Title
Data-driven product-process optimization of N-isopropylacrylamide microgel flow-synthesis
Author
Kaven, Luise F. (Rheinisch-Westfälische Technische Hochschule)
Schweidtmann, A.M. (TU Delft ChemE/Product and Process Engineering) 
Keil, Jan (Rheinisch-Westfälische Technische Hochschule)
Israel, Jana (Rheinisch-Westfälische Technische Hochschule)
Wolter, Nadja (DWI-Leibniz Institute for Interactive Materials; Rheinisch-Westfälische Technische Hochschule)
Mitsos, Alexander (Rheinisch-Westfälische Technische Hochschule)
Date
2024
Abstract
Microgels are cross-linked, colloidal polymer networks with great potential for stimuli-response release in drug-delivery applications, as their small size allows them to pass human cell boundaries. For applications with specified requirements regarding size, producing tailored microgels in a continuous flow reactor is advantageous because the microgel properties can be controlled tightly. However, no fully-specified mechanistic models are available for continuous microgel synthesis, as the physical properties of the included components are only studied partly. To address this gap and accelerate tailor-made microgel development, we propose a data-driven optimization in a hardware-in-the-loop approach to efficiently synthesize microgels with defined sizes. We optimize the synthesis regarding conflicting objectives (maximum production efficiency, minimum energy consumption, and the desired microgel radius) by applying Bayesian optimization via the solver “Thompson sampling efficient multi-objective optimization” (TS-EMO). We validate the optimization using the deterministic global solver “McCormick-based Algorithm for mixed-integer Nonlinear Global Optimization” (MAiNGO) and verify three computed Pareto optimal solutions via experiments. The proposed framework can be applied to other desired microgel properties and reactor setups and has the potential of efficient development by minimizing number of experiments and modeling effort needed.
Subject
Bayesian optimization
Flow-chemistry
Microgel synthesis
Product-process optimization
To reference this document use:
http://resolver.tudelft.nl/uuid:882cb88b-5341-45df-ab4f-a8a19fc399f2
DOI
https://doi.org/10.1016/j.cej.2023.147567
Embargo date
2024-07-01
ISSN
1385-8947
Source
Chemical Engineering Journal, 479
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.
Part of collection
Institutional Repository
Document type
journal article
Rights
© 2024 Luise F. Kaven, A.M. Schweidtmann, Jan Keil, Jana Israel, Nadja Wolter, Alexander Mitsos