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Reaction of O(3P) with C3H6 : Yield of the Reaction Products as a Function of Temperature

Abstract : Reaction of oxygen atoms with propene is an important step in combustion processes particularly affecting the profiles of intermediate species and flame speed. The relative importance of different pathways of this multichannel reaction at different temperatures represents significant theoretical interest and is essential for modeling combustion systems. In the present work, we report the first experimental investigation of the products of the O(3P) + C3H6 reaction over an extended temperature range (298–905 K). By using a low pressure flow reactor combined with a quadrupole mass spectrometer, the yields of the five reaction products, H atom, CH3, C2H5, CH2O and OH were determined as a function of temperature between 298 and 905 K: 0.0064 × (T/298)2.74 exp(765/T), 1.41 × (T/298)−1.0 exp(−335/T), 0.92 × (T/298)−1.41 exp(−381/T), 0.17 × (T/298)0.165 exp(−36/T), and 0.0034 × (T/298)2.34 exp(788/T), respectively (corresponding to the variation of the respective yields between 298 and 905 K in the ranges 0.08–0.31, 0.46–0.32, 0.26–0.12, 0.15–0.19, and 0.05–011), independent of pressure in the range 1–8 Torr of helium. For the yields of the minor reaction products, H2 and CH3CHO the upper limits were determined as 0.2 and 0.05, respectively. These results are compared with the experimental data and theoretical calculations available in the literature.
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Submitted on : Wednesday, January 12, 2022 - 5:54:17 PM
Last modification on : Wednesday, January 12, 2022 - 6:11:28 PM


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Yuri Bedjanian, Julien Morin. Reaction of O(3P) with C3H6 : Yield of the Reaction Products as a Function of Temperature. Journal of Physical Chemistry A, American Chemical Society, 2017, 121 (8), pp.1553 - 1562. ⟨10.1021/acs.jpca.6b12739⟩. ⟨hal-01804126⟩



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