Effective modeling of coupled reaction and transport inside the catalytic filter wall

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F23%3A43926889" target="_blank" >RIV/60461373:22340/23:43926889 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1016/j.cej.2023.141847" target="_blank" >https://doi.org/10.1016/j.cej.2023.141847</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.cej.2023.141847" target="_blank" >10.1016/j.cej.2023.141847</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Effective modeling of coupled reaction and transport inside the catalytic filter wall

Popis výsledku v původním jazyce

A new extension of 1D mathematical model describing diffusion limitation in a catalytic filter wall is proposed. Transport limitations in the flowing gas inside free pores and in the coated catalyst are considered together with a Langmuir–Hinshelwood (LH) reaction kinetics including inhibition effects. Catalytic CO oxidation is investigated as a test reaction both at low and high reactant concentrations. The computed 1D concentration profiles are compared to detailed 3D pore-scale simulations involving the structure of a real filter wall obtained from X-ray tomography (XRT) scans. The best agreement is achieved when both gas-in-pores and intra-catalyst diffusion with LH effectiveness factor are considered in the 1D model. The impact of mass transfer limitations on CO light-off curves is then simulated using a 1D+1D model of the entire monolith filter. The extended model including diffusion limitation in free pores predicts the presence of undesired reactant slip at high flow rates as observed in experiments, which was not possible with the previously published models. © 2023 Elsevier B.V.

Název v anglickém jazyce

Effective modeling of coupled reaction and transport inside the catalytic filter wall

Popis výsledku anglicky

A new extension of 1D mathematical model describing diffusion limitation in a catalytic filter wall is proposed. Transport limitations in the flowing gas inside free pores and in the coated catalyst are considered together with a Langmuir–Hinshelwood (LH) reaction kinetics including inhibition effects. Catalytic CO oxidation is investigated as a test reaction both at low and high reactant concentrations. The computed 1D concentration profiles are compared to detailed 3D pore-scale simulations involving the structure of a real filter wall obtained from X-ray tomography (XRT) scans. The best agreement is achieved when both gas-in-pores and intra-catalyst diffusion with LH effectiveness factor are considered in the 1D model. The impact of mass transfer limitations on CO light-off curves is then simulated using a 1D+1D model of the entire monolith filter. The extended model including diffusion limitation in free pores predicts the presence of undesired reactant slip at high flow rates as observed in experiments, which was not possible with the previously published models. © 2023 Elsevier B.V.

Druh

J_SC - Článek v periodiku v databázi SCOPUS

CEP obor

—

OECD FORD obor

20401 - Chemical engineering (plants, products)

Projekt

<a href="/cs/project/GA22-12227S" target="_blank" >GA22-12227S: Počítačový návrh katalytických filtrů zohledňující vliv zachycených částic</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2023

Kód důvěrnosti údajů

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

Název periodika

Chemical Engineering Journal

ISSN

1385-8947

e-ISSN

—

Svazek periodika

461

Číslo periodika v rámci svazku

02

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

14

Strana od-do

141847

Kód UT WoS článku

—

EID výsledku v databázi Scopus

2-s2.0-85148668135