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Gas-phase ozonolysis of trans-2-hexenal: Kinetics, products, mechanism and SOA formation
Atmospheric Environment ( IF 4.2 ) Pub Date : 2021-03-19 , DOI: 10.1016/j.atmosenv.2021.118344
A. Grira , C. Kalalian , J.N. Illmann , I. Patroescu-Klotz , G. El Dib , P. Coddeville , A. Canosa , C. Coeur , P. Wiesen , E. Roth , A. Chakir , A. Tomas

In this work, kinetics, product formation, chemical mechanism and SOA formation for the gas-phase reaction of trans-2-hexenal (T2H) with O3 are examined using four complementary experimental setups at 298 ± 2 K and atmospheric pressure. Product studies were conducted in two contrasted experimental conditions, with and without OH radical scavenger. The ozonolysis rate constant was determined in both static and dynamic reactors. An average reaction rate constant of (1.52 ± 0.19) × 10−18 cm3 molecule−1 s−1 was determined. Glyoxal and butanal were identified as main products with molar yields of 59 ± 15% and 36 ± 9%, respectively, in the presence of an OH scavenger. Slightly lower values were obtained in the absence of scavenger. Acetaldehyde, propanal and 2-hydroxybutanal were also identified and quantified. A reaction mechanism was proposed based on the observed products. SOA formation was observed with aerosol mass yields >13% for SOA masses of 400 μg m−3. This work demonstrates for the first time that 2-alkenals ozonolysis can be a source of SOA in the atmosphere.



中文翻译:

反式-2-己烯的气相臭氧分解:动力学,产物,机理和SOA形成

在这项工作中,使用298±2 K和大气压下的四个互补实验装置,研究了反式-2-己烯(T2H)与O 3气相反应的动力学,产物形成,化学机理和SOA形成。在有和没有OH自由基清除剂的两个对比实验条件下进行了产品研究。在静态和动态反应器中均确定了臭氧分解速率常数。平均反应速率常数为(1.52±0.19)×10 -18  cm 3分子-1 s -1被确定。在OH清除剂的存在下,乙二醛和丁醛被确定为主要产物,其摩尔产率分别为59±15%和36±9%。在没有清除剂的情况下获得了稍低的值。还鉴定并定量了乙醛,丙醛和2-羟基丁醛。根据观察到的产物提出了一种反应机理。对于400μgm -3的SOA质量,观察到以气溶胶质量产率> 13%的SOA形成。这项工作首次证明了2烯烃的臭氧分解可以成为大气中SOA的来源。

更新日期:2021-04-04
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