About: Multi-scale modelling of reaction and transport in porous catalysts

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Mathematical models of reaction and transport in porous catalyst on three different scales (nano, micro, and macro) are presented. Methodology is demonstrated on CO oxidation in porous Pt/gamma-Al2O3 catalyst, washcoated on monolith. Morphological characteristics are obtained from TEM and SEM images of the washcoat cross-section. Methods for passing the model results from the bottom to the top level are discussed. On the nano level (I), spatially 3D model of a single meso-porous gamma-Al2O3 particle (approximate to 0.1-1 mu m) is used. Digital reconstruction of porous medium is here based on virtual agglomeration of Al2O3 nanoparticles and consequent deposition of individual Pt crystallites. The model considers the effects of catalytic sites sizes and diffusion in small meso-pores (d approximate to 10 nm). On the micro level (II), spatially 3D model of porous catalytic washcoat (thickness approximate to 30 mu m) is used. Here the reconstruction is based on virtual packing of Pt/gamma-Al2O3 micro-parti Mathematical models of reaction and transport in porous catalyst on three different scales (nano, micro, and macro) are presented. Methodology is demonstrated on CO oxidation in porous Pt/gamma-Al2O3 catalyst, washcoated on monolith. Morphological characteristics are obtained from TEM and SEM images of the washcoat cross-section. Methods for passing the model results from the bottom to the top level are discussed. On the nano level (I), spatially 3D model of a single meso-porous gamma-Al2O3 particle (approximate to 0.1-1 mu m) is used. Digital reconstruction of porous medium is here based on virtual agglomeration of Al2O3 nanoparticles and consequent deposition of individual Pt crystallites. The model considers the effects of catalytic sites sizes and diffusion in small meso-pores (d approximate to 10 nm). On the micro level (II), spatially 3D model of porous catalytic washcoat (thickness approximate to 30 mu m) is used. Here the reconstruction is based on virtual packing of Pt/gamma-Al2O3 micro-parti (en)
Title	Multi-scale modelling of reaction and transport in porous catalysts Multi-scale modelling of reaction and transport in porous catalysts (en)
skos:prefLabel	Multi-scale modelling of reaction and transport in porous catalysts Multi-scale modelling of reaction and transport in porous catalysts (en)
skos:notation	RIV/60461373:22340/10:00023272!RIV11-GA0-22340___
http://linked.open...avai/riv/aktivita	P S Z
http://linked.open...avai/riv/aktivity	P(GP104/06/P301), S, Z(MSM6046137306)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Kubíček, Milan Marek, Miloš Kočí, Petr Štěpánek, František Novák, Vladimír
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Vysoká škola chemicko-technologická v Praze / Fakulta chemicko-inženýrská
http://linked.open...dnocenehoVysledku	273198
http://linked.open...ai/riv/idVysledku	RIV/60461373:22340/10:00023272
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Mathematical modelling; Porous structure; Effective diffusion; Knudsen diffusion; Molecular dynamics; Pore size distribution (en)
http://linked.open.../riv/klicoveSlovo	Molecular dynamics Mathematical modelling Effective diffusion Pore size distribution Porous structure Knudsen diffusion
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[95AA8042513F]
http://linked.open...i/riv/nazevZdroje	Chemical Engineering Science
http://linked.open...in/vavai/riv/obor	CI
http://linked.open...ichTvurcuVysledku	5 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Multi-scale modelling of reactions and transport in structured porous catalysts
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	65
http://linked.open...iv/tvurceVysledku	Kočí, Petr Štěpánek, František Kubíček, Milan Marek, Miloš Novák, Vladimír
http://linked.open...ain/vavai/riv/wos	000276206700062
http://linked.open...n/vavai/riv/zamer	Reakčně-transportní chemicko-inženýrské systémy a jejich dynamické chování, modelování a řízení chemických a biotechnologických procesů
issn	0009-2509
number of pages	8 (xsd:int)
http://localhost/t...ganizacniJednotka	22340

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