Detailed chemical kinetic mechanisms were developed and used to study the oxidation of two large unsaturated methyl esters: methyl-5-decenoate and methyl-90decenoate. These models were built from a previous methyl decanoate mechanism and were compared with rapeseed oil methyl esters oxidation experiments in a jet stirred reactor. Blend surrogates, containing methyl decanoate, methyl-5-decenoate, methyl-9-decenoate, and n-alkanes, were tested against rapeseed oil methyl esters and methyl palmitate/n-decane experiments. Finally, methyl 5 decenoate was used as a surrogate fuel to simulate the partial oxidation of methyl-2-nonenoate in a motored engine. The CO, CO2, and hydrocarbon species at the end of the engine cycle were similar in the measurements and simulations. These results give some confidence in the use of the chemical kinetic model under engine conditions.
Download files (CHEMKIN format):
- Methyl-5-decenoate mechanism
- Methyl-5-decenoate thermodynamic database
- Methyl-9-decenoate mechanism
- Methyl-9-decenoate thermodynamic database
- Species nomenclature
References
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
