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
The result's identifiers
Result code in 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>
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
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
Original language description
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 -> CuI) and oxidation (OHC, CuI -> 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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
20401 - Chemical engineering (plants, products)
Result continuities
Project
<a href="/en/project/GF23-07137L" target="_blank" >GF23-07137L: Atoms to nanoparticles to atoms - predicting evolving catalyst activity under inherently transient conditions</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemical Engineering Journal
ISSN
1385-8947
e-ISSN
1873-3212
Volume of the periodical
512
Issue of the periodical within the volume
15 May 2025
Country of publishing house
CH - SWITZERLAND
Number of pages
14
Pages from-to
162101
UT code for WoS article
001473768000001
EID of the result in the Scopus database
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