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Atmospheric Chemistry of the Aromatic Hydrocarbon Oxidation Products Phenol, o-, m- and /7-Cresol: Product Identification and Aerosol Formation

机译:芳烃氧化产物的大气化学酚,O-,M-和/ 7-甲酚:产品鉴定和气溶胶形成

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Hydroxylated benzenes are important aromatic hydrocarbon photooxidation products. Presently very little is known about their atmospheric chemistry. FT-IR spectroscopy has been used to identify the major products of the OH-radical initiated oxidation of phenol and cresol isomers in a large volume laboratory reaction chamber in the presence of NO_x (part-per-million levels) at 298 ± 2K. The reactions have been found to produce mainly ring-retaining products consisting of (alkyl)benzenediols, (alkyl)benzoquinones and nitro(alkyl)phenols. The (alkyl)benzenediols compose the bulk of the oxidation products with molar yields > 70%. Rate coefficients for the reaction of the identified (alkyl)benzenediols and (alkyl)benzoquinones with OH radicals have also been determined using the relative kinetic technique. The aerosol formation from the OH-radical initiated oxidation of phenol and the cresols has been investigated in the laboratory reactor and also in the large outdoor EUPHORE chamber in Valencia Spain. Substantial aerosol formation was observed in all of the experimental systems and showed a dependence on the NO and H2O partial pressure in the reaction system. The product, kinetic and aerosol data is presented and reaction mechanisms leading to the observed oxidation products are proposed. Implications for the atmospheric oxidation mechanisms of aromatic hydrocarbons with respect to the classification and quantification of secondary organic aerosol (SOA) formation from aromatic hydrocarbons in the troposphere is discussed.
机译:羟基化苯是重要的芳烃光氧化产物。目前很少是关于他们的大气化学而闻名的。 FT-IR光谱已经用于鉴定在298±2K的NO_X(每百万百万级)存在下的大体积实验室反应室中的OH-自由基引发氧化的主要产物。已经发现反应主要生产由(烷基)苯二硫醇,(烷基)苯并醌和硝基(烷基)酚类组成的戒断产物。 (烷基)苯甲酸组成具有摩尔产率> 70%的氧化产物的大部分氧化产物。还使用相对动力学技术确定所鉴定的(烷基)苯二苯胺和(烷基)苯醌与OH基团反应的速率系数。在实验室反应器中研究了从OH-自由基引发的苯酚和甲酚的氧化的气溶胶形成,并在巴伦西亚西班牙的大型室外欣福室中进行了研究。在所有实验系统中观察到大量气溶胶形成,并显示对反应体系中的NO和H2O分压的依赖性。提出了产品,动力学和气溶胶数据,提出了导致观察到的氧化产物的反应机制。讨论了对对流层中芳烃形成的芳烃对芳烃氧化机制的影响,从对流层中芳族烃的分类和定量。

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