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An optimal experimental design framework for fast kinetic model identification based on artificial neural networks

Sangoi, Enrico; Quaglio, Marco; Bezzo, Fabrizio; Galvanin, Federico; (2024) An optimal experimental design framework for fast kinetic model identification based on artificial neural networks. Computers and Chemical Engineering , 187 , Article 108752. 10.1016/j.compchemeng.2024.108752. Green open access

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Abstract

The development of mathematical models to describe reaction kinetics is crucial in process design, control, and optimisation. However, distinguishing between different candidate kinetic models presents a non-trivial challenge. Recent works on this topic introduced an approach that employs artificial neural networks (ANNs) to identify kinetic models. In this paper, the ANNs-based model identification approach is expanded by introducing an optimal experimental design procedure. The performance of the method is evaluated through a case study related to the identification of kinetics in a batch reaction system, where different combinations of experimental design variables and noise level on the measurements are compared to assess their impact on kinetic model identification. The proposed experimental design methodology effectively reduces the number of required experiments while enhancing the artificial neural network's ability to accurately identify the appropriate set of equations defining the kinetic model structure.

Type: Article
Title: An optimal experimental design framework for fast kinetic model identification based on artificial neural networks
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.compchemeng.2024.108752
Publisher version: http://dx.doi.org/10.1016/j.compchemeng.2024.10875...
Language: English
Additional information: © 2024 The Author(s). Published by Elsevier Ltd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/)
Keywords: Model selection, Machine learning, Design of experiments, Evolutionary algorithm, Optimisation
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/10194424
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