Experimental and modeling study of the oxidation of fenchone, a high-energy density fuel-additive

Increasing fuel energy density constitutes a potential way to reduce engine exhaust carbon emission. Fenchone, a strained ring molecule, could be an interesting candidate. The present study investigates the oxidation of fen-chone in a jet-stirred reactor at high pressure (10 atm) between 700 and 1180 K at constant fuel mole fraction and constant residence time of 0.1% and 0.7 s, respectively. Mole fraction profiles were obtained through sonic probe sampling, and analyzed by gas chromatography and Fourier transform infrared spectrometry. More than 30 species were identified and most of them were quantified. Also, a kinetic mechanism is developed in this study and tested against the present conditions showing good agreement. The present mechanism allows to illuminate the major reaction pathways involved in the decomposition routes of the fuel and its primary radicals as well as the formation pathways of the quantified intermediate species. During fenchone oxidation, the carbonyl group is mostly found in CO, CO2 and formaldehyde while heavier carbonyl species were identified at much lower quantities, indicating decarbonylation occurs early during the oxidation process. Aromatic compounds such as benzene and toluene are formed especially in rich conditions while some potential oxygenated pollutants like methacrolein and acetaldehyde were quantified as well.

Automated summary

This study investigates the oxidation of fenchone, a strained ring molecule, in a jet-stirred reactor at high pressure. The results show that during fenchone oxidation, the carbonyl group mainly transforms into CO, CO2, and formaldehyde. Heavier carbonyl species are identified at lower quantities, indicating early decarbonylation. Aromatic compounds such as benzene and toluene are formed especially in rich conditions, and potential oxygenated pollutants like methacrolein and acetaldehyde are also quantified.