Simulation of absorption processes in nanoparticle catalysts

  • In this contribution, we present a novel modeling approach for mass transport problems that connects the microscale with the macroscale. It is based on a proper investigation of the diffusion process in the catalytic pellets from which, after semi-analytic considerations, a source term for the macroscopic advection-diffusion process can be identified. For the special case of a spherical catalyst pellet, the parabolic partial differential equation at the microscale can be reduced to a single ordinary differential equation in time through the proposed semi-analytic approach. After the presentation of our model, we show results for its calibration against the macroscopic response of a mass transport experiment. Based thereon, the effective diffusion parameters of the catalyst pellet can be identified. Furthermore, we test the model's robustness by applying significant noise to virtual experimental datasets.

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Author:Maximilian KöhlerORCiDGND, Philipp JunkerORCiDGND, Daniel BalzaniORCiDGND
Parent Title (English):Proceedings in applied mathematics & mechanics
Place of publication:Weinheim
Document Type:Article
Date of Publication (online):2024/03/11
Date of first Publication:2021/01/25
Publishing Institution:Ruhr-Universität Bochum, Universitätsbibliothek
Issue:1, Artikel e202000076
First Page:e202000076-1
Last Page:e202000076-3
Dieser Beitrag ist auf Grund des DEAL-Wiley-Vertrages frei zugänglich.
Institutes/Facilities:Lehrstuhl für Mechanik - Kontinuumsmechanik
Dewey Decimal Classification:Technik, Medizin, angewandte Wissenschaften / Ingenieurbau, Umwelttechnik
open_access (DINI-Set):open_access
faculties:Fakultät für Bau- und Umweltingenieurwissenschaften
Licence (English):License LogoCreative Commons - CC BY 4.0 - Attribution 4.0 International