TY - JOUR
T1 - A comprehensive combustion chemistry study of 2,5-dimethylhexane
AU - Sarathy, S. Mani
AU - Javed, Tamour
AU - Karsenty, Florent
AU - Heufer, Alexander
AU - Wang, Weijing
AU - Park, Sungwoo
AU - Elwardany, Ahmed
AU - Farooq, Aamir
AU - Westbrook, Charles K.
AU - Pitz, William J.
AU - Oehlschlaeger, Matthew A.
AU - Dayma, Guillaume
AU - Curran, Henry J.
AU - Dagaut, Philippe
PY - 2014/6
Y1 - 2014/6
N2 - 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.
AB - 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.
KW - Branched hydrocarbons
KW - Chemical kinetic modeling
KW - Ignition delay
KW - Jet stirred reactor
KW - Rapid compression machine
KW - Shock tube
UR - https://www.scopus.com/pages/publications/84899477049
U2 - 10.1016/j.combustflame.2013.12.010
DO - 10.1016/j.combustflame.2013.12.010
M3 - Article
SN - 0010-2180
VL - 161
SP - 1444
EP - 1459
JO - Combustion and Flame
JF - Combustion and Flame
IS - 6
ER -
