Comprehensive chemical kinetic modeling of the oxidation of C8 and larger n-alkanes and 2-methylalkanes [electronic resource]

• Ngôn ngữ: eng
• Ký hiệu phân loại: 662.7 Coke and charcoal
• Thông tin xuất bản: Livermore, Calif : Oak Ridge, Tenn. : Lawrence Livermore National Laboratory ; Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy, 2011
• Mô tả vật lý: Size: PDF-file: 48 pages
• Bộ sưu tập: Metadata
• ID: 256923
• Chủ đề: 1. 10 synthetic fuels; 2. 29 energy planning, policy and economy; 3. 30 direct energy conversion; 4. 37 inorganic, organic, physical and analytical chemistry; 5. Alkanes; 6. Autoignition; 7. Chemistry; 8. Combustion; 9. Combustion properties; 10. Diesel fuels; 11. Et al

Tóm tắt

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 C{sub 8} to C{sub 20}. The mechanism also includes an updated version of our previously published C{sub 8} to C{sub 16} 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 nonpremixed 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.