2012
DOI: 10.1021/jp309821z
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Abstract: The low-temperature oxidation of propane was investigated using a jet-stirred reactor at atmospheric pressure and two methods of analysis: gas chromatography and synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) with direct sampling through a molecular jet. The second method allowed the identification of products, such as molecules with hydroperoxy functions, which are not stable enough to be detected by gas chromatography. Mole fractions of the reactants and reaction products were m… Show more

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Cited by 58 publications
(63 citation statements)
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“…The classical low-temperature auto-oxidation reaction scheme presented in Scheme 1 has been confirmed via gas-phase measurements of the key intermediates such as hydroperoxyalkyl radicals [30], alkylhydroperoxides [31,32], large alkenes [32][33][34][35], cyclic ethers [31,34,36,37], and keto-hydroperoxides [33,35,[38][39][40][41][42]. Experiments on liquid-phase auto-oxidation by Korcek and coworkers [43][44][45][46] identified the presence of monohydroperoxides, dihydroperoxides, and keto-hydroperoxides, while recent computational studies [47,48] have shown that subsequent decomposition pathways of keto-hydroperoxides to acids are favorable.…”
Section: Introductionmentioning
confidence: 74%
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“…The classical low-temperature auto-oxidation reaction scheme presented in Scheme 1 has been confirmed via gas-phase measurements of the key intermediates such as hydroperoxyalkyl radicals [30], alkylhydroperoxides [31,32], large alkenes [32][33][34][35], cyclic ethers [31,34,36,37], and keto-hydroperoxides [33,35,[38][39][40][41][42]. Experiments on liquid-phase auto-oxidation by Korcek and coworkers [43][44][45][46] identified the presence of monohydroperoxides, dihydroperoxides, and keto-hydroperoxides, while recent computational studies [47,48] have shown that subsequent decomposition pathways of keto-hydroperoxides to acids are favorable.…”
Section: Introductionmentioning
confidence: 74%
“…The majority of studies on low-temperature hydrocarbon autooxidation use propane [37] or n-butane [32], as these prototypical nalkanes display the cool-flame and negative temperature coefficient (NTC) characteristics observed in larger alkanes. n-Heptane and isooctane are also commonly used surrogate compounds to understand the ignition chemistry of real gasoline fuels [23,24].…”
Section: Introductionmentioning
confidence: 99%
“…The emergence of CH 3 CH 2 CHO, CH 3 COCH 3 , propene (C 3 H 6 ) and C 2 H 4 below 700 K in the experimental results is consistent with this scheme and the experimental results of Koert et al [27], suggesting that low-temperature chain propagation is taking part in the presence of the plasma. Furthermore, it is also possible for a second O 2 to add to QOOH, creating hydroperoxy-alkylperoxy radical OOQOOH (OOC 3 via an internal H-atom abstraction and decompose into a stable ketohydroperoxide (OQ −H OOH) and OH [15,[31][32][33]. The ketohydroperoxide acts as a degenerate branching agent, which can decompose into at least two radical species (i.e.…”
Section: Results and Discussion (A) Oxidation Trends Of Various Alkanmentioning
confidence: 99%
“…These investigations were undertaken in light of recent experimental data detailing several intermediate species produced from the low-temperature oxidation of propane, n-butane, and n-heptane, using advanced analytical techniques. [33][34][35][36][37][38] These oxygenated intermediates include ketones, diones, and organic acids, and are formed primarily at quite low temperatures (<650 K). The reaction classes investigated were (1) show that, at 650 K, 94% of C 7 carbonyl-hydroperoxides decompose via simple fission of the O-O bond in the hydroperoxyl group.…”
Section: Additional Pathwaysmentioning
confidence: 99%