(1ET400720507), P(GA203/08/0094), P(KAN400720701), P(OC10053), Z(AV0Z40720504)
n3:cisloPeriodika
2
n3:dodaniDat
n13:2011
n3:domaciTvurceVysledku
n9:6467873
n3:druhVysledku
n18:J
n3:duvernostUdaju
n7:S
n3:entitaPredkladatele
n17:predkladatel
n3:idSjednocenehoVysledku
244701
n3:idVysledku
RIV/67985858:_____/10:00338991
n3:jazykVysledku
n15:eng
n3:klicovaSlova
adsorption isotherms; grand canonical monte carlo; self diffusion
n3:klicoveSlovo
n10:self%20diffusion n10:adsorption%20isotherms n10:grand%20canonical%20monte%20carlo
n3:kodStatuVydavatele
CZ - Česká republika
n3:kontrolniKodProRIV
[3EC2682420A1]
n3:nazevZdroje
Collection of Czechoslovak Chemical Communications
n3:obor
n6:CF
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
3
n3:projekt
n5:OC10053 n5:1ET400720507 n5:KAN400720701 n5:GA203%2F08%2F0094
n3:rokUplatneniVysledku
n13:2010
n3:svazekPeriodika
75
n3:tvurceVysledku
Lísal, Martin Siperstein, F. R. Brennan, J. K.
n3:wos
000277125800001
n3:zamer
n11:AV0Z40720504
s:issn
0010-0765
s:numberOfPages
20