Experimental and kinetic modeling studies of the low-temperature oxidation of 2-methylfuran in a jet-stirred reactor

摘要

2-Methylfuran (MF), a promising biofuel, produced from non-edible biomass, is desirable as an alternativefuel or fuel additive to internal combustion engines. For a better understanding of the ignition process inengines, the low-temperature oxidation experiments of MF at the temperature range of 600 – 925 K andatmospheric pressure with different equivalence ratios (0.5, 1.0, and 2.0), were performed in a jet-stirredreactor. Synchrotron vacuum ultraviolet photoionization mass spectrometry was used to identify andmeasure the intermediates and products in the oxidation process, especially for the isomers (furfural/2-ethylfuran and furan/vinyl ketene), species with identical mass-to-charge ratio (methanol/oxygen andaldehyde/carbon dioxide), and the other oxygenated and hydrocarbon products. The typical negativetemperature-coefficient behavior was not observed in the low-temperature oxidation of MF. The dominantconsumption pathways of MF in low-temperature oxidation are the hydroxyl radical/hydrogen atomadditionreactions on the ring and hydrogen atom-abstraction reactions on the side methyl group by hydroxylradical/hydroperoxyl radical/hydrogen atom, while the contribution of unimolecular decompositionreactions is almost negligible. 2-Furylmethyl radical is a key intermediate in the low-temperature oxidationof MF. Furfural and 2-ethylfuran, as the subsequent products from 2-furylmethyl low-temperatureoxidation, were identified as the early-stage products. Besides, the important chemistry of other importantspecies, especially acrolein and methyl vinyl ketone, were also discussed at different equivalenceratios.