Detailed Chemical Kinetic Reaction Mechanism for Biodiesel Components Methyl Stearate and Methyl Oleate [electronic resource]

• Ngôn ngữ: eng
• Ký hiệu phân loại: 547.6 Aromatic compounds
• 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, 2010
• Mô tả vật lý: Size: PDF-file: 29 pages
• Bộ sưu tập: Metadata
• ID: 255999
• Chủ đề: 1. 30 direct energy conversion; 2. 37 inorganic, organic, physical and analytical chemistry; 3. Autoignition; 4. Brassica; 5. Chains; 6. Chemical reactions; 7. Combustion; 8. Double bonds; 9. Esters; 10. Et al; 11. Hydrocarbons

Tóm tắt

New chemical kinetic reaction mechanisms are developed for two of the five major components of biodiesel fuel, methyl stearate and methyl oleate. The mechanisms are produced using existing reaction classes and rules for reaction rates, with additional reaction classes to describe other reactions unique to methyl ester species. Mechanism capabilities were examined by computing fuel/air autoignition delay times and comparing the results with more conventional hydrocarbon fuels for which experimental results are available. Additional comparisons were carried out with measured results taken from jet-stirred reactor experiments for rapeseed methyl ester fuels. In both sets of computational tests, methyl oleate was found to be slightly less reactive than methyl stearate, and an explanation of this observation is made showing that the double bond in methyl oleate inhibits certain low temperature chain branching reaction pathways important in methyl stearate. The resulting detailed chemical kinetic reaction mechanism includes more approximately 3500 chemical species and more than 17,000 chemical reactions.