Overall
- Language
- English
- Conflict of Interest
- In relation to this article, we declare that there is no conflict of interest.
- Publication history
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Received June 12, 2023
Accepted October 10, 2023
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This is an Open-Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/bync/3.0) which permits
unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.
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A Systematic Technique for Kinetic Parameter Estimation in Heterogeneous Solid Catalytic Reaction Networks with Applications
Abstract
Estimating kinetic parameters in heterogeneous solid catalytic reaction networks is known to being a diffi cult task. This
work aims at proposing a down-to-earth methodology to obtain kinetic parameters from numerical experiments. We present
three techniques: a multivariable linear regression model, a stochastic metamodeling, and an optimized Kriging metamodel
connected to a least-squares method. We consolidate the methodology in two diff erent applications. The fi rst one is a process
with few components in two reactions from where it was possible to acquire the reaction rate equations that fi tted literature
data. The second one is a complex industrial reaction network. The results showed that even if the candidate proposed reaction
rate equations do not fi t the experiments, it is possible to construct a mathematical metamodel that conforms to the behavior
of the components. Statistical tests showed that in both cases the proposed models successfully fi t the experimental data.
