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

Anne Rodriguez, Olivier Herbinet, Zhandong Wang, Fei Qi, Christa Fittschen, Phillip R. Westmoreland, Frédérique Battin-Leclerc

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The reactions of chain-branching agents, such as HO 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 2s) 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 HO, C-C, and C alkylhydroperoxides, C-C alkenylhydroperoxides, and C 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 C-C alkenylhydroperoxides and the pentanediones.
Original languageEnglish (US)
Pages (from-to)333-342
Number of pages10
JournalProceedings of the Combustion Institute
Issue number1
StatePublished - Jun 23 2016

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: This work was supported by European Commission (“Clean ICE” ERC Advanced Research Grant) and by COST Actions CM0901 and 1404. The authors thank John Bugler and Henry Curran for providing their mechanism before the submission of the related paper [8].


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