对流层中氯原子光氧化2-甲氧基乙醇的动力学和机理。

IF 2.8 2区 化学 Q3 CHEMISTRY, PHYSICAL
Jesús A Vila, Luciano Varela, Javier A Barrera, Fabio E Malanca
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引用次数: 0

摘要

用红外光谱法首次测定了2-甲氧基乙醇(2ME, CH3OCH2CH2OH)与气相氯原子在298 K、常压条件下的反应速率系数。结果为(1.4±0.2)× 10-10 cm3分子-1 s-1。该值与构效关系(SAR)值的比较显示出良好的一致性,并使用参考文献中报道的类似化合物的速率系数进行了反应性相关分析。氯原子攻击2-甲氧基乙醇分子引发的降解产物被鉴定为2-甲氧基乙醛、甲酸、甲酸甲酯(41%)、2-羟乙酸甲酯(2.5%)和2-甲酸羟乙酯(20%)。根据这些产物和动力学分析,提出了反应机理。最后,考虑到2-甲氧基乙醇与羟基(HO•)自由基和氯原子的反应性及其POCP值,分析了2-甲氧基乙醇排放对环境的影响。结果表明,2ME的寿命受其与HO•自由基的反应性控制。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Kinetic and Mechanism of the Photo-Oxidation of 2-Methoxyethanol with Chlorine Atoms in the Troposphere.

The rate coefficient for the reaction between 2-methoxyethanol (2ME, CH3OCH2CH2OH) and chlorine atoms in the gas phase has been determined for the first time by the relative method at 298 K and atmospheric pressure using infrared spectroscopy. This yielded a value of (1.4 ± 0.2) × 10-10 cm3 molecule-1 s-1. A comparison of this value with that derived from the structure-activity relationship (SAR) shows good concordance, and a reactivity correlation analysis using the rate coefficients reported in the bibliography for similar compounds was also included. The degradation products initiated by the attack of chlorine atoms to the 2-methoxyethanol molecule were identified as 2-methoxyacetaldehyde, formic acid, methyl formate (41%), methyl 2-hydroxyacetate (2.5%), and 2-hydroxyethyl formate (20%). From these products and the kinetic analysis, the reaction mechanism was proposed. Finally, the environmental implications of 2-methoxyethanol emissions were analyzed, taking into account its reactivity with hydroxyl (HO) radicals and chlorine atoms as well as its POCP values. The results showed that the lifetime of 2ME is controlled by its reactivity with HO radicals.

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来源期刊
The Journal of Physical Chemistry A
The Journal of Physical Chemistry A 化学-物理:原子、分子和化学物理
CiteScore
5.20
自引率
10.30%
发文量
922
审稿时长
1.3 months
期刊介绍: The Journal of Physical Chemistry A is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.
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