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Statements

Subject Item
n2:RIV%2F60461373%3A22340%2F13%3A43895627%21RIV14-GA0-22340___
rdf:type
skos:Concept n5:Vysledek
dcterms:description
In the case of automotive catalytic converters, the effect of the porous waschcoat structure on effective diffusivity has been already studied with detailed porescale simulation of CO diffusion and oxidation [1]. However, larger molecules are commonly present in the exhaust gas. To properly assess their possible diffusion limitation, n-decane was chosen and tested on catalysts of the Pt/?-Al2O3 type. The major and favourable transport mechanism is volume diffusion (in macropores), therefore only macroporous structure was varied. Transport properties were experimentally studied by performing light-off experiments in a lab-scale reactor. A multi-scale methodology and models for CO diffusion and oxidation were modified and applied on the n-decane oxidation. In a pore-scale, small section of the porous catalyst was reconstructed using discrete element method. Then detailed transport and reaction was modelled in the reconstructed structure treating the diffusion in macropores as volume diffusion, in mesopores as Knudsen diffusion and the oxidation as a global reaction. Average reaction rate through the whole structure was calculated for varied boundary concentration and temperature. Resulting light-off curves were compared with experimental data and another model, which is commonly used in industry. As the studied reactant changed from CO to n-decane, the diffusion limitation in the catalysts increased. The multi-scale model with the detailed pore-scale simulation predicted more accurately experimental light-off curves compared to the industrial standard model. The methodology can be applied also to other species present in the exhaust gas to design optimised automotive catalytic converters with low transport limitation or to evaluate effective diffusion coefficient for other models. In the case of automotive catalytic converters, the effect of the porous waschcoat structure on effective diffusivity has been already studied with detailed porescale simulation of CO diffusion and oxidation [1]. However, larger molecules are commonly present in the exhaust gas. To properly assess their possible diffusion limitation, n-decane was chosen and tested on catalysts of the Pt/?-Al2O3 type. The major and favourable transport mechanism is volume diffusion (in macropores), therefore only macroporous structure was varied. Transport properties were experimentally studied by performing light-off experiments in a lab-scale reactor. A multi-scale methodology and models for CO diffusion and oxidation were modified and applied on the n-decane oxidation. In a pore-scale, small section of the porous catalyst was reconstructed using discrete element method. Then detailed transport and reaction was modelled in the reconstructed structure treating the diffusion in macropores as volume diffusion, in mesopores as Knudsen diffusion and the oxidation as a global reaction. Average reaction rate through the whole structure was calculated for varied boundary concentration and temperature. Resulting light-off curves were compared with experimental data and another model, which is commonly used in industry. As the studied reactant changed from CO to n-decane, the diffusion limitation in the catalysts increased. The multi-scale model with the detailed pore-scale simulation predicted more accurately experimental light-off curves compared to the industrial standard model. The methodology can be applied also to other species present in the exhaust gas to design optimised automotive catalytic converters with low transport limitation or to evaluate effective diffusion coefficient for other models.
dcterms:title
Measurements and multi-scale modelling of n-decane diffusion in coated catalytic layers Measurements and multi-scale modelling of n-decane diffusion in coated catalytic layers
skos:prefLabel
Measurements and multi-scale modelling of n-decane diffusion in coated catalytic layers Measurements and multi-scale modelling of n-decane diffusion in coated catalytic layers
skos:notation
RIV/60461373:22340/13:43895627!RIV14-GA0-22340___
n5:predkladatel
n6:orjk%3A22340
n3:aktivita
n15:S n15:P
n3:aktivity
P(GAP106/10/1568), S
n3:dodaniDat
n17:2014
n3:domaciTvurceVysledku
n9:4292367 n9:4562909 n9:3731308
n3:druhVysledku
n21:D
n3:duvernostUdaju
n11:S
n3:entitaPredkladatele
n4:predkladatel
n3:idSjednocenehoVysledku
86867
n3:idVysledku
RIV/60461373:22340/13:43895627
n3:jazykVysledku
n22:eng
n3:klicovaSlova
light-off curve; n-decane oxidation; automotive catalyst; 3D reconstruction; pore-scale model; multi-scale modelling; effective diffusion coefficient
n3:klicoveSlovo
n8:3D%20reconstruction n8:automotive%20catalyst n8:n-decane%20oxidation n8:multi-scale%20modelling n8:effective%20diffusion%20coefficient n8:pore-scale%20model n8:light-off%20curve
n3:kontrolniKodProRIV
[22D24BAD5313]
n3:mistoKonaniAkce
Tatranské Matliare
n3:mistoVydani
Bratislava
n3:nazevZdroje
Proceedings of the 40th International Conference of Slovak Society of Chemical Engineering
n3:obor
n7:CI
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
3
n3:projekt
n20:GAP106%2F10%2F1568
n3:rokUplatneniVysledku
n17:2013
n3:tvurceVysledku
Kočí, Petr Marek, Miloš Dudák, Michal
n3:typAkce
n19:WRD
n3:zahajeniAkce
2013-05-27+02:00
s:numberOfPages
10
n12:hasPublisher
Slovak Society of Chemical Engineering
n16:isbn
978-80-89475-09-4
n13:organizacniJednotka
22340