Geometry optimization of a continuous millireactor via CFD and Bayesian optimization

Journal Article (2023)
Author(s)

Moritz J. Begall (RWTH Aachen University)

A.M. Schweidtmanna (TU Delft - ChemE/Product and Process Engineering, RWTH Aachen University)

Adel Mhamdi (RWTH Aachen University)

Alexander Mitsos (RWTH Aachen University, Forschungszentrum Jülich)

Research Group
ChemE/Product and Process Engineering
Copyright
© 2023 Moritz J. Begall, A.M. Schweidtmann, Adel Mhamdi, Alexander Mitsos
DOI related publication
https://doi.org/10.1016/j.compchemeng.2023.108140
More Info
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Publication Year
2023
Language
English
Copyright
© 2023 Moritz J. Begall, A.M. Schweidtmann, Adel Mhamdi, Alexander Mitsos
Research Group
ChemE/Product and Process Engineering
Bibliographical Note
Green Open Access added to TU Delft Institutional Repository ‘You share, we take care!’ – Taverne project https://www.openaccess.nl/en/you-share-we-take-care Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.@en
Volume number
171
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Abstract

Computational Fluid Dynamics (CFD) is a powerful tool which can help with the geometry optimization of continuous milli-scale reactors, which often are highly complex devices. Attempting to perform this optimization by manually modifying and testing geometry configurations can however be tedious and computationally inefficient. Addressing this problem, we present a framework in which the CFD software COMSOL Multiphysics is coupled with the multi-objective Bayesian Optimization algorithm TSEMO (Thompson sampling efficient multiobjective optimization), implemented in MATLAB. The mixing element geometry of a Miprowa Lab millireactor is parameterized, and the framework automatically executes CFD simulations to minimize areas of stagnating flow and maximize the mixing performance. The framework is able to find Pareto-optimal reactor variations, and can easily be adapted for other devices and objectives.

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