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| 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. (en)
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| 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 (en)
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| 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 (en)
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| skos:notation
| - RIV/60461373:22340/14:43895645!RIV15-GA0-22340___
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| http://linked.open...avai/riv/aktivita
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| http://linked.open...avai/riv/aktivity
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| http://linked.open...iv/cisloPeriodika
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| http://linked.open...vai/riv/dodaniDat
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| http://linked.open...aciTvurceVysledku
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| http://linked.open.../riv/druhVysledku
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| http://linked.open...iv/duvernostUdaju
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| http://linked.open...titaPredkladatele
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| http://linked.open...dnocenehoVysledku
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| http://linked.open...ai/riv/idVysledku
| - RIV/60461373:22340/14:43895645
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| http://linked.open...riv/jazykVysledku
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| http://linked.open.../riv/klicovaSlova
| - DiffusionExhaust gas aftertreatmentDiesel oxidation catalystCO and n-decane oxidationMulti-scale modelinga (en)
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| http://linked.open.../riv/klicoveSlovo
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| http://linked.open...odStatuVydavatele
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| http://linked.open...ontrolniKodProRIV
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| http://linked.open...i/riv/nazevZdroje
| - Applied Catalysis B:Environment
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| http://linked.open...in/vavai/riv/obor
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| http://linked.open...ichTvurcuVysledku
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| http://linked.open...cetTvurcuVysledku
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| http://linked.open...vavai/riv/projekt
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| http://linked.open...UplatneniVysledku
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| http://linked.open...v/svazekPeriodika
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| http://linked.open...iv/tvurceVysledku
| - Marek, Miloš
- Novák, Vladimír
- Blanco-García, P.
- Jones, G.
- Dudák, Michal
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| http://linked.open...ain/vavai/riv/wos
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| issn
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| number of pages
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| http://bibframe.org/vocab/doi
| - 10.1016/j.apcatb.2013.12.018
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| http://localhost/t...ganizacniJednotka
| |
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