Assessment of data‐driven modeling approaches for chromatographic separation processes
Author(s)
Michalopoulou, Foteini
Papathanasiou, Maria M
Type
Journal Article
Abstract
Chromatographic separation processes are described by nonlinear partial differential and algebraic equations, which may result in high computational cost, hindering further online applications. To decrease the computational burden, different data-driven modeling approaches can be implemented. In this work, we investigate different strategies of data-driven modeling for chromatographic processes, using artificial neural networks to predict pseudo-dynamic elution profiles, without the use of explicit temporal information. We assess the performance of the surrogates trained on different dataset sizes, achieving good predictions with a minimum of 3400 data points. Different activation functions are used and evaluated against the original high-fidelity model, using accuracy, interpolation, and simulation time as performance metrics. Based on these metrics, the best performing data-driven models are implemented in a process optimization framework. The results indicate that data-driven models can capture the nonlinear profile of the process and that can be considered as reliable surrogates used to aid process development.
Date Issued
2024-12
Date Acceptance
2024-08-20
Citation
AIChE Journal, 2024, 70 (12)
ISSN
0001-1541
Publisher
Wiley
Journal / Book Title
AIChE Journal
Volume
70
Issue
12
Copyright Statement
© 2024 The Author(s). AIChE Journal published by Wiley Periodicals LLC on behalf of American Institute of Chemical Engineers.
This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
License URL
Identifier
http://dx.doi.org/10.1002/aic.18600
Publication Status
Published
Article Number
e18600
Date Publish Online
2024-09-10