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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},
}