Comprehensive chemical kinetic modeling of the oxidation of 2-methylalkanes from C7 to C20

Abstract : Conventional petroleum jet and diesel fuels, as well as alternative Fischer-Tropsch (FT) fuels and hydrotreated renewable jet (HRJ) fuels, contain high molecular weight lightly branched alkanes (i.e., methylalkanes) and straight chain alkanes (n-alkanes). Improving the combustion of these fuels in practical applications requires a fundamental understanding of large hydrocarbon combustion chemistry. This research project presents a detailed and reduced chemical kinetic mechanism for singly methylated iso-alkanes (i.e., 2-methylalkanes) ranging from C8 to C20. The mechanism also includes an updated version of our previously published C8 to C16 n-alkanes model. The complete detailed mechanism contains approximately 7,200 species 31,400 reactions. The proposed model is validated against new experimental data from a variety of fundamental combustion devices including premixed and non-premixed flames, perfectly stirred reactors and shock tubes. This new model is used to show how the presence of a methyl branch affects important combustion properties such as laminar flame propagation, ignition, and species formation.
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https://hal.archives-ouvertes.fr/hal-02020213
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Submitted on : Friday, February 15, 2019 - 10:05:28 AM
Last modification on : Wednesday, August 7, 2019 - 12:18:08 PM

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S.M. Sarathy, C.K. Westbrook, M. Mehl, W.J. Pitz, C. Togbé, et al.. Comprehensive chemical kinetic modeling of the oxidation of 2-methylalkanes from C7 to C20. Combustion and Flame, Elsevier, 2011, 158 (12), pp.2338-2357. ⟨10.1016/j.combustflame.2011.05.007⟩. ⟨hal-02020213⟩

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