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@ARTICLE{Stadtler:838696,
      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 a global
                      aerosol chemistry climate model},
      journal      = {Geoscientific model development discussions},
      volume       = {244},
      issn         = {1991-962X},
      address      = {Katlenburg-Lindau},
      publisher    = {Copernicus},
      reportid     = {FZJ-2017-07257},
      pages        = {1 - 35},
      year         = {2017},
      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. Low volatile
                      compounds (LVOC) 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 LVOC. With this method, every single
                      precursor is tracked in terms of condensation and
                      evaporation in each aerosol size bin. This approach lead to
                      the identification of ISOP(OOH)2 as a main contributor to
                      iSOA formation. Further, reactive uptake of isoprene
                      epoxidiols (IEPOX) 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 isoprene SOA yield of $16 \%$ relative
                      to the primary oxidation of isoprene by OH, NO3, and ozone.
                      With 445 Tg (392 TgC) isoprene emitted, an iSOA source
                      of 148 Tg (61 TgC) is simulated. The major part of iSOA
                      in ECHAM-HAMMOZ is produced by IEPOX (24.4 TgC) and
                      ISOP(OOH)2 (28.3 TgC). The main sink process is particle
                      wet deposition which removes 143 Tg (59 TgC). The iSOA
                      burden reaches 1.6 Tg (0.7 TgC) in the year 2012.},
      cin          = {IEK-8 / JSC},
      ddc          = {910},
      cid          = {I:(DE-Juel1)IEK-8-20101013 / I:(DE-Juel1)JSC-20090406},
      pnm          = {243 - Tropospheric trace substances and their
                      transformation processes (POF3-243) / 512 - Data-Intensive
                      Science and Federated Computing (POF3-512) / HITEC -
                      Helmholtz Interdisciplinary Doctoral Training in Energy and
                      Climate Research (HITEC) (HITEC-20170406) / Earth System
                      Data Exploration (ESDE)},
      pid          = {G:(DE-HGF)POF3-243 / G:(DE-HGF)POF3-512 /
                      G:(DE-Juel1)HITEC-20170406 / G:(DE-Juel-1)ESDE},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.5194/gmd-2017-244},
      url          = {https://juser.fz-juelich.de/record/838696},
}