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Reaction kinetics of the Shvo-catalyzed dehydrogenation of 1-phenyl-1,3-propanediol-derived lignin model compound




TekijätBadazhkova Veronika D, Savela Risto, Wärnå Johan, Murzin Dmitry Yu, Leino Reko

KustantajaElsevier

Julkaisuvuosi2024

JournalMolecular Catalysis

Tietokannassa oleva lehden nimiMolecular Catalysis

Artikkelin numero113780

Vuosikerta553

ISSN2468-8231

eISSN2468-8231

DOIhttps://doi.org/10.1016/j.mcat.2023.113780

Verkko-osoitehttps://doi.org/10.1016/j.mcat.2023.113780

Rinnakkaistallenteen osoitehttps://research.utu.fi/converis/portal/detail/Publication/386839083


Tiivistelmä

The Shvo-catalyst allows to perform hydrogen transfer from the benzylic hydroxyl group of 1-phenyl-1,3-propanediol to 2-butanone. This paper describes kinetic studies on the Shvo-catalyzed dehydrogenation of 1-phenyl-1,3-propanediol as a lignin model compound. The influence of catalyst amount, temperature and the presence of 2-butanol were investigated. It was found that the apparent rate constant of the reaction depends on the catalyst concentration, with the rate expression having 0.5 order in the same. From the study of reaction rates at different temperatures, the apparent activation energy Ea of 1-phenyl-1,3-propanediol conversion was found to be 77 kJ/mol. In the presence of a twenty-fold excess of 2-butanone, the dehydrogenation reaction can be considered as pseudo first order in terms of the substrates. Based on the obtained experimental data, a kinetic model of the dehydrogenation of 1-phenyl-1,3-propanediol, describing the catalyst concentration dependence, temperature influence and the concentrations of 2-butanone and 2-butanol, was developed.


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