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3D reconstruction and pore-scale modeling of coated catalytic filters for automotive exhaust gas aftertreatment

Citace:
KOČÍ, P., ISOZ, M., PLACHÁ, M., ARVAJOVÁ, A. B., VÁCLAVÍK, M., SVOBODA, M., PRICE, E., NOVÁK, V., THOMPSETT, D. 3D reconstruction and pore-scale modeling of coated catalytic filters for automotive exhaust gas aftertreatment. CATALYSIS TODAY, 2019, roč. 320, č. JAN 15 2019, s. 165-174. ISSN: 0920-5861
Druh: ČLÁNEK
Jazyk publikace: eng
Anglický název: 3D reconstruction and pore-scale modeling of coated catalytic filters for automotive exhaust gas aftertreatment
Rok vydání: 2019
Autoři: Doc. Ing. Petr Kočí Ph.D. , Martin Isoz , Marie Plachá , Adéla Buzkova Arvajová , Marek Václavík , Ing. Miloš Svoboda Ph.D. , Emily Price , Vladimír Novák , David Thompsett
Abstrakt CZ: Tato publikace prezentuje nově vyvinutou metodologii simulace toku, difuze a reakce na úrovni pórů v katalytických filtrech s aktivní vrstvou. 3D morfologie porézní stěny a aktuální distribuce katalytického materiálu je rekonstruována ze snímků z rentgenové tomografie (XRT) a dále validována pomocí rtuťové porozimetrie (MIP). Rekonstruovaná geometrie je posléze transformována na simulační síť programu OpenFOAM. Tok volnými póry i katalytickou vrstvou je simulován pomocí rešiče SimpleFoam, zatímco námi vyvinutý řešič je použit pro simulaci difuze a reakce jednotlivých složek.
Abstrakt EN: This paper introduces a newly developed methodology for the pore-scale simulation of flow, diffusion and reaction in the coated catalytic filter. 3D morphology of the porous filter wall including the actual distribution of catalytic material is reconstructed from X-ray tomography (XRT) images and further validated with the mercury intrusion porosimetry (MIP). The reconstructed medium is then transformed into simulation mesh for OpenFOAM. Flow through free pores in the substrate as well as through the coated zones is simulated by porous SimpleFoam solver, while an in-house developed solver is used for component diffusion and reactions. Three cordierite filter samples with different distribution of aluminabased coating ranging from in-wall to onwall are examined. Velocity, pressure and component concentration profiles are calculated enabling the prediction of permeability and component conversion depending on the actual microstructure of the wall. The simulation results suggest that the gas predominantly flows through remaining free pores in the filter wall and cracks in the coated layer. The mass transport into the coated domains inside the filter wall is enabled mainly by diffusion. Large domains of compact catalytic coating covering complete channel wall result in a significant increase of pressure drop as the local permeability of the coating is two orders of magnitude smaller than that of bare filter wall.
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