Atmos. Chem. Phys. Discuss., 10, 22905-22952, 2010
www.atmos-chem-phys-discuss.net/10/22905/2010/
doi:10.5194/acpd-10-22905-2010
© Author(s) 2010. This work is distributed
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This discussion paper has been under review for the journal Atmospheric Chemistry and Physics (ACP). Please refer to the corresponding final paper in ACP.
Atmospheric degradation of 3-methylfuran: kinetic and products study
A. Tapia1, F. Villanueva1, M. S. Salgado2, B. Cabañas2, E. Martínez2, and P. Martín2
1Instituto de Tecnologías Química y Medioambiental (ITQUIMA), Laboratorio de Contaminación Atmosférica, Universidad de Castilla La Mancha, Avda Camilo José Cela s/n, 13071 Ciudad Real, Spain
2Departamento de Química Física, Facultad de Ciencias Químicas, Universidad de Castilla La Mancha, Avda Camilo José Cela 10, 13071 Ciudad Real, Spain

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 absolute 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. These rate coefficients have been compared with those available in the literature. The products from the reaction of 3-methylfuran with OH, NO3 and Cl atoms in the absence and in the presence of NOx species have also been determined. The main reaction products obtained were chlorinated methylfuranones and hydroxy-methylfuranones for the reaction of 3-methylfuran with Cl atoms, 2-methylbutenedial, 3-methyl-2,5-furanodione and hydroxy-methylfuranones for the reaction of 3-methylfuran with OH and NO3 radicals and also nitrated compounds for 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 both Cl atoms and the NO3 radical in reactions with 3-methylfuran. The reaction mechanisms and atmospheric implications of the reactions under consideration are also discussed.

Citation: Tapia, A., Villanueva, F., Salgado, M. S., Cabañas, B., Martínez, E., and Martín, P.: Atmospheric degradation of 3-methylfuran: kinetic and products study, Atmos. Chem. Phys. Discuss., 10, 22905-22952, doi:10.5194/acpd-10-22905-2010, 2010.
 
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