Friso, Andrea;
Galvanin, Federico;
(2024)
An optimization-free Fisher information driven approach for online design of experiments.
Computers & Chemical Engineering
, 187
, Article 108724. 10.1016/j.compchemeng.2024.108724.
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Abstract
Developing mathematical models used to elucidate reaction kinetics plays a crucial role in the design, control, and optimization of chemical processes. One of the most challenging tasks in kinetic model identification is the precise estimation of unknown kinetic model parameters. This challenge can be effectively addressed through the application of Model-Based Design of Experiments (MBDoE) techniques, which enable the design of experiments facilitating precise model parameter estimation with minimal runs and analytical resources. Nevertheless, MBDoE techniques rely on an optimization procedure that is susceptible to parametric uncertainty, making the design procedure computationally intensive and prone to issues of local optimality. MBDoE techniques are also employed in online procedures to expedite the identification of kinetic models in autonomous platforms. As a result, ensuring rapid convergence becomes imperative to mitigate numerical issues during operational processes. In this paper a Fisher Information Matrix Driven (FIMD) approach is introduced to tackle these challenges. The methodology integrates a sampling-based experimental design approach with experiment ranking based on FIM to select the most informative experiment at each iteration. The effectiveness of the proposed design methodology is examined and discussed via two different case studies of increasing complexity: a fed-batch reactor in which the fermentation of baker’s yeast is carried out and a nucleophilic aromatic substitution in a flow reactor system.
| Type: | Article |
|---|---|
| Title: | An optimization-free Fisher information driven approach for online design of experiments |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1016/j.compchemeng.2024.108724 |
| Publisher version: | http://dx.doi.org/10.1016/j.compchemeng.2024.10872... |
| Language: | English |
| Additional information: | Copyright © 2024 The Author(s). This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/). |
| Keywords: | Optimal design of experiments, Fisher information |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10192727 |
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