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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},
}