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# A chemical kinetic study of tetrahydropyran high-pressure oxidation in a jet-stirred reactor

Bakr Hoblos, Zeynep Serinyel, Dayma Guillaume, Philippe Dagaut

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Bakr Hoblos, Zeynep Serinyel, Dayma Guillaume, Philippe Dagaut. A chemical kinetic study of tetrahydropyran high-pressure oxidation in a jet-stirred reactor. Low-carbon combustion - 3rd Edition, The Combustion Institute, Apr 2024, Nancy, France. hal-05136183

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https://hal.science/hal-05136183v1

Submitted on 30 Jun 2025

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A chemical kinetic study of tetrahydropyran
high-pressure oxidation in a jet-stirred
reactor

Bakr Hoblos * <fnref n="1" />,<fnref n="2" />, Zeynep Serinyel† <fnref n="1" />,<fnref n="2" />, Guillaume Dayma <fnref n="1" />,<fnref n="2" />, Philippe Dagaut <fnref n="1" />

Tetrahydropyran (THP) is an important cyclic ether abundantly formed as an intermediate during the low-temperature oxidation of many hydrocarbons, especially normal alkanes. It is also considered as an interesting and promising oxygenated molecule in the context of next-generation biofuels development. This is essentially due to its substantial existence in the structural core of glucose and many other sugars, which play a crucial role in the oxidation and pyrolysis chemistry of lignocellulosic biomass. In the present work, the oxidation of THP was studied in a jet-stirred reactor (JSR). Fuel-lean (φ = 0.5), stoichiometric (φ = 1) and fuel-rich (φ = 2 and 4) mixtures were oxidized at an initial fuel mole fraction of 1000 ppm, a pressure of 10 atm, a residence time of 700 ms, and for temperatures ranging from 480 to 1260 K. Gas chromatography and Fourier transform infrared spectroscopy were used to determine the mole fraction profiles of the different reactant, product and intermediate species. Based on these profiles, a detailed kinetic mechanism for the oxidation of THP was developed in this work. THP exhibits a low-temperature reactivity which becomes less pronounced with the increase of equivalence ratio and completely disappears at φ = 4. Reaction pathway analyses were performed with the present model. As expected, the hydrogen-atom abstraction reactions from the fuel were found to be the most favorable at the carbon adjacent to the ether group. As a result, the overall reactivity is primarily driven by the chemistry of the corresponding fuel radical formed. The proposed mechanism shows a good performance for representing the present experimental data. However, more data (including atmospheric pressure speciation, ignition delay times and laminar flame speeds) are required for further validation of the present mechanism and in order to have a better understanding of the kinetic behavior of THP.

<footnote n="1">¹ Institut de Combustion, Aérothermique, Réactivité et Environnement – Centre National de la Recherche Scientifique - CNRS – France</footnote>

<footnote n="2">² Université d'Orléans – Ville d'Orléans – France</footnote>

<footnote>*Speaker</footnote>

<footnote>†Corresponding author: zeynep.serinyel@cnrs-orleans.fr</footnote>