Pyrolysis and combustion chemistry of tetrahydropyran: Experimental and modeling study

Abstract : This paper reports new experimental and numerical data for the pyrolysis and combustion of tetrahydropyran (THP) - a model component for next-generation heterocyclic oxygenated fuels. Pyrolysis experiments were performed using a plug flow reactor at 170 kPa, over the temperature range 913-1133 K at residence times of approximately 0.5 and 0.2 s, with 90% and 96% N-2 dilution, respectively. THP combustion was investigated in two premixed flat flame burners and in a shock tube. The first premixed flame burner was operated at 6.7 kPa and was used to study detailed flame structures. Two equivalence ratios (1.0 and 1.3) were investigated with a 78% argon dilution. Ethylene, 1,3-butadiene, formaldehyde, and acrolein were the most important intermediates at both pyrolysis and combustion conditions, while the yield of aromatic species was negligible under flame conditions. Laminar burning velocities of THP-air mixtures using the heat flux method were measured at 298,358 and 398 K and equivalence ratios from 0.55 to 1.50. Finally, ignition delay times of THP-oxygen-argon mixtures were measured behind reflected shock waves at temperatures from 1350 to 1613 K, pressures from 885 to 914 kPa and mixtures containing 0.15-1% fuel at equivalence ratios between 0.5 and 2.0. A new detailed kinetic model for the THP pyrolysis/combustion was developed by EX-GAS, complemented with theoretical calculations for the determining reactions. Good agreements between simulations and acquired experimental data were observed. Reaction path analysis shows that THP is mainly consumed by H-abstractions at both pyrolysis and combustion conditions. The pyrolysis simulations are very sensitive to the unimolecular initiations involving C-C and C-O bond fissions, whereas these reactions play only a very minor role under combustion conditions.
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Combustion and Flame, Elsevier, 2015, 162 (11), pp.4283-4303. 〈10.1016/j.combustflame.2015.07.030〉
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https://hal.univ-lorraine.fr/hal-01264849
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Soumis le : vendredi 29 janvier 2016 - 17:06:00
Dernière modification le : mercredi 14 novembre 2018 - 09:46:02

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Luc-Sy Tran, Ruben De Bruycker, Hans-Heinrich Carstensen, Pierre-Alexandre Glaude, Fabiola Monge, et al.. Pyrolysis and combustion chemistry of tetrahydropyran: Experimental and modeling study. Combustion and Flame, Elsevier, 2015, 162 (11), pp.4283-4303. 〈10.1016/j.combustflame.2015.07.030〉. 〈hal-01264849〉

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