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        A Systematic Technique for Kinetic Parameter Estimation in Heterogeneous Solid Catalytic Reaction Networks with Applications

        Fernandes Thalita,Silva Sidinei,Araújo Antonio 한국화학공학회 2024 Korean Journal of Chemical Engineering Vol.41 No.3

        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.

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