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@ARTICLE{Hammes:868097,
      author       = {Hammes, Julia and Lutz, Anna and Mentel, Thomas and Faxon,
                      Cameron and Hallquist, Mattias},
      title        = {{C}arboxylic acids from limonene oxidation by ozone and
                      hydroxyl radicals: insights into mechanisms derived using a
                      {FIGAERO}-{CIMS}},
      journal      = {Atmospheric chemistry and physics},
      volume       = {19},
      number       = {20},
      issn         = {1680-7324},
      address      = {Katlenburg-Lindau},
      publisher    = {EGU},
      reportid     = {FZJ-2019-06688},
      pages        = {13037 - 13052},
      year         = {2019},
      abstract     = {This work presents the results from a flow reactor study on
                      the formation of carboxylic acids from limonene oxidation in
                      the presence of ozone under NOx-free conditions in the dark.
                      A High-Resolution Time-of-Flight acetate Chemical Ionisation
                      Mass Spectrometer (HR-ToF-CIMS) was used in combination with
                      a Filter Inlet for Gases and AEROsols (FIGAERO) to measure
                      the carboxylic acids in the gas and particle phases. The
                      results revealed that limonene oxidation produced large
                      amounts of carboxylic acids which are important contributors
                      to secondary organic aerosol (SOA) formation. The highest 10
                      acids contributed $56 \%–91 \%$ to the total gas-phase
                      signal, and the dominant gas-phase species in most
                      experiments were C8H12O4, C9H14O4, C7H10O4 and C10H16O3. The
                      particle-phase composition was generally more complex than
                      the gas-phase composition, and the highest 10 acids
                      contributed $47 \%–92 \%$ to the total signal. The
                      dominant species in the particle phase were C8H12O5,
                      C9H14O5, C9H12O5 and C10H16O4. The measured concentration of
                      dimers bearing at least one carboxylic acid function in the
                      particle phase was very low, indicating that acidic dimers
                      play a minor role in SOA formation via ozone (O3)/hydroxyl
                      (OH) oxidation of limonene. Based on the various
                      experimental conditions, the acidic compositions for all
                      experiments were modelled using descriptions from the Master
                      Chemical Mechanism (MCM). The experiment and model provided
                      a yield of large (C7–C10) carboxylic acid of the order of
                      $10 \%$ $(2 \%–23 \%$ and $10 \%–15 \%,$
                      respectively). Significant concentrations of 11 acids, from
                      a total of 16 acids, included in the MCM were measured with
                      the CIMS. However, the model predictions were, in some
                      cases, inconsistent with the measurement results, especially
                      regarding the OH dependence. Reaction mechanisms are
                      suggested to fill-in the knowledge gaps. Using the
                      additional mechanisms proposed in this work, nearly
                      $75 \%$ of the observed gas-phase signal in our lowest
                      concentration experiment (8.4 ppb converted, ca. $23 \%$
                      acid yield) carried out under humid conditions can be
                      understood.},
      cin          = {IEK-8},
      ddc          = {550},
      cid          = {I:(DE-Juel1)IEK-8-20101013},
      pnm          = {243 - Tropospheric trace substances and their
                      transformation processes (POF3-243)},
      pid          = {G:(DE-HGF)POF3-243},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000492747200002},
      doi          = {10.5194/acp-19-13037-2019},
      url          = {https://juser.fz-juelich.de/record/868097},
}