A lumped species approach for the simulation of secondary organic aerosol production from intermediate-volatility organic compounds (IVOCs): application to road transport in PMCAMx-iv (v1.0)
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Published:2022-10-21
Issue:20
Volume:15
Page:7731-7749
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ISSN:1991-9603
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Container-title:Geoscientific Model Development
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language:en
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Short-container-title:Geosci. Model Dev.
Author:
Manavi Stella E. I.,Pandis Spyros N.
Abstract
Abstract. Secondary organic aerosol (SOA) is formed in the
atmosphere through the oxidation and condensation of organic compounds.
Intermediate-volatility compounds (IVOCs), compounds with effective saturation
concentration (C∗) at 298 K between 103 and 106 µg m−3, have high SOA yields and can be important SOA precursors. The
first efforts to simulate IVOCs in chemical transport models (CTMs) used the
volatility basis set (VBS), a highly parametrized scheme that oversimplifies
their chemistry. In this work we propose a more detailed approach for
simulating IVOCs in CTMs, treating them as lumped species that retain their
chemical characteristics. Specifically, we introduce four new lumped species
representing large alkanes, two lumped species representing polyaromatic
hydrocarbons (PAHs) and one species representing large aromatics, all in the
IVOC range. We estimate IVOC emissions from road transport using existing
estimates of volatile organic compound (VOC) emissions and emission factors
of individual IVOCs from experimental studies. Over the European domain, for
the simulated period of May 2008, estimated IVOC emissions from road
transport were about 21 Mmol d−1, a factor of 8 higher than emissions
used in previous VBS applications. The IVOC emissions from diesel vehicles
were significantly higher than those from gasoline ones. SOA yields under
low-NOx and high-NOx conditions for the lumped IVOC species were
estimated based on recent smog chamber studies. Large cyclic alkane
compounds have both high yields and high emissions, making them an
important, yet understudied, class of IVOCs.
Funder
H2020 Societal Challenges Hellenic Foundation for Research and Innovation
Publisher
Copernicus GmbH
Reference68 articles.
1. ACEA: Vehicles in use – Europe 2017, ACEA Report, https://www.acea.auto/uploads/statistic_documents/ACEA_Report_Vehicles_in_use-Europe_2017.pdf (last access: 18 October 2022), 2017. 2. Akherati, A., Cappa, C. D., Kleeman, M. J., Docherty, K. S., Jimenez, J. L., Griffith, S. M., Dusanter, S., Stevens, P. S., and Jathar, S. H.: Simulating secondary organic aerosol in a regional air quality model using the statistical oxidation model – Part 3: Assessing the influence of semi-volatile and intermediate-volatility organic compounds and NOx, Atmos. Chem. Phys., 19, 4561–4594, https://doi.org/10.5194/acp-19-4561-2019, 2019. 3. Ananthula, R., Yamada, T., and Taylor, P. H.: Kinetics of OH radical
reaction with anthracene and anthracene-d10, J. Phys. Chem. A, 110,
3559–3566, https://doi.org/10.1021/jp054301c, 2006. 4. Atkinson, R. and Arey, J.: Atmospheric degradation of volatile organic
compounds, Chem. Rev., 103, 4605–4638, https://doi.org/10.1021/cr0206420,
2003. 5. Aumont, B., Valorso, R., Mouchel-Vallon, C., Camredon, M., Lee-Taylor, J., and Madronich, S.: Modeling SOA formation from the oxidation of intermediate volatility n-alkanes, Atmos. Chem. Phys., 12, 7577–7589, https://doi.org/10.5194/acp-12-7577-2012, 2012.
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