TY - JOUR
T1 - Experimental and kinetic modeling study of 3-methylheptane in a jet-stirred reactor
AU - Karsenty, Florent
AU - Sarathy, Mani
AU - Togbé, Casimir
AU - Westbrook, Charles K.
AU - Dayma, Guillaume
AU - Dagaut, P.
AU - Mehl, Marco
AU - Pitz, William J.
N1 - KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: This work was performed under the auspices of the U.S. Department of Energy by the LLNL under Contract DE-AC52-07NA27344. The work at LLNL was supported by the Office of Naval Research (program manager Sharon Beermann-Curtin) and the Office of Vehicle Technologies, U.S. Department of Energy (program manager Gurpreet Singh). At CNRS, the research leading to these results has received funding from the European Research Council under the European Community's Seventh Framework Programme (FP7/2007-2013)/ERC Grant Agreement 291049-2G-CSafe. S. M. Sarathy acknowledges fellowship support from the Natural Sciences and Engineering Research Council of Canada (NSERC) and research funding from the King Abdullah University of Science and Technology.
PY - 2012/8/3
Y1 - 2012/8/3
N2 - Improving the combustion of conventional and alternative fuels in practical applications requires the fundamental understanding of large hydrocarbon combustion chemistry. The focus of the present study is on a high-molecular-weight branched alkane, namely, 3-methylheptane, oxidized in a jet-stirred reactor. This fuel, along with 2-methylheptane, 2,5-dimethylhexane, and n-octane, are candidate surrogate components for conventional diesel fuels derived from petroleum, synthetic Fischer-Tropsch diesel and jet fuels derived from coal, natural gas, and/or biomass, and renewable diesel and jet fuels derived from the thermochemical treatment of bioderived fats and oils. This study presents new experimental results along with a low- and high-temperature chemical kinetic model for the oxidation of 3-methylheptane. The proposed model is validated against these new experimental data from a jet-stirred reactor operated at 10 atm, over the temperature range of 530-1220 K, and for equivalence ratios of 0.5, 1, and 2. Significant effort is placed on the understanding of the effects of methyl substitution on important combustion properties, such as fuel reactivity and species formation. It was found that 3-methylheptane reacts more slowly than 2-methylheptane at both low and high temperatures in the jet-stirred reactor. © 2012 American Chemical Society.
AB - Improving the combustion of conventional and alternative fuels in practical applications requires the fundamental understanding of large hydrocarbon combustion chemistry. The focus of the present study is on a high-molecular-weight branched alkane, namely, 3-methylheptane, oxidized in a jet-stirred reactor. This fuel, along with 2-methylheptane, 2,5-dimethylhexane, and n-octane, are candidate surrogate components for conventional diesel fuels derived from petroleum, synthetic Fischer-Tropsch diesel and jet fuels derived from coal, natural gas, and/or biomass, and renewable diesel and jet fuels derived from the thermochemical treatment of bioderived fats and oils. This study presents new experimental results along with a low- and high-temperature chemical kinetic model for the oxidation of 3-methylheptane. The proposed model is validated against these new experimental data from a jet-stirred reactor operated at 10 atm, over the temperature range of 530-1220 K, and for equivalence ratios of 0.5, 1, and 2. Significant effort is placed on the understanding of the effects of methyl substitution on important combustion properties, such as fuel reactivity and species formation. It was found that 3-methylheptane reacts more slowly than 2-methylheptane at both low and high temperatures in the jet-stirred reactor. © 2012 American Chemical Society.
UR - http://hdl.handle.net/10754/564592
UR - https://pubs.acs.org/doi/10.1021/ef300852w
UR - http://www.scopus.com/inward/record.url?scp=84865131716&partnerID=8YFLogxK
U2 - 10.1021/ef300852w
DO - 10.1021/ef300852w
M3 - Article
SN - 0887-0624
VL - 26
SP - 4680
EP - 4689
JO - Energy & Fuels
JF - Energy & Fuels
IS - 8
ER -
