Liquid-liquid dispersion performance prediction and uncertainty quantification using recurrent neural networks
Author(s)
Type
Journal Article
Abstract
We demonstrate the application of a recurrent neural network (RNN) to perform multistep and multivariate time-series performance predictions for stirred and static mixers as exemplars of complex multiphase systems. We employ two network architectures in this study, fitted with either long short-term memory and gated recurrent unit cells, which are trained on high-fidelity, three-dimensional, computational fluid dynamics simulations of the mixer performance, in the presence and absence of surfactants, in terms of drop size distributions and interfacial areas as a function of system parameters; these include physicochemical properties, mixer geometry, and operating conditions. Our results demonstrate that while it is possible to train RNNs with a single fully connected layer more efficiently than with an encoder-decoder structure, the latter is shown to be more capable of learning long-term dynamics underlying dispersion metrics. Details of the methodology are presented, which include data preprocessing, RNN model exploration, and methods for model performance visualization; an ensemble-based procedure is also introduced to provide a measure of the model uncertainty. The workflow is designed to be generic and can be deployed to make predictions in other industrial applications with similar time-series data.
Date Issued
2024-05-01
Date Acceptance
2024-04-03
Citation
Industrial and Engineering Chemistry Research, 2024, 63 (17), pp.7853-7875
ISSN
0888-5885
Publisher
American Chemical Society
Start Page
7853
End Page
7875
Journal / Book Title
Industrial and Engineering Chemistry Research
Volume
63
Issue
17
Copyright Statement
© 2024 The Authors. Published by American Chemical Society. This publication is licensed under
CC-BY 4.0.
CC-BY 4.0.
License URL
Identifier
https://www.ncbi.nlm.nih.gov/pubmed/38706982
Publication Status
Published
Coverage Spatial
United States
Date Publish Online
2024-04-22