Integrated multiscale methodology for virtual prototyping of porous catalyst

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F11%3A43892170" target="_blank" >RIV/60461373:22340/11:43892170 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Integrated multiscale methodology for virtual prototyping of porous catalyst
Original language description
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 of metal nanoparticles), and solution of reaction and transport within the final virtual catalyst structure to obtain volume-averaged reaction rates that are then used in a full-scale model of a catalytic monolith reactor. A parametric study is performed to investigate the effects of the sizes of primary particles (influencing the meso- and macroporosity and pore sizes) and active metal impregnation conditions (influencing the distribution of active catalytic surface area) on the macroscopic activity of a catalytic monolith with Pt/gama-Al2O3 washcoat used for automotive exhaust gas aftertreatment
Czech name
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Czech description
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Project
<a href="/en/project/GD104%2F08%2FH055" target="_blank" >GD104/08/H055: Transport and reaction processes in complex multiphase systems</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)<br>S - Specificky vyzkum na vysokych skolach

Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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