Modeling in Microreactors

Borovinskaya, Ekaterina

doi:10.1002/9783527652891.ch12

Cited by 3 publications

(2 citation statements)

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“…Two different modelling ways were used to describe the three-phase catalytic hydrogenation of cinnamaldehyde: formal kinetics and kinetics concerning the Langmuir-Hinshelwood theory in the mechanism of heterogeneously catalyzed reaction [11].…”

Section: Methodsmentioning

confidence: 99%

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Redundancy-Free Models for Mathematical Descriptions of Three-Phase Catalytic Hydrogenation of Cinnamaldehyde

Borovinskaya

2021

Catalysts

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A new approach on how to formulate redundancy-free models for mathematical descriptions of three-phase catalytic hydrogenation of cinnamaldehyde is presented. An automatically created redundant (generalized) model is formulated according to the complete reaction network. Models based on formal kinetics and kinetics concerning the Langmuir-Hinshelwood theory for three-phase catalytic hydrogenation of cinnamaldehyde were investigated. Redundancy-free models were obtained as a result of a step-by-step elimination of model parameters using sensitivity and interval analysis. Starting with 24 parameters in the redundant model, the redundancy-free model based on the Langmuir-Hinshelwood mechanism contains 6 parameters, while the model based on formal kinetics includes only 4 parameters. Due to less degrees of freedom of molecular rotation in the adsorbed state, the probability of a direct conversion of cinnamaldehyde to 3-phenylpropanol according to the redundancy-free model based on Langmuir-Hinshelwood approach is practically negligible compared to the model based on formal kinetics.

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Section: Methodsmentioning

confidence: 99%

“…The redundant model (1) of the cinnamic aldehyde hydrogenation was provided according to the Langmuir-Hinshelwood mechanism. The rate of the individual reaction stages was defined by Equation (11). The test runs according to Langmuir-Hinshelwood mechanism are summarized in Table 3.…”

Section: Kinetic Approach According To Langmuir-hinshelwood Mechanismmentioning

confidence: 99%