Lawrence Livermore National Laboratory

Detailed chemical kinetic mechanisms were developed and used to study the oxidation of two large unsaturated methyl esters: methyl-5-decenoate and methyl 9 decenoate. 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.

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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: