A comprehensive combustion chemistry study of 2,5-dimethylhexane

Mani Sarathy, Tamour Javed, Florent Karsenty, Alexander Heufer, Weijing Wang, Sungwoo Park, Ahmed Elsaid Elwardani, Aamir Farooq, Charles K. Westbrook, William J. Pitz, Matthew A. Oehlschlaeger, Guillaume Dayma, Henry J. Curran, P. Dagaut

Research output: Contribution to journalArticlepeer-review

75 Scopus citations

Abstract

Iso-paraffinic molecular structures larger than seven carbon atoms in chain length are commonly found in conventional petroleum, Fischer-Tropsch (FT), and other alternative hydrocarbon fuels, but little research has been done on their combustion behavior. Recent studies have focused on either mono-methylated alkanes and/or highly branched compounds (e.g., 2,2,4-trimethylpentane). In order to better understand the combustion characteristics of real fuels, this study presents new experimental data for the oxidation of 2,5-dimethylhexane under a wide variety of temperature, pressure, and equivalence ratio conditions. This new dataset includes jet stirred reactor speciation, shock tube ignition delay, and rapid compression machine ignition delay, which builds upon recently published data for counterflow flame ignition, extinction, and speciation profiles. The low and high temperature oxidation of 2,5-dimethylhexane has been simulated with a comprehensive chemical kinetic model developed using established reaction rate rules. The agreement between the model and data is presented, along with suggestions for improving model predictions. The oxidation behavior of 2,5-dimethylhexane is compared with oxidation of other octane isomers to confirm the effects of branching on low and intermediate temperature fuel reactivity. The model is used to elucidate the structural features and reaction pathways responsible for inhibiting the reactivity of 2,5-dimethylhexane. © 2014 The Combustion Institute.
Original languageEnglish (US)
Pages (from-to)1444-1459
Number of pages16
JournalCombustion and Flame
Volume161
Issue number6
DOIs
StatePublished - Jan 16 2014

ASJC Scopus subject areas

  • Energy Engineering and Power Technology
  • Physics and Astronomy(all)
  • Chemical Engineering(all)
  • Chemistry(all)
  • Fuel Technology

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