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Dynamical compartments in stirred tank reactors and Markov state modeling for mixing quantification: A transfer operator approach
Citation Link: https://doi.org/10.15480/882.18620
Publikationstyp
Journal Article
Date Issued
2026-08-31
Sprache
English
TORE-DOI
Volume
65
Issue
36
Start Page
19301
End Page
19315.
Citation
Industrial & Engineering Chemistry research 65 (36): 19301–19315 (2026)
Publisher DOI
Publisher
American Chemical Society (ACS)
Is Supplemented By
Is New Version of
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.
DDC Class
660.28: Types and Activities in Chemical Plants
Publication version
publishedVersion
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Name
acs.iecr.6c01170.pdf
Type
Main Article
Size
9.26 MB
Format
Adobe PDF