Reactor network synthesis of enzymatic cascades using superstructure optimization
Citation Link: https://doi.org/10.15480/882.18820
Publikationstyp
Conference Paper
Date Issued
2026-06-19
Sprache
English
TORE-DOI
Volume
5
Start Page
2176
End Page
2182
Citation
36th European Symposium on Computer Aided Process Engineering, ESCAPE 2026
Contribution to Conference
Publisher DOI
Publisher
PSE Press
While classical heuristics can be applied to decide on the preferred reactor concept for simple reaction schemes, more complex reaction networks require more sophisticated methods, such as the multilevel reactor design approach or superstructure optimization. Based on an analysis of the existing methods a nonlinear programming framework for a superstructure-based reactor network synthesis is presented, emphasizing numerical robustness and flexible network representation without relying on integer decisions. The approach, which is implemented in GAMS, allows for the combination of continuous stirred-tank and cross-flow reactor models. An exemplary application for the classical Van de Vusse reaction is first shown for validation, prior to the application to an enzymatic cascade based on the Weimberg pathway. Assuming fast co-factor regeneration, the performance of the resulting PFR cascade, which can also be interpreted as a sequence of batch reactions, is compared with a commonly applied single batch reactor. The results show that the two-reactor configuration consistently achieves higher product formation by mitigating inhibition effects, demonstrating the potential of reactor network synthesis for complex reaction systems like enzymatic cascades.
DDC Class
660.2: Chemical Engineering
519: Applied Mathematics, Probabilities
Publication version
publishedVersion