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Measuring hydroperoxide chain-branching agents during n-pentane low-temperature oxidation

Abstract : The reactions of chain-branching agents, such as H2O2 and hydroperoxides, have a decisive role in the occurrence of autoignition. The formation of these agents has been investigated in an atmospheric-pressure jet-stirred reactor during the low-temperature oxidation of n-pentane (initial fuel mole fraction of 0.01, residence time of 2 s) using three different diagnostics: time-of-flight mass spectrometry combined with tunable synchrotron photoionization, time-of-flight mass spectrometry combined with laser photoionization, and cw-cavity ring-down spectroscopy. These three diagnostics enable a combined analysis of H2O2, C1–C2, and C5 alkylhydroperoxides, C3–C5 alkenylhydroperoxides, and C5 alkylhydroperoxides including a carbonyl function (ketohydroperoxides). Results using both types of mass spectrometry are compared for the stoichiometric mixture. Formation data are presented at equivalence ratios from 0.5 to 2 for these peroxides and of two oxygenated products, ketene and pentanediones, which are not usually analyzed during jet-stirred reactor oxidation. The formation of alkenylhydroperoxides during alkane oxidation is followed for the first time. A recently developed model of n-pentane oxidation aids discussion of the kinetics of these products and of proposed pathways for C3–C5 alkenylhydroperoxides and the pentanediones.
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Submitted on : Friday, February 10, 2017 - 9:40:42 AM
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Anne R Rodriguez, Olivier Herbinet, Zhandong R Wang, Fei R Qi, Christa R Fittschen, et al.. Measuring hydroperoxide chain-branching agents during n-pentane low-temperature oxidation. Proceedings of the Combustion Institute, Elsevier, 2017, 36, pp.333 - 342. ⟨10.1016/j.proci.2016.05.044⟩. ⟨hal-01464175⟩



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