Multiscale modeling of heterogeneous catalysis in porous metal foam structures using particle-based simulation methods
In this work, we investigate and optimize heterogeneous catalysis in porous metal foams. First, we consider the gas dynamics together with the reaction and diffusion processes in individual foam pores on the mesoscale. Second, we condense the detailed simulation results on the mesoscale to relations...
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| フォーマット: | Online |
| 言語: | 英語 |
| 出版事項: |
FAU University Press
2025
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| 主題: | |
| オンライン･アクセス: | ONIX_20250828T094736_9783961472635_5 |
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| _version_ | 1869529595540144128 |
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| author | Mühlbauer, Sebastian J. |
| author_browse | Mühlbauer, Sebastian J. |
| author_facet | Mühlbauer, Sebastian J. |
| author_sort | Mühlbauer, Sebastian J. |
| collection | Directory of Open Access Books |
| description | In this work, we investigate and optimize heterogeneous catalysis in porous metal foams. First, we consider the gas dynamics together with the reaction and diffusion processes in individual foam pores on the mesoscale. Second, we condense the detailed simulation results on the mesoscale to relations between few, dimensionless numbers. Based on these relations, we follow a multiscale approach to derive an efficient, one-dimensional, macroscale model for metal foam filled catalytic converters. Due to its industrial relevance, we focus on the mass transfer limited regime. Finally, we develop a simple recipe to determine optimum pore size configurations. For realistic heat release values, the heat transfer out of the catalytic converter is critical. We show hat, in order to keep temperature fluctuations small, the optimum configuration consists of several, stacked foam segments with decreasing pore size along the main flow direction. For typical parameters, we observe that, compared to foam with constant pore size, the trade-off between chemical conversion and flow resistance can be increased significantly, while the required reactive surface area, i.e., the needed amount of catalytic material, is reduced substantially. |
| format | Online |
| id | doab-20.500.12854ir-166262 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2025 |
| publishDateRange | 2025 |
| publishDateSort | 2025 |
| publisher | FAU University Press |
| publisherStr | FAU University Press |
| record_format | ojs |
| spelling | doab-20.500.12854ir-1662622025-10-16T12:57:31Z Multiscale modeling of heterogeneous catalysis in porous metal foam structures using particle-based simulation methods Mühlbauer, Sebastian J. heterogeneous catalysis porous media computational fluid dynamics multiscale metal foam mass transfer optimization thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TD Industrial chemistry and manufacturing technologies::TDC Industrial chemistry and chemical engineering::TDCX Process engineering technology and techniques In this work, we investigate and optimize heterogeneous catalysis in porous metal foams. First, we consider the gas dynamics together with the reaction and diffusion processes in individual foam pores on the mesoscale. Second, we condense the detailed simulation results on the mesoscale to relations between few, dimensionless numbers. Based on these relations, we follow a multiscale approach to derive an efficient, one-dimensional, macroscale model for metal foam filled catalytic converters. Due to its industrial relevance, we focus on the mass transfer limited regime. Finally, we develop a simple recipe to determine optimum pore size configurations. For realistic heat release values, the heat transfer out of the catalytic converter is critical. We show hat, in order to keep temperature fluctuations small, the optimum configuration consists of several, stacked foam segments with decreasing pore size along the main flow direction. For typical parameters, we observe that, compared to foam with constant pore size, the trade-off between chemical conversion and flow resistance can be increased significantly, while the required reactive surface area, i.e., the needed amount of catalytic material, is reduced substantially. 2025-08-29T05:07:21Z 2025-08-29T05:07:21Z 2025-08-28T07:58:24Z 2020 book ONIX_20250828T094736_9783961472635_5 https://library.oapen.org/handle/20.500.12657/105761 9783961472635 9783961472628 https://directory.doabooks.org/handle/20.500.12854/166262 eng FAU Forschungen : Reihe B open access image/jpeg image/jpeg n/a n/a https://library.oapen.org/bitstream/20.500.12657/105761/1/9783961472635.pdf https://library.oapen.org/bitstream/20.500.12657/105761/1/9783961472635.pdf FAU University Press 10.25593/978-3-96147-263-5 10.25593/978-3-96147-263-5 2c600dea-eece-4066-87be-da335e323fdb 9783961472635 9783961472628 AG Universitätsverlage 90 Erlangen open access |
| spellingShingle | heterogeneous catalysis porous media computational fluid dynamics multiscale metal foam mass transfer optimization thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TD Industrial chemistry and manufacturing technologies::TDC Industrial chemistry and chemical engineering::TDCX Process engineering technology and techniques Mühlbauer, Sebastian J. Multiscale modeling of heterogeneous catalysis in porous metal foam structures using particle-based simulation methods |
| title | Multiscale modeling of heterogeneous catalysis in porous metal foam structures using particle-based simulation methods |
| title_full | Multiscale modeling of heterogeneous catalysis in porous metal foam structures using particle-based simulation methods |
| title_fullStr | Multiscale modeling of heterogeneous catalysis in porous metal foam structures using particle-based simulation methods |
| title_full_unstemmed | Multiscale modeling of heterogeneous catalysis in porous metal foam structures using particle-based simulation methods |
| title_short | Multiscale modeling of heterogeneous catalysis in porous metal foam structures using particle-based simulation methods |
| title_sort | multiscale modeling of heterogeneous catalysis in porous metal foam structures using particle based simulation methods |
| topic | heterogeneous catalysis porous media computational fluid dynamics multiscale metal foam mass transfer optimization thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TD Industrial chemistry and manufacturing technologies::TDC Industrial chemistry and chemical engineering::TDCX Process engineering technology and techniques |
| topic_facet | heterogeneous catalysis porous media computational fluid dynamics multiscale metal foam mass transfer optimization thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TD Industrial chemistry and manufacturing technologies::TDC Industrial chemistry and chemical engineering::TDCX Process engineering technology and techniques |
| url | ONIX_20250828T094736_9783961472635_5 |
| work_keys_str_mv | AT muhlbauersebastianj multiscalemodelingofheterogeneouscatalysisinporousmetalfoamstructuresusingparticlebasedsimulationmethods |