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@ARTICLE{Stadtler:856153,
      author       = {Stadtler, Scarlet and Kühn, Thomas and Schröder, Sabine
                      and Taraborrelli, Domenico and Schultz, Martin G. and
                      Kokkola, Harri},
      title        = {{I}soprene-derived secondary organic aerosol in the global
                      aerosol–chemistry–climate model
                      {ECHAM}6.3.0–{HAM}2.3–{MOZ}1.0},
      journal      = {Geoscientific model development},
      volume       = {11},
      number       = {8},
      issn         = {1991-9603},
      address      = {Katlenburg-Lindau},
      publisher    = {Copernicus},
      reportid     = {FZJ-2018-05789},
      pages        = {3235 - 3260},
      year         = {2018},
      abstract     = {Within the framework of the global chemistry climate model
                      ECHAM–HAMMOZ, a novel explicit coupling between the
                      sectional aerosol model HAM-SALSA and the chemistry model
                      MOZ was established to form isoprene-derived secondary
                      organic aerosol (iSOA). Isoprene oxidation in the chemistry
                      model MOZ is described by a semi-explicit scheme consisting
                      of 147 reactions embedded in a detailed atmospheric chemical
                      mechanism with a total of 779 reactions. Semi-volatile and
                      low-volatile compounds produced during isoprene
                      photooxidation are identified and explicitly partitioned by
                      HAM-SALSA. A group contribution method was used to estimate
                      their evaporation enthalpies and corresponding saturation
                      vapor pressures, which are used by HAM-SALSA to calculate
                      the saturation concentration of each iSOA precursor. With
                      this method, every single precursor is tracked in terms of
                      condensation and evaporation in each aerosol size bin. This
                      approach led to the identification of dihydroxy
                      dihydroperoxide (ISOP(OOH)2) as a main contributor to iSOA
                      formation. Further, the reactive uptake of isoprene
                      epoxydiols (IEPOXs) and isoprene-derived glyoxal were
                      included as iSOA sources. The parameterization of IEPOX
                      reactive uptake includes a dependency on aerosol pH value.
                      This model framework connecting semi-explicit isoprene
                      oxidation with explicit treatment of aerosol tracers leads
                      to a global annual average isoprene SOA yield of $15\%$
                      relative to the primary oxidation of isoprene by OH, NO3 and
                      ozone. With 445.1Tg (392.1TgC) isoprene emitted, an iSOA
                      source of 138.5Tg (56.7TgC) is simulated. The major part of
                      iSOA in ECHAM–HAMMOZ is produced by IEPOX at 42.4Tg
                      (21.0TgC) and ISOP(OOH)2 at 78.0Tg (27.9TgC). The main sink
                      process is particle wet deposition, which removes 133.6
                      (54.7TgC). The average iSOA burden reaches 1.4Tg (0.6TgC) in
                      the year 2012.},
      cin          = {IEK-8 / JSC / JARA-HPC},
      ddc          = {550},
      cid          = {I:(DE-Juel1)IEK-8-20101013 / I:(DE-Juel1)JSC-20090406 /
                      $I:(DE-82)080012_20140620$},
      pnm          = {243 - Tropospheric trace substances and their
                      transformation processes (POF3-243) / 512 - Data-Intensive
                      Science and Federated Computing (POF3-512) / Chemical
                      processes in the troposphere and their impact on climate
                      $(jicg23_20151101)$ / Earth System Data Exploration (ESDE)},
      pid          = {G:(DE-HGF)POF3-243 / G:(DE-HGF)POF3-512 /
                      $G:(DE-Juel1)jicg23_20151101$ / G:(DE-Juel-1)ESDE},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000441392400001},
      doi          = {10.5194/gmd-11-3235-2018},
      url          = {https://juser.fz-juelich.de/record/856153},
}