Cargando…
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...
Autores principales: | , |
---|---|
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 |
_version_ | 1784685483620564992 |
---|---|
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. |
format | Online Article Text |
id | pubmed-9000638 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT kalenchukalexandern kineticmodelingofhydrogenproductionbydehydrogenationofpolycyclicnaphtheneswithvaryingdegreesofcondensation AT kustovleonidm kineticmodelingofhydrogenproductionbydehydrogenationofpolycyclicnaphtheneswithvaryingdegreesofcondensation |