Biodiesel surrogate mechanisms were developed based using the detailed chemical kinetic mechanisms for n-heptane and for the methyl esters methyl-decanoate and methyl 9 decenoate. These models were compared with experiments in a jet stirred reactor of rapeseed oil methyl esters from 800-1400K at 10 atm and an equivalence ratio of 0.5. The surrogates were also compared to jet stirred reactor experiments of a mixture of methyl palmitate and n-decane. Methyl palmitate is a methyl ester that is actually contained in rapeseed and soybean derived biodiesel. The later experiments were conducted at 550 – 1100K, 1 atm and stoichiometric conditions.
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- Methyl decanoate + n-heptane mechanism
- Methyl decanoate + n-heptane thermodynamic database
- Methyl decanoate + methyl-9-decenoate + n-heptane mechanism
- Methyl decanoate + methyl-9-decenoate + n-heptane thermodynamic database
- Species nomenclature
Herbinet, O., Pitz, W. J., Westbrook, C. K., Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate. Combust. Flame, 2010, Available online: http://dx.doi.org/10.1016/j.combustflame.2009.10.013 LLNL-JRNL-414930