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DOI	10.5194/acp-21-13667-2021
	Atmospheric oxidation of α,β-unsaturated ketones: Kinetics and mechanism of the OH radical reaction
	Illmann N.; Gibilisco R.G.; Bejan I.G.; Patroescu-Klotz I.; Wiesen P.
发表日期	2021
ISSN	1680-7316
起始页码	13667
结束页码	13686
卷号	21 期号:17
英文摘要	The OH-radical-initiated oxidation of 3-methyl-3-penten-2-one and 4-methyl-3-penten-2-one was investigated in two atmospheric simulation chambers at 298±3 K and 990±15 mbar using long-path FTIR spectroscopy. The rate coefficients of the reactions of 3-methyl-3-penten-2-one and 4-methyl-3-penten-2-one with OH radicals were determined to be (6.5±1.2)×10-11 and (8.1±1.3)×10-11 cm3molecule-1s-1, respectively. To enlarge the kinetics data pool the rate coefficients of the target species with Cl atoms were determined to be (2.8±0.4)×10-10 and (3.1±0.4)×10-10 cm3molecule-1s-1, respectively. The mechanistic investigation of the OH-initiated oxidation focuses on the RO2+NO reaction. The quantified products were acetoin, acetaldehyde, biacetyl, CO2 and peroxyacetyl nitrate (PAN) for the reaction of 3-methyl-3-penten-2-one with OH radicals and acetone, methyl glyoxal, 2-hydroxy-2-methylpropanal, CO2 and peroxyacetyl nitrate (PAN) for the reaction of 4-methyl-3-penten-2-one with OH, respectively. Based on the calculated product yields an upper limit of 0.15 was determined for the yield of RONO2 derived from the OH reaction of 4-methyl-3-penten-2-one. By contrast, no RONO2 formation was observed for the OH reaction of 3-methyl-3-penten-2-one. Additionally, a simple model is presented to correct product yields for secondary processes. © 2021 Niklas Illmann et al.
语种	英语
scopus关键词	atmospheric chemistry; atmospheric modeling; computer simulation; error correction; hydroxyl radical; ketone; oxidation; reaction kinetics
来源期刊	ATMOSPHERIC CHEMISTRY AND PHYSICS
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/246583
作者单位	Institute for Atmospheric and Environmental Research, Bergische Universität Wuppertal, Wuppertal, 42097, Germany; INQUINOA-UNT-CONICET Institute of Physical Chemistry, Faculty of Biochemistry, Chemistry and Pharmacy, National University of Tucumán, San Lorenzo 456, San Miguel de Tucumán, T4000CAN, Argentina; Faculty of Chemistry, Intgd. Ctr. of Environ. Sci. Studs. in the N. Eastern Region Alexandru Ioan Cuza University of Iasi, 11 Carol I, Iasi, 700506, Romania
推荐引用方式 GB/T 7714	Illmann N.,Gibilisco R.G.,Bejan I.G.,et al. Atmospheric oxidation of α,β-unsaturated ketones: Kinetics and mechanism of the OH radical reaction[J],2021,21(17).
APA	Illmann N.,Gibilisco R.G.,Bejan I.G.,Patroescu-Klotz I.,&Wiesen P..(2021).Atmospheric oxidation of α,β-unsaturated ketones: Kinetics and mechanism of the OH radical reaction.ATMOSPHERIC CHEMISTRY AND PHYSICS,21(17).
MLA	Illmann N.,et al."Atmospheric oxidation of α,β-unsaturated ketones: Kinetics and mechanism of the OH radical reaction".ATMOSPHERIC CHEMISTRY AND PHYSICS 21.17(2021).