Detailed Chemical Kinetic Reaction Mechanism for Biodiesel Components Methyl Stearate and Methyl Oleate

Naik, C; Westbrook, C K; Herbinet, O; Pitz, W J; Mehl, M

doi:10.1016/j.proci.2010.05.007

Title: Detailed Chemical Kinetic Reaction Mechanism for Biodiesel Components Methyl Stearate and Methyl Oleate

Conference · Fri Jan 22 00:00:00 EST 2010

DOI:https://doi.org/10.1016/j.proci.2010.05.007· OSTI ID:990417

Naik, C; Westbrook, C K; Herbinet, O; Pitz, W J; Mehl, M

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.

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Research Organization:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: W-7405-ENG-48

OSTI ID:: 990417

Report Number(s):: LLNL-PROC-422850; TRN: US201020%%365

Resource Relation:: Journal Volume: 33; Journal Issue: 1; Conference: Presented at: The 33rd International Symposium on Combustion, Beijing, China, Aug 01 - Aug 06, 2010

Country of Publication:: United States

Language:: English

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Title: Detailed Chemical Kinetic Reaction Mechanism for Biodiesel Components Methyl Stearate and Methyl Oleate

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