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New insights into the low-temperature oxidation of 2-methylhexane

  • Author(s): Wang, Z
  • Mohamed, SY
  • Zhang, L
  • Moshammer, K
  • Popolan-Vaida, DM
  • Shankar, VSB
  • Lucassen, A
  • Ruwe, L
  • Hansen, N
  • Dagaut, P
  • Sarathy, SM
  • et al.
Abstract

The low-temperature oxidation of a stoichiometric 2-methylhexane/O2/Ar mixture was examined in a jet-stirred reactor coupled with synchrotron vacuum UV photoionization molecular-beam MS. Low-temperature oxidation intermediates with two to five oxygen atoms were observed. The detection of C7H14O5and C7H14O4species implies that a third O2addition process occurred in 2-methylhexane low-temperature oxidation. A detailed kinetic model was developed to describes the third O2addition and subsequent reactions leading to C7H14O5(keto-dihydroperoxide and dihydroperoxy cyclic ether) and C7H14O4(diketo-hydroperoxide and keto-hydroperoxy cyclic ether) species. The kinetics of the third O2addition reactions revealed that the addition reactions promoted 2-methylhexane auto-ignition at low temperatures.

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