Experimental and kinetic modeling study of trans-methyl-3-hexenoate oxidation in JSR and the role of CC double bond

The oxidation of trans-methyl-3-hexenoate (CAS Number 2396-78-3) under 3 different equivalence ratios of 0.6, 1.0 and 2.0 was investigated in a jet-stirred reactor over the temperature range of 560–1220 K at 10 atm and τ = 0.7 s. Mole fractions of 22 species were quantified as the function of temperature under each condition. Compared to the saturated ester methyl hexanoate, the absence of cool flame and negative temperature coefficient regions in the present work reflects the influence of CC double bond to fuel oxidation. A mechanism based on previous work of methyl hexanoate was developed and validated against the experimental data with satisfactory agreement. Through analysis of the experimental and modeling results, the role of CC double bond in the oxidation process and the resulting reaction pathways that feature the oxidation of methyl-3-hexenoate are discussed.