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Experimental and theoretical determination of the temperature dependent rate constant for the reaction of hydroxyl radicals with some volatile organic compounds.

机译：羟基自由基与某些挥发性有机化合物反应的温度相关速率常数的实验和理论确定。

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摘要

Air pollution and in particular photochemical smog is still an important environmental problem due to its impact on human health. One of the main contributors is tropospheric ozone, the primary component of photochemical smog. Some of the main illnesses related to high ozone levels are respiratory infections and lung inflammation as well as exacerbating illnesses such as asthma from both acute and chronic exposure. Controlling ozone levels is challenging, because ozone is not directly emitted into the atmosphere but is a secondary pollutant produced from chemical reactions of primary emissions, both biogenic and anthropogenic. Thus control of ozone in the troposphere requires an accurate understanding of the chemistry leading to its production. The primary step in the production of tropospheric ozone is the reaction of hydroxyl radicals with volatile organic compounds. For this reason a thorough understanding of the reactions of individual volatile organic compounds with hydroxyl radicals is needed. This dissertation focuses on the reaction of the hydroxyl radical with three volatile organic compounds: allyl alcohol, 1-propanol and propionaldehyde. These reactions are studied using a discharge-flow tube technique in addition to laser induced fluorescence detection of the OH radical. In addition, theoretical computational calculations of the potential energy surface of these reactions were performed to give insight into the reaction mechanisms.
机译：空气污染，尤其是光化学烟雾，由于其对人类健康的影响，仍然是一个重要的环境问题。对流层臭氧是主要的贡献者之一，对流层臭氧是光化学烟雾的主要成分。与高臭氧水平有关的一些主要疾病是呼吸道感染和肺部炎症，以及由于急性和慢性暴露而加剧的疾病，例如哮喘。控制臭氧水平具有挑战性，因为臭氧不是直接排放到大气中，而是由生物和人为主要排放物的化学反应产生的次级污染物。因此，控制对流层中的臭氧需要对导致其产生的化学反应有准确的了解。对流层臭氧产生的第一步是羟基与挥发性有机化合物的反应。因此，需要彻底了解各个挥发性有机化合物与羟基自由基的反应。本文主要研究羟基自由基与三种挥发性有机化合物的反应：烯丙醇，1-丙醇和丙醛。除了使用激光诱导的OH自由基荧光检测外，还使用放电流管技术研究了这些反应。此外，对这些反应的势能面进行了理论计算，以深入了解反应机理。

著录项

  • 作者

    Carey, Paul E., Jr.;

  • 作者单位

    Indiana University.;

  • 授予单位 Indiana University.;
  • 学科 Atmospheric chemistry.;Physical chemistry.
  • 学位 Ph.D.
  • 年度 2015
  • 页码 171 p.
  • 总页数 171
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

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