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@ARTICLE{Rosanka:902277,
author = {Rosanka, Simon and Sander, Rolf and Wahner, Andreas and
Taraborrelli, Domenico},
title = {{O}xidation of low-molecular weight organic compounds in
cloud droplets: development of the {JAMOC} chemical
mechanism in {CAABA}/{MECCA} (version 4.5.0gmdd)},
journal = {Geoscientific model development discussions},
volume = {},
issn = {1991-9611},
address = {Katlenburg-Lindau},
publisher = {Copernicus},
reportid = {FZJ-2021-04140},
pages = {},
year = {2020},
abstract = {Abstract. The Jülich Aqueous-phase Mechanism of Organic
Chemistry (JAMOC) is developed and implemented in the Module
Efficiently Calculating the Chemistry of the Atmosphere
(MECCA, version 4.5.0gmdd1). JAMOC is an explicit in-cloud
oxidation scheme for oxygenated volatile organic compounds
(OVOCs), suitable for global model applications. It is based
on a subset of the comprehensive CLoud Explicit
Physico-chemical Scheme (CLEPS, version 1.0). The phase
transfer of species containing up to ten carbon atoms is
included, and a selection of species containing up to four
carbon atoms reacts in the aqueous-phase. In addition, the
following main advances are implemented: (1) simulating
hydration and dehydration explicitly, (2) taking
oligomerisation of formaldehyde, glyoxal and methylglyoxal
into account, (3) adding further photolysis reactions, and
(4) considering gas-phase oxidation of new outgassed
species. The implementation of JAMOC in MECCA makes a
detailed in-cloud OVOC oxidation model readily available for
box as well as for regional and global simulations that are
affordable with modern supercomputing facilities. The new
mechanism is tested inside the box-model Chemistry As A
Boxmodel Application (CAABA), yielding reduced gas-phase
concentrations of most oxidants and OVOCs except for the
nitrogen oxides. 1 The name of this version indicates that
it is used for the interactive discussion in GMDD. If
necessary, bug fixes can still be made. We plan to release
the final version CAABA/MECCA-4.5.0 together with the final
paper in GMD.},
cin = {IEK-8},
ddc = {910},
cid = {I:(DE-Juel1)IEK-8-20101013},
pnm = {2111 - Air Quality (POF4-211)},
pid = {G:(DE-HGF)POF4-2111},
typ = {PUB:(DE-HGF)16},
doi = {10.5194/gmd-2020-337},
url = {https://juser.fz-juelich.de/record/902277},
}