A Comprehensive and Compact Mechanism for the Oxidation of methyl-Decanoate

Xiaoxiao Wang, Lars Seidel, Fabian Mauss, Thomas Zeuch

Abstract

Methyl-decanoate (MD) is an important surrogate fuel component representing the methylester
fraction in biodiesel. In recent years different experimental studies using MD as fuel were reported; detailed as well as reduced mechanisms were developed for both improving our kinetic understanding and engineering applications. Jet stirred reactor (JSR) experiments were performed by Dagaut et al. (2007)  with rapeseed oil at 1 and 10 atm, 800 to 1400 K with 0.25 to 1.5 s residence times. These experiments were simulated using n-hexadecane as reference fuel. A general similarity was noticed for major species (such as C2 to C6 olefins). The early formation of CO2 caused by the methyl-ester group was not captured by the model. The first detailed oxidation mechanism for MD was developed by Herbinet et al. It is based on oxidation reaction rules by Curran and co-workers with an extension to cover the methylester group, this MD oxidation model can predict the early CO2 formation in the rapeseed oil JSR experiment.