Multi-scale modelling of reaction and transport in porous catalysts

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F10%3A00023272" target="_blank" >RIV/60461373:22340/10:00023272 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Multi-scale modelling of reaction and transport in porous catalysts

Popis výsledku v původním jazyce

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 anddiffusion 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-A

Název v anglickém jazyce

Multi-scale modelling of reaction and transport in porous catalysts

Popis výsledku anglicky

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 anddiffusion 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-A

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CI - Průmyslová chemie a chemické inženýrství

OECD FORD obor

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Projekt

<a href="/cs/project/GP104%2F06%2FP301" target="_blank" >GP104/06/P301: Víceúrovňové modelování reakcí a transportu ve strukturovaných porésních katalysátorech</a><br>

Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)<br>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2010

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Chemical Engineering Science

ISSN

0009-2509

e-ISSN

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Svazek periodika

65

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

8

Strana od-do

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Kód UT WoS článku

000276206700062

EID výsledku v databázi Scopus

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