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@BOOK{Nehr:22995,
      author       = {Nehr, Sascha},
      title        = {{M}echanistic studies on the {OH}-initiated atmospheric
                      oxidation of selected aromatic hydrocarbons},
      volume       = {145},
      school       = {Universität Wuppertal},
      type         = {Dr.},
      address      = {Jülich},
      publisher    = {Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag},
      reportid     = {PreJuSER-22995, D 468},
      isbn         = {978-3-89336-804-4},
      series       = {Schriften des Forschungszentrums Jülich : Energie $\&$
                      Umwelt / Energy $\&$ Environment},
      pages        = {VIII, 129 S.},
      year         = {2012},
      note         = {Record converted from JUWEL: 18.07.2013; Universität
                      Wuppertal, Diss., 2012},
      abstract     = {Benzene, toluene, the xylenes, and the trimethylbenzenes
                      are among the most abundant aromatic trace constituents of
                      the atmosphere mainly originating from anthropogenic
                      sources. The OH-initiated atmospheric photo-oxidation of
                      aromatic hydrocarbons is the predominant removal process
                      resulting in the formation of O$_{3}$ and secondary organic
                      aerosol. Therefore, aromatics are important trace
                      constituents regarding air pollution in urban environments.
                      Our understanding of aromatic photo-oxidation processes is
                      far from being complete. This work presents novel approaches
                      for the investigation of OH-initiated atmospheric
                      degradation mechanisms of aromatic hydrocarbons. Firstly,
                      pulsed kinetic studies were performed to investigate the
                      prompt HO$_{2}$ formation from OH + aromatic hydrocarbon
                      reactions under ambient conditions. For these studies, the
                      existing OH reactivity instrument, based on the flash
                      photolysis/laser-induced fluorescence (FP/LIF) technique,
                      was extended to the detection of HO2 radicals. The
                      experimental design allows for the determination of HO$_{2}$
                      formation yields and kinetics. Results of the pulsed kinetic
                      experiments complement previous product studies and help to
                      reduce uncertainties regarding the primary oxidation steps.
                      Secondly, experiments with aromatic hydrocarbons were
                      performed under atmospheric conditions in the outdoor
                      atmosphere simulation chamber SAPHIR (Simulation of
                      Atmospheric PHotochemistry In a large Reaction chamber)
                      located at Forschungszentrum Jülich. The experiments were
                      aimed at the evaluation of up-to-date aromatic degradation
                      schemes of the Master Chemical Mechanism (MCMv3.2). The
                      unique combination of analytical instruments operated at
                      SAPHIR allows for a detailed investigation of HO$_{x}$ and
                      NO$_{x}$ budgets and for the determination of primary
                      phenolic oxidation product yields. MCMv3.2 deficiencies were
                      identified and most likely originate from short-comings in
                      the mechanistic representation of ring fragmentation
                      channels. These shortcomings relate to the formation of
                      peroxy radicals, the NO to NO$_{2}$ conversion, and the O3
                      production. Conceptual ideas were presented to overcome
                      these MCMv3.2 shortcomings and an improved reaction
                      mechanism was constructed. However, major eficiencies still
                      remain that require further investigations. Regarding the
                      primary oxidation steps, the results of this work confirm
                      the current MCMv3.2 recommendations. Proposed primary
                      oxidation products are, e.g., phenols and epoxides. Phenol
                      yields are in line with the MCMv3.2 values. The results of
                      the complementary pulsed kinetic studies are consistent with
                      the proposed combined formation yields of phenols plus
                      epoxides. So far, epoxides have only been identified
                      tentatively and the results of this work provide more
                      quantitative information.},
      cin          = {IEK-8},
      ddc          = {500},
      cid          = {I:(DE-Juel1)IEK-8-20101013},
      pnm          = {Atmosphäre und Klima},
      pid          = {G:(DE-Juel1)FUEK491},
      typ          = {PUB:(DE-HGF)3},
      url          = {https://juser.fz-juelich.de/record/22995},
}