Integrated multiscale methodology for virtual prototyping of porous catalyst

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F11%3A43892085" target="_blank" >RIV/60461373:22340/11:43892085 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1021/ie2003347" target="_blank" >http://dx.doi.org/10.1021/ie2003347</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/ie2003347" target="_blank" >10.1021/ie2003347</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Integrated multiscale methodology for virtual prototyping of porous catalyst

Popis výsledku v původním jazyce

The microstructure of the support determines a key property of porous catalysts-effective diffusivity. Typically, supporting materials with bimodal pore size distribution are used that involve both meso- and macropores. Spatial distribution of active metal crystallites within the porous support then influences reaction rates and conversions. To optimize the catalyst support microstructure and ultimately the whole catalyst, it is necessary to relate quantitatively the morphological features of the porousstructure both to its preparation conditions and to the final transport properties and catalyst performance under reaction conditions. In this paper we demonstrate the application of novel models based on the generalized volume-of-fluid method and 3D digital reconstruction of a porous structure. The procedure includes simulation of porous support formation (virtual packing of primary particles of defined shapes and sizes), drying and crystallization of impregnated metal solution (growth

Název v anglickém jazyce

Integrated multiscale methodology for virtual prototyping of porous catalyst

Popis výsledku anglicky

The microstructure of the support determines a key property of porous catalysts-effective diffusivity. Typically, supporting materials with bimodal pore size distribution are used that involve both meso- and macropores. Spatial distribution of active metal crystallites within the porous support then influences reaction rates and conversions. To optimize the catalyst support microstructure and ultimately the whole catalyst, it is necessary to relate quantitatively the morphological features of the porousstructure both to its preparation conditions and to the final transport properties and catalyst performance under reaction conditions. In this paper we demonstrate the application of novel models based on the generalized volume-of-fluid method and 3D digital reconstruction of a porous structure. The procedure includes simulation of porous support formation (virtual packing of primary particles of defined shapes and sizes), drying and crystallization of impregnated metal solution (growth

Druh

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

CEP obor

CI - Průmyslová chemie a chemické inženýrství

OECD FORD obor

—

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2011

Kód důvěrnosti údajů

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

Název periodika

Industrial &amp; Engineering Chemistry Research

ISSN

0888-5885

e-ISSN

—

Svazek periodika

2011/50

Číslo periodika v rámci svazku

23

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

11

Strana od-do

12904-12914

Kód UT WoS článku

000297445500007

EID výsledku v databázi Scopus

—