A simple analytical equation to assess the probe effect on Spaci-MS data: Computational and experimental validation for the redox kinetics of low-T NH3-SCR over a Cu-CHA monolith catalyst

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F25%3A43932104" target="_blank" >RIV/60461373:22340/25:43932104 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1016/j.cej.2025.162101" target="_blank" >https://doi.org/10.1016/j.cej.2025.162101</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.cej.2025.162101" target="_blank" >10.1016/j.cej.2025.162101</a>

Jazyk výsledku

angličtina

Název v původním jazyce

A simple analytical equation to assess the probe effect on Spaci-MS data: Computational and experimental validation for the redox kinetics of low-T NH3-SCR over a Cu-CHA monolith catalyst

Popis výsledku v původním jazyce

Spatially resolved Mass Spectrometry (Spaci-MS) is a powerful tool for the study of chemical processes over honeycomb monolith catalysts, the commercial configuration of catalytic converters for pollutant abatement from combustion exhausts. A limit of this technology lies in the intrinsic perturbation of the measurements caused by the mass spectrometry probe: the insertion of the capillary affects the flow distribution in the probed monolith channel due to the incremented flow resistance, altering the catalyst contact time and thus the measured catalytic activity. In this work, we study the effect of the probe on the spatially resolved low temperature DeNOx activity of a model Cu-CHA NH3-SCR catalyst. Transient tests were performed to calibrate a redox model of the investigated catalyst, incorporating Cu site reduction (RHC, CuII -&gt; CuI) and oxidation (OHC, CuI -&gt; CuII) kinetics. Then, the simulated axial evolution of NO conversion (validated by tests performed in a conventional flow reactor at increasing space velocity) was compared to spatially resolved data obtained in a Spaci-MS rig to capture the effect of the probe. Based on this comparison, a simple analytical formula was developed to directly assess a priori the effect of the diameter, sampling flowrate and eccentricity of the Spaci-MS capillary probe. The equation was successfully validated against both CFD simulations and the experimental NH3-SCR activity data.

Název v anglickém jazyce

A simple analytical equation to assess the probe effect on Spaci-MS data: Computational and experimental validation for the redox kinetics of low-T NH3-SCR over a Cu-CHA monolith catalyst

Popis výsledku anglicky

Spatially resolved Mass Spectrometry (Spaci-MS) is a powerful tool for the study of chemical processes over honeycomb monolith catalysts, the commercial configuration of catalytic converters for pollutant abatement from combustion exhausts. A limit of this technology lies in the intrinsic perturbation of the measurements caused by the mass spectrometry probe: the insertion of the capillary affects the flow distribution in the probed monolith channel due to the incremented flow resistance, altering the catalyst contact time and thus the measured catalytic activity. In this work, we study the effect of the probe on the spatially resolved low temperature DeNOx activity of a model Cu-CHA NH3-SCR catalyst. Transient tests were performed to calibrate a redox model of the investigated catalyst, incorporating Cu site reduction (RHC, CuII -&gt; CuI) and oxidation (OHC, CuI -&gt; CuII) kinetics. Then, the simulated axial evolution of NO conversion (validated by tests performed in a conventional flow reactor at increasing space velocity) was compared to spatially resolved data obtained in a Spaci-MS rig to capture the effect of the probe. Based on this comparison, a simple analytical formula was developed to directly assess a priori the effect of the diameter, sampling flowrate and eccentricity of the Spaci-MS capillary probe. The equation was successfully validated against both CFD simulations and the experimental NH3-SCR activity data.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20401 - Chemical engineering (plants, products)

Projekt

<a href="/cs/project/GF23-07137L" target="_blank" >GF23-07137L: Od atomů k nanočásticím a zpět k atomům - předpověď vývoje aktivity katalyzátoru v proměnlivých podmínkách</a><br>

Návaznosti

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

Rok uplatnění

2025

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

1873-3212

Svazek periodika

512

Číslo periodika v rámci svazku

15 May 2025

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

14

Strana od-do

162101

Kód UT WoS článku

001473768000001

EID výsledku v databázi Scopus

—