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Statements

Subject Item
n2:RIV%2F60461373%3A22340%2F14%3A43895645%21RIV15-GA0-22340___
rdf:type
skos:Concept n19:Vysledek
rdfs:seeAlso
http://dx.doi.org/10.1016/j.apcatb.2013.12.018
dcterms:description
The conversion in monolith reactors for automotive exhaust gas aftertreatment can be limited by dif-fusion in the catalytic layer. This is particularly important for monolith reactors with multiple coatedlayers. In this paper, we present detailed modeling methodology for prediction of effective diffusivitybased on the actual structure of a porous coating (particle and pore size distributions). We demonstratethe approach on diffusion and oxidation of n-decane and CO in Pt/-Al2O3layers typically used in dieseloxidation catalysts. To validate the model predictions experimentally, several layers were coated withuniform thickness on flat metal foils, and their macroporous structure was controlled by alumina particlesize distribution, pore templates and compaction techniques. A multi-scale modelling approach was thenapplied to predict effective diffusivity and impact of the internal diffusion limitations on the achieved con-versions. Diffusion of CO and n-decane was simulated on a micro-scale together with oxidation reactionsin a 3D digitally reconstructed porous layer structure. The results were combined with a macroscopic1D plug-flow model to calculate the reactor outlet conversions. Good agreement was achieved betweenthe predicted and the measured conversions both for n-decane and CO oxidation. The predicted effectivediffusion coefficients Deffthrough the tested Pt/-Al2O3layers were 1.4, 3.6 and 6.4 x 10?6m2s?1forCO at T = 298 K in compact, standard and macropore-templated sample, respectively. The correspondingdiffusivities for n-decane were 0.53, 1.2 and 2.0 x 10?6m2s?1, respectively. The model quantified rela-tive contributions of volume and Knudsen diffusion regimes to overall transport as well as temperaturedependence of Deff. The conversion in monolith reactors for automotive exhaust gas aftertreatment can be limited by dif-fusion in the catalytic layer. This is particularly important for monolith reactors with multiple coatedlayers. In this paper, we present detailed modeling methodology for prediction of effective diffusivitybased on the actual structure of a porous coating (particle and pore size distributions). We demonstratethe approach on diffusion and oxidation of n-decane and CO in Pt/-Al2O3layers typically used in dieseloxidation catalysts. To validate the model predictions experimentally, several layers were coated withuniform thickness on flat metal foils, and their macroporous structure was controlled by alumina particlesize distribution, pore templates and compaction techniques. A multi-scale modelling approach was thenapplied to predict effective diffusivity and impact of the internal diffusion limitations on the achieved con-versions. Diffusion of CO and n-decane was simulated on a micro-scale together with oxidation reactionsin a 3D digitally reconstructed porous layer structure. The results were combined with a macroscopic1D plug-flow model to calculate the reactor outlet conversions. Good agreement was achieved betweenthe predicted and the measured conversions both for n-decane and CO oxidation. The predicted effectivediffusion coefficients Deffthrough the tested Pt/-Al2O3layers were 1.4, 3.6 and 6.4 x 10?6m2s?1forCO at T = 298 K in compact, standard and macropore-templated sample, respectively. The correspondingdiffusivities for n-decane were 0.53, 1.2 and 2.0 x 10?6m2s?1, respectively. The model quantified rela-tive contributions of volume and Knudsen diffusion regimes to overall transport as well as temperaturedependence of Deff.
dcterms:title
Prediction of diffusivity and conversion of n-decane and CO in coatedPt/-Al2O3catalyst depending on porous layer morphology Prediction of diffusivity and conversion of n-decane and CO in coatedPt/-Al2O3catalyst depending on porous layer morphology
skos:prefLabel
Prediction of diffusivity and conversion of n-decane and CO in coatedPt/-Al2O3catalyst depending on porous layer morphology Prediction of diffusivity and conversion of n-decane and CO in coatedPt/-Al2O3catalyst depending on porous layer morphology
skos:notation
RIV/60461373:22340/14:43895645!RIV15-GA0-22340___
n3:aktivita
n11:S n11:P
n3:aktivity
P(GAP106/10/1568), S
n3:cisloPeriodika
květen
n3:dodaniDat
n18:2015
n3:domaciTvurceVysledku
n16:3731308 n16:4292367 n16:7562756
n3:druhVysledku
n8:J
n3:duvernostUdaju
n7:S
n3:entitaPredkladatele
n15:predkladatel
n3:idSjednocenehoVysledku
38747
n3:idVysledku
RIV/60461373:22340/14:43895645
n3:jazykVysledku
n17:eng
n3:klicovaSlova
DiffusionExhaust gas aftertreatmentDiesel oxidation catalystCO and n-decane oxidationMulti-scale modelinga
n3:klicoveSlovo
n14:DiffusionExhaust%20gas%20aftertreatmentDiesel%20oxidation%20catalystCO%20and%20n-decane%20oxidationMulti-scale%20modelinga
n3:kodStatuVydavatele
BE - Belgické království
n3:kontrolniKodProRIV
[5DE354A559BF]
n3:nazevZdroje
Applied Catalysis B:Environment
n3:obor
n12:CI
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
5
n3:projekt
n10:GAP106%2F10%2F1568
n3:rokUplatneniVysledku
n18:2014
n3:svazekPeriodika
150-151
n3:tvurceVysledku
Marek, Miloš Jones, G. Blanco-García, P. Dudák, Michal Novák, Vladimír
n3:wos
000332803700049
s:issn
0926-3373
s:numberOfPages
13
n9:doi
10.1016/j.apcatb.2013.12.018
n13:organizacniJednotka
22340