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Article

Computational Fluid Dynamics, Transport, and Chemical Kinetics-Based Monolith Catalyst Dimensioning Methodology for Cost-Effective Performance

1
Department of Catalysis and Chemical Reaction Engineering, National Institute of Chemistry, Hajdrihova 19, 1001 Ljubljana, Slovenia
2
Faculty of Chemistry and Chemical Technology, University of Ljubljana, Večna pot 113, 1001 Ljubljana, Slovenia
3
Faculty of Chemistry and Chemical Engineering, University of Maribor, Smetanova ulica 17, 2000 Maribor, Slovenia
4
Faculty of Polymer Technology, Ozare 19, 2380 Slovenj Gradec, Slovenia
*
Author to whom correspondence should be addressed.
Processes 2024, 12(8), 1704; https://doi.org/10.3390/pr12081704
Submission received: 8 July 2024 / Revised: 12 August 2024 / Accepted: 13 August 2024 / Published: 14 August 2024

Abstract

The newly developed computational fluid dynamics, transport, and chemical kinetics-based monolith catalyst dimensioning methodology consists of the following steps: (i) initial calculations, which generate some of the data, e.g., average inlet fluid velocity used in the (ii) computational fluid dynamics (CFD) modelling, which uses the laminar flow interface and the transport of diluted species interface while the user has to provide the kinetics of the reactions; (iii) the model order reduction uses a modified version of the plug flow reactor model and the linear pressure variation model; and (iv) the dimensioning optimization algorithm extracts the optimal monolith catalyst’s channel geometry, which satisfies the user’s performance constraints and reduces material consumption. Therefore, the methodology enables chemical engineers to quickly and efficiently design and dimension monolith catalysts for many different applications in an environmentally friendly way, which enables them to reduce both the material and operating costs while maintaining sufficient catalyst performance and, therefore, achieve its cost-effective performance.
Keywords: computational fluid dynamics; chemical kinetics; monolith catalyst; cost reduction; optimization computational fluid dynamics; chemical kinetics; monolith catalyst; cost reduction; optimization

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MDPI and ACS Style

Voglar, J.; Pavlišič, A.; Likozar, B. Computational Fluid Dynamics, Transport, and Chemical Kinetics-Based Monolith Catalyst Dimensioning Methodology for Cost-Effective Performance. Processes 2024, 12, 1704. https://doi.org/10.3390/pr12081704

AMA Style

Voglar J, Pavlišič A, Likozar B. Computational Fluid Dynamics, Transport, and Chemical Kinetics-Based Monolith Catalyst Dimensioning Methodology for Cost-Effective Performance. Processes. 2024; 12(8):1704. https://doi.org/10.3390/pr12081704

Chicago/Turabian Style

Voglar, Jure, Andraž Pavlišič, and Blaž Likozar. 2024. "Computational Fluid Dynamics, Transport, and Chemical Kinetics-Based Monolith Catalyst Dimensioning Methodology for Cost-Effective Performance" Processes 12, no. 8: 1704. https://doi.org/10.3390/pr12081704

APA Style

Voglar, J., Pavlišič, A., & Likozar, B. (2024). Computational Fluid Dynamics, Transport, and Chemical Kinetics-Based Monolith Catalyst Dimensioning Methodology for Cost-Effective Performance. Processes, 12(8), 1704. https://doi.org/10.3390/pr12081704

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