Dynamical compartments in stirred tank reactors and Markov state modeling for mixing quantification: a transfer operator approach
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| Main Authors: | , , , , , , |
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| Format: | Preprint |
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2026
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| _version_ | 1866911515641118720 |
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| author | Klünker, Anna Thai, Thanh Tung Steuwe, Eike Weiland, Christian Schade, Yvonne von Kameke, Alexandra Padberg-Gehle, Kathrin |
| author_facet | Klünker, Anna Thai, Thanh Tung Steuwe, Eike Weiland, Christian Schade, Yvonne von Kameke, Alexandra Padberg-Gehle, Kathrin |
| contents | Identifying coherent flow structures in chemical reactors is crucial for understanding the mixing dynamics, which is essential for optimizing reactor performance. We demonstrate the use of a transfer operator method to find coherent flow structures such as almost-invariant sets and coherent sets, which are characterized by minimal mixing with the surrounding fluid, in a lab-scaled stirred tank reactor using both simulated and experimental Lagrangian trajectory data. The proposed method further enables a detailed analysis of the mixing behavior by computing expected residence times and mixing times. Additionally, a Markov-state-model describes the macroscopic transport dynamics between compartments in the reactor. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2603_13996 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Dynamical compartments in stirred tank reactors and Markov state modeling for mixing quantification: a transfer operator approach Klünker, Anna Thai, Thanh Tung Steuwe, Eike Weiland, Christian Schade, Yvonne von Kameke, Alexandra Padberg-Gehle, Kathrin Fluid Dynamics Dynamical Systems Identifying coherent flow structures in chemical reactors is crucial for understanding the mixing dynamics, which is essential for optimizing reactor performance. We demonstrate the use of a transfer operator method to find coherent flow structures such as almost-invariant sets and coherent sets, which are characterized by minimal mixing with the surrounding fluid, in a lab-scaled stirred tank reactor using both simulated and experimental Lagrangian trajectory data. The proposed method further enables a detailed analysis of the mixing behavior by computing expected residence times and mixing times. Additionally, a Markov-state-model describes the macroscopic transport dynamics between compartments in the reactor. |
| title | Dynamical compartments in stirred tank reactors and Markov state modeling for mixing quantification: a transfer operator approach |
| topic | Fluid Dynamics Dynamical Systems |
| url | https://arxiv.org/abs/2603.13996 |