On the laminar flame propagation of C5H10O2 esters up to 10 atm: A comparative experimental and kinetic modeling study

Abstract

Biodiesel is a family of renewable engine fuels with carbon-neutral nature. In this work, three C5H10O2 esters (methyl butanoate, methyl isobutanoate and ethyl propanoate), which can serve as model compounds of biodiesel and represent linear and branched methyl esters and linear ethyl esters, were investigated to characterize their laminar flame propagation characteristics up to 10 atm and unravel the effects of isomeric fuel structures. A high-pressure constant-volume cylindrical combustion vessel was used to achieve laminar burning velocity measurements at 1–10 atm, 423 K and equivalence ratios of 0.7–1.5, while comparative experimental work was performed on a heat flux burner at 1 atm, 393 K and equivalence ratios of 0.7–1.6 for methyl butanoate and ethyl propanoate. The laminar burning velocity generally decreases with increasing pressure and increases in the order of methyl isobutanoate, methyl butanoate and ethyl propanoate, which shows distinct fuel isomeric effects. A kinetic model of C5H10O2 esters was developed and validated against the new data in this work and previous data in literature. Modeling analyses were performed to provide insight into the fuel-specific flame chemistry of the three esters isomers. Remarkable differences in radical pools of three ester isomers are concluded to be responsible for the observed fuel isomeric effects on laminar flame propagation. The feature of two ethyl groups connected to the ester group in ethyl propanoate facilitates the ethyl production and inhibits the methyl and allyl production, making it propagate fastest among the three isomers. The branched structure feature of methyl isobutanoate with methyl and i-propyl groups connected to the ester group prevents the ethyl formation and results in considerable CH3 and allyl production, which decelerates its laminar flame propagation.