Abstract
Abstract. A study of the kinetics and products obtained from the reactions of 3-methylfuran with the main atmospheric oxidants has been performed. The rate coefficients for the gas-phase reaction of 3-methylfuran with OH and NO3 radicals have been determined at room temperature and atmospheric pressure (air and N2 as bath gases), using a relative method with different experimental techniques. The rate coefficients obtained for these reactions were (in units cm3 molecule−1 s−1) kOH = (1.13 ± 0.22) × 10−10 and kNO3 = (1.26 ± 0.18) × 10−11. Products from the reaction of 3-methylfuran with OH, NO3 and Cl atoms in the absence and in the presence of NO have also been determined. The main reaction products obtained were chlorinated methylfuranones and hydroxy-methylfuranones in the reaction of 3-methylfuran with Cl atoms, 2-methylbutenedial, 3-methyl-2,5-furanodione and hydroxy-methylfuranones in the reaction of 3-methylfuran with OH and NO3 radicals and also nitrated compounds in the reaction with NO3 radicals. The results indicate that, in all cases, the main reaction path is the addition to the double bond of the aromatic ring followed by ring opening in the case of OH and NO3 radicals. The formation of 3-furaldehyde and hydroxy-methylfuranones (in the reactions of 3-methylfuran with Cl atoms and NO3 radicals) confirmed the H-atom abstraction from the methyl group and from the aromatic ring, respectively. This study represents the first product determination for Cl atoms and NO3 radicals in reactions with 3-methylfuran. The reaction mechanisms and atmospheric implications of the reactions under consideration are also discussed.
Highlights
3-Methylfuran is a furan derivative that is released into the atmosphere during the combustion of fossil fuels, waste, biomass and from isoprene degradation (Graedel et al, 1986; Andreae and Merlet, 2001)
In the work described here the rate coefficients for the reaction of OH and NO3 radicals with 3-methylfuran were determined in order to (i) assess the values previously reported in the literature as some discrepancies are apparent and (ii) to complete the kinetic study of alkylfurans initiated by our research group
These experimental systems were used for the reactions of 3-methylfuran with OH and NO3 radicals and Cl atoms; (b) in a 50 L Pyrex glass cell equipped with eight actinic fluorescent lamps with in situ FTIR analysis for OH and NO3 radicals; and (c) in a 1080 L quartz-glass reactor equipped with 10 low-pressure mercury lamps and 10 superactinic fluorescent lamps coupled with in situ FTIR analysis for Cl atoms
Summary
3-Methylfuran is a furan derivative that is released into the atmosphere during the combustion of fossil fuels, waste, biomass and from isoprene degradation (Graedel et al, 1986; Andreae and Merlet, 2001). In the work described here the rate coefficients for the reaction of OH and NO3 radicals with 3-methylfuran were determined in order to (i) assess the values previously reported in the literature as some discrepancies are apparent and (ii) to complete the kinetic study of alkylfurans initiated by our research group. Products obtained in the reaction of 3-methylfuran with OH and NO3 radicals and with Cl atoms were characterised in order to propose degradation mechanisms for this compound in the atmosphere. This reaction product study was carried out using SPME-GC/FID/MS and FTIR as detection methods
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