Articles | Volume 8, issue 8
https://doi.org/10.5194/gmd-8-2553-2015
© Author(s) 2015. This work is distributed under
the Creative Commons Attribution 3.0 License.
the Creative Commons Attribution 3.0 License.
https://doi.org/10.5194/gmd-8-2553-2015
© Author(s) 2015. This work is distributed under
the Creative Commons Attribution 3.0 License.
the Creative Commons Attribution 3.0 License.
Model description paper
| 
13 Aug 2015
Model description paper |
| 13 Aug 2015
Multi-generational oxidation model to simulate secondary organic aerosol in a 3-D air quality model
S. H. Jathar
Civil and Environmental Engineering, University of California, Davis CA, USA
Mechanical Engineering, Colorado State University, Fort Collins CO, USA
C. D. Cappa
Civil and Environmental Engineering, University of California, Davis CA, USA
A. S. Wexler
Civil and Environmental Engineering, University of California, Davis CA, USA
J. H. Seinfeld
Chemical Engineering, California Institute of Technology, Pasadena CA, USA
M. J. Kleeman
CORRESPONDING AUTHOR
Civil and Environmental Engineering, University of California, Davis CA, USA
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Cited
33 citations as recorded by crossref.
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- Modeling of the chemistry in oxidation flow reactors with high initial NO Z. Peng & J. Jimenez https://doi.org/10.5194/acp-17-11991-2017
- Quantifying the effect of organic aerosol aging and intermediate-volatility emissions on regional-scale aerosol pollution in China B. Zhao et al. https://doi.org/10.1038/srep28815
- Look Up: Probing the Vertical Profile of New Particle Formation and Growth in the Planetary Boundary Layer With Models and Observations S. O’Donnell et al. https://doi.org/10.1029/2022JD037525
- Atmospheric Chemistry in a Box or a Bag G. Hidy https://doi.org/10.3390/atmos10070401
- Prenatal exposure to wildfire-related PM2.5 and autism spectrum disorder in children born in California between 2001–2019 K. O’Sharkey et al. https://doi.org/10.1016/j.envint.2026.110131
- New Particle Formation and Growth in Urban Atmospheres: From Observations to Molecular-Level Understanding R. Cai et al. https://doi.org/10.1021/acs.chemrev.5c00684
- Predicting the glass transition temperature and viscosity of secondary organic material using molecular composition W. DeRieux et al. https://doi.org/10.5194/acp-18-6331-2018
- A Scheme for Representing Aromatic Secondary Organic Aerosols in Chemical Transport Models: Application to Source Attribution of Organic Aerosols Over South Korea During the KORUS‐AQ Campaign J. Brewer et al. https://doi.org/10.1029/2022JD037257
- A computationally efficient model to represent the chemistry, thermodynamics, and microphysics of secondary organic aerosols (simpleSOM): model development and application to α-pinene SOA S. Jathar et al. https://doi.org/10.1039/D1EA00014D
- A comprehensive evaluation of enhanced temperature influence on gas and aerosol chemistry in the lamp-enclosed oxidation flow reactor (OFR) system T. Pan et al. https://doi.org/10.5194/amt-17-4915-2024
- Estimating mean molecular weight, carbon number, and OM∕OC with mid-infrared spectroscopy in organic particulate matter samples from a monitoring network A. Yazdani et al. https://doi.org/10.5194/amt-14-4805-2021
- Chemical formation pathways of secondary organic aerosols in the Beijing-Tianjin-Hebei region in wintertime J. Li et al. https://doi.org/10.1016/j.atmosenv.2020.117996
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- Modeling biogenic secondary organic aerosol (BSOA) formation from monoterpene reactions with NO3: A case study of the SOAS campaign using CMAQ M. Qin et al. https://doi.org/10.1016/j.atmosenv.2018.03.042
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- Aging Effects on Biomass Burning Aerosol Mass and Composition: A Critical Review of Field and Laboratory Studies A. Hodshire et al. https://doi.org/10.1021/acs.est.9b02588
- Molecular Tracking the Formation and Aging of Secondary Organic Aerosol from Benzothiazole Photooxidation Y. Zhan et al. https://doi.org/10.1021/acs.est.5c17162
- Time-Resolved Intermediate-Volatility and Semivolatile Organic Compound Emissions from Household Coal Combustion in Northern China S. Cai et al. https://doi.org/10.1021/acs.est.9b00734
- Simulating secondary organic aerosol in a regional air quality model using the statistical oxidation model – Part 1: Assessing the influence of constrained multi-generational ageing S. Jathar et al. https://doi.org/10.5194/acp-16-2309-2016
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- Modeling organic aerosol over Europe in summer conditions with the VBS-GECKO parameterization: sensitivity to secondary organic compound properties and IVOC (intermediate-volatility organic compound) emissions V. Lannuque et al. https://doi.org/10.5194/acp-20-4905-2020
- Insights into the formation of secondary organic aerosols from agricultural residue burning emissions: A review of chamber-based studies S. Joshi et al. https://doi.org/10.1016/j.scitotenv.2024.175932
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- Particle Size Distribution Dynamics Can Help Constrain the Phase State of Secondary Organic Aerosol Y. He et al. https://doi.org/10.1021/acs.est.0c05796
- Vapors Are Lost to Walls, Not to Particles on the Wall: Artifact-Corrected Parameters from Chamber Experiments and Implications for Global Secondary Organic Aerosol K. Bilsback et al. https://doi.org/10.1021/acs.est.2c03967
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- Non-OH chemistry in oxidation flow reactors for the study of atmospheric chemistry systematically examined by modeling Z. Peng et al. https://doi.org/10.5194/acp-16-4283-2016
- Kinetic Modeling of Secondary Organic Aerosol in a Weather-Chemistry Model: Parameterizations, Processes, and Predictions for GOAmazon Y. He et al. https://doi.org/10.1021/acsestair.4c00240
33 citations as recorded by crossref.
- 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 A. Akherati et al. https://doi.org/10.5194/acp-19-4561-2019
- Modeling of the chemistry in oxidation flow reactors with high initial NO Z. Peng & J. Jimenez https://doi.org/10.5194/acp-17-11991-2017
- Quantifying the effect of organic aerosol aging and intermediate-volatility emissions on regional-scale aerosol pollution in China B. Zhao et al. https://doi.org/10.1038/srep28815
- Look Up: Probing the Vertical Profile of New Particle Formation and Growth in the Planetary Boundary Layer With Models and Observations S. O’Donnell et al. https://doi.org/10.1029/2022JD037525
- Atmospheric Chemistry in a Box or a Bag G. Hidy https://doi.org/10.3390/atmos10070401
- Prenatal exposure to wildfire-related PM2.5 and autism spectrum disorder in children born in California between 2001–2019 K. O’Sharkey et al. https://doi.org/10.1016/j.envint.2026.110131
- New Particle Formation and Growth in Urban Atmospheres: From Observations to Molecular-Level Understanding R. Cai et al. https://doi.org/10.1021/acs.chemrev.5c00684
- Predicting the glass transition temperature and viscosity of secondary organic material using molecular composition W. DeRieux et al. https://doi.org/10.5194/acp-18-6331-2018
- A Scheme for Representing Aromatic Secondary Organic Aerosols in Chemical Transport Models: Application to Source Attribution of Organic Aerosols Over South Korea During the KORUS‐AQ Campaign J. Brewer et al. https://doi.org/10.1029/2022JD037257
- A computationally efficient model to represent the chemistry, thermodynamics, and microphysics of secondary organic aerosols (simpleSOM): model development and application to α-pinene SOA S. Jathar et al. https://doi.org/10.1039/D1EA00014D
- A comprehensive evaluation of enhanced temperature influence on gas and aerosol chemistry in the lamp-enclosed oxidation flow reactor (OFR) system T. Pan et al. https://doi.org/10.5194/amt-17-4915-2024
- Estimating mean molecular weight, carbon number, and OM∕OC with mid-infrared spectroscopy in organic particulate matter samples from a monitoring network A. Yazdani et al. https://doi.org/10.5194/amt-14-4805-2021
- Chemical formation pathways of secondary organic aerosols in the Beijing-Tianjin-Hebei region in wintertime J. Li et al. https://doi.org/10.1016/j.atmosenv.2020.117996
- Model–measurement comparison of functional group abundance in α-pinene and 1,3,5-trimethylbenzene secondary organic aerosol formation G. Ruggeri et al. https://doi.org/10.5194/acp-16-8729-2016
- Investigating diesel engines as an atmospheric source of isocyanic acid in urban areas S. Jathar et al. https://doi.org/10.5194/acp-17-8959-2017
- Organic Vapors from Residential Biomass Combustion: Emission Characteristics and Conversion to Secondary Organic Aerosols R. Li et al. https://doi.org/10.3390/atmos15060692
- Modeling biogenic secondary organic aerosol (BSOA) formation from monoterpene reactions with NO3: A case study of the SOAS campaign using CMAQ M. Qin et al. https://doi.org/10.1016/j.atmosenv.2018.03.042
- Simulating secondary organic aerosol from anthropogenic and biogenic precursors: comparison to outdoor chamber experiments, effect of oligomerization on SOA formation and reactive uptake of aldehydes F. Couvidat et al. https://doi.org/10.5194/acp-18-15743-2018
- Aging Effects on Biomass Burning Aerosol Mass and Composition: A Critical Review of Field and Laboratory Studies A. Hodshire et al. https://doi.org/10.1021/acs.est.9b02588
- Molecular Tracking the Formation and Aging of Secondary Organic Aerosol from Benzothiazole Photooxidation Y. Zhan et al. https://doi.org/10.1021/acs.est.5c17162
- Time-Resolved Intermediate-Volatility and Semivolatile Organic Compound Emissions from Household Coal Combustion in Northern China S. Cai et al. https://doi.org/10.1021/acs.est.9b00734
- Simulating secondary organic aerosol in a regional air quality model using the statistical oxidation model – Part 1: Assessing the influence of constrained multi-generational ageing S. Jathar et al. https://doi.org/10.5194/acp-16-2309-2016
- Modelling organic aerosol concentrations and properties during ChArMEx summer campaigns of 2012 and 2013 in the western Mediterranean region M. Chrit et al. https://doi.org/10.5194/acp-17-12509-2017
- Modeling organic aerosol over Europe in summer conditions with the VBS-GECKO parameterization: sensitivity to secondary organic compound properties and IVOC (intermediate-volatility organic compound) emissions V. Lannuque et al. https://doi.org/10.5194/acp-20-4905-2020
- Insights into the formation of secondary organic aerosols from agricultural residue burning emissions: A review of chamber-based studies S. Joshi et al. https://doi.org/10.1016/j.scitotenv.2024.175932
- Fragment ion–functional group relationships in organic aerosols using aerosol mass spectrometry and mid-infrared spectroscopy A. Yazdani et al. https://doi.org/10.5194/amt-15-2857-2022
- Dilution and photooxidation driven processes explain the evolution of organic aerosol in wildfire plumes A. Akherati et al. https://doi.org/10.1039/D1EA00082A
- Modeling the formation and composition of secondary organic aerosol from diesel exhaust using parameterized and semi-explicit chemistry and thermodynamic models S. Eluri et al. https://doi.org/10.5194/acp-18-13813-2018
- Particle Size Distribution Dynamics Can Help Constrain the Phase State of Secondary Organic Aerosol Y. He et al. https://doi.org/10.1021/acs.est.0c05796
- Vapors Are Lost to Walls, Not to Particles on the Wall: Artifact-Corrected Parameters from Chamber Experiments and Implications for Global Secondary Organic Aerosol K. Bilsback et al. https://doi.org/10.1021/acs.est.2c03967
- Simulating secondary organic aerosol in a regional air quality model using the statistical oxidation model – Part 2: Assessing the influence of vapor wall losses C. Cappa et al. https://doi.org/10.5194/acp-16-3041-2016
- Non-OH chemistry in oxidation flow reactors for the study of atmospheric chemistry systematically examined by modeling Z. Peng et al. https://doi.org/10.5194/acp-16-4283-2016
- Kinetic Modeling of Secondary Organic Aerosol in a Weather-Chemistry Model: Parameterizations, Processes, and Predictions for GOAmazon Y. He et al. https://doi.org/10.1021/acsestair.4c00240
Saved (final revised paper)
Latest update: 10 Aug 2026
Short summary
Multi-generational oxidation of organic vapors can significantly alter the mass, chemical composition and properties of secondary organic aerosol (SOA). Here, we implement a semi-explicit, constrained multi-generational oxidation model of Cappa and Wilson (2012) in a 3-D air quality model. When compared with results from a current-generation SOA model, we predict similar mass concentrations of SOA but a different chemical composition. O:C ratios of SOA are in line with those measured globally.
Multi-generational oxidation of organic vapors can significantly alter the mass, chemical...
