Geometry optimization of a continuous millireactor via CFD and Bayesian optimization

Computers & Chemical Engineering, vol. 171, pp. 108140

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.

Authors 4

1. Moritz J. Begall Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University, Aachener Verfahrenstechnik – Process Systems Engineering (AVT.SVT), 52074 Aachen, Germany

2. Artur M. Schweidtmann Aachen

   RWTH Aachen University · Delft University of Technology

   Affiliation as printed

   Delft University of Technology, Department of Chemical Engineering, Delft 2629 HZ, The Netherlands

   RWTH Aachen University, Aachener Verfahrenstechnik – Process Systems Engineering (AVT.SVT), 52074 Aachen, Germany

3. Adel Mhamdi Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University, Aachener Verfahrenstechnik – Process Systems Engineering (AVT.SVT), 52074 Aachen, Germany

4. Alexander Mitsos corresponding Aachen

   Forschungszentrum Jülich · RWTH Aachen University

   Affiliation as printed

   Forschungszentrum Jülich GmbH, Institute of Energy & Climate Research IEK-10, 52425 Jülich, Germany

   RWTH Aachen University, Aachener Verfahrenstechnik – Process Systems Engineering (AVT.SVT), 52074 Aachen, Germany