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Kinetic Modeling of Hydrogen Production by Dehydrogenation of Polycyclic Naphthenes with Varying Degrees of Condensation

The kinetics of reactions of dehydrogenation of polycyclic naphthenes (cyclohexane, decalin, bicyclohexyl, ortho-, meta-, and para-isomers of perhydroterphenyl) is modeled on the basis of a formal comparison of kinetic equations of the 1st and 2nd orders based on real experimental data. It is shown...

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Autores principales: Kalenchuk, Alexander N., Kustov, Leonid M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9000638/
https://www.ncbi.nlm.nih.gov/pubmed/35408635
http://dx.doi.org/10.3390/molecules27072236
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author Kalenchuk, Alexander N.
Kustov, Leonid M.
author_facet Kalenchuk, Alexander N.
Kustov, Leonid M.
author_sort Kalenchuk, Alexander N.
collection PubMed
description The kinetics of reactions of dehydrogenation of polycyclic naphthenes (cyclohexane, decalin, bicyclohexyl, ortho-, meta-, and para-isomers of perhydroterphenyl) is modeled on the basis of a formal comparison of kinetic equations of the 1st and 2nd orders based on real experimental data. It is shown that the reaction of the 1st order is predominating in the series of cyclohexane–bicyclohexyl–perhydroparatherphenyl. For all other substrates, the probability of describing the reaction in accordance with the equation of the 2nd order increases markedly, and for trans-decalin it becomes the predominant form of describing the kinetics of the reaction.
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spelling pubmed-90006382022-04-12 Kinetic Modeling of Hydrogen Production by Dehydrogenation of Polycyclic Naphthenes with Varying Degrees of Condensation Kalenchuk, Alexander N. Kustov, Leonid M. Molecules Article The kinetics of reactions of dehydrogenation of polycyclic naphthenes (cyclohexane, decalin, bicyclohexyl, ortho-, meta-, and para-isomers of perhydroterphenyl) is modeled on the basis of a formal comparison of kinetic equations of the 1st and 2nd orders based on real experimental data. It is shown that the reaction of the 1st order is predominating in the series of cyclohexane–bicyclohexyl–perhydroparatherphenyl. For all other substrates, the probability of describing the reaction in accordance with the equation of the 2nd order increases markedly, and for trans-decalin it becomes the predominant form of describing the kinetics of the reaction. MDPI 2022-03-30 /pmc/articles/PMC9000638/ /pubmed/35408635 http://dx.doi.org/10.3390/molecules27072236 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Kalenchuk, Alexander N.
Kustov, Leonid M.
Kinetic Modeling of Hydrogen Production by Dehydrogenation of Polycyclic Naphthenes with Varying Degrees of Condensation
title Kinetic Modeling of Hydrogen Production by Dehydrogenation of Polycyclic Naphthenes with Varying Degrees of Condensation
title_full Kinetic Modeling of Hydrogen Production by Dehydrogenation of Polycyclic Naphthenes with Varying Degrees of Condensation
title_fullStr Kinetic Modeling of Hydrogen Production by Dehydrogenation of Polycyclic Naphthenes with Varying Degrees of Condensation
title_full_unstemmed Kinetic Modeling of Hydrogen Production by Dehydrogenation of Polycyclic Naphthenes with Varying Degrees of Condensation
title_short Kinetic Modeling of Hydrogen Production by Dehydrogenation of Polycyclic Naphthenes with Varying Degrees of Condensation
title_sort kinetic modeling of hydrogen production by dehydrogenation of polycyclic naphthenes with varying degrees of condensation
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9000638/
https://www.ncbi.nlm.nih.gov/pubmed/35408635
http://dx.doi.org/10.3390/molecules27072236
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