Dynamical compartments in stirred tank reactors and Markov state modeling for mixing quantification: a transfer operator approach

Klünker, AnnaAnnaKlünkerThai, Thanh TungThanh TungThaiSteuwe, EikeEikeSteuweWeiland, ChristianChristianWeilandSchade, YvonneYvonneSchadeKameke, Alexandra vonAlexandra vonKamekePadberg-Gehle, KathrinKathrinPadberg-Gehle2026-06-022026-06-022026-03-14arXiv: 2603.13996 (2026)https://hdl.handle.net/11420/63325Identifying 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.enTechnology::620: EngineeringDynamical compartments in stirred tank reactors and Markov state modeling for mixing quantification: a transfer operator approachPreprint10.48550/arXiv.2603.139962603.1399610.15480/882.16844