Articles | Volume 16, issue 14
https://doi.org/10.5194/acp-16-8729-2016
© Author(s) 2016. This work is distributed under
the Creative Commons Attribution 3.0 License.
the Creative Commons Attribution 3.0 License.
https://doi.org/10.5194/acp-16-8729-2016
© Author(s) 2016. This work is distributed under
the Creative Commons Attribution 3.0 License.
the Creative Commons Attribution 3.0 License.
Model–measurement comparison of functional group abundance in α-pinene and 1,3,5-trimethylbenzene secondary organic aerosol formation
Giulia Ruggeri
ENAC/IIE Swiss Federal Institute of Technology Lausanne (EPFL), Lausanne, Switzerland
Fabian A. Bernhard
ENAC/IIE Swiss Federal Institute of Technology Lausanne (EPFL), Lausanne, Switzerland
Barron H. Henderson
Department of Environmental Engineering Sciences, University of Florida, Gainesville, FL, USA
Satoshi Takahama
CORRESPONDING AUTHOR
ENAC/IIE Swiss Federal Institute of Technology Lausanne (EPFL), Lausanne, Switzerland
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Cited
10 citations as recorded by crossref.
- Technical Note: Development of chemoinformatic tools to enumerate functional groups in molecules for organic aerosol characterization G. Ruggeri & S. Takahama 10.5194/acp-16-4401-2016
- Technical note: Relating functional group measurements to carbon types for improved model–measurement comparisons of organic aerosol composition S. Takahama & G. Ruggeri 10.5194/acp-17-4433-2017
- Analysis of functional groups in atmospheric aerosols by infrared spectroscopy: method development for probabilistic modeling of organic carbon and organic matter concentrations C. Bürki et al. 10.5194/amt-13-1517-2020
- Evaluating the mutagenic potential of aerosol organic compounds using informatics-based screening S. Decesari et al. 10.5194/acp-18-2329-2018
- Chemical composition and hydrolysis of organic nitrate aerosol formed from hydroxyl and nitrate radical oxidation of α-pinene and β-pinene M. Takeuchi & N. Ng 10.5194/acp-19-12749-2019
- Analysis of functional groups in atmospheric aerosols by infrared spectroscopy: systematic intercomparison of calibration methods for US measurement network samples M. Reggente et al. 10.5194/amt-12-2287-2019
- Formation and Evolution of Catechol-Derived SOA Mass, Composition, Volatility, and Light Absorption C. Fredrickson et al. 10.1021/acsearthspacechem.2c00007
- Effects of NO x on the molecular composition of secondary organic aerosol formed by the ozonolysis and photooxidation of α-pinene J. Park et al. 10.1016/j.atmosenv.2017.07.022
- Anthropogenic enhancements to production of highly oxygenated molecules from autoxidation H. Pye et al. 10.1073/pnas.1810774116
- Technical Note: Development of chemoinformatic tools to enumerate functional groups in molecules for organic aerosol characterization G. Ruggeri & S. Takahama 10.5194/acp-16-4401-2016
9 citations as recorded by crossref.
- Technical Note: Development of chemoinformatic tools to enumerate functional groups in molecules for organic aerosol characterization G. Ruggeri & S. Takahama 10.5194/acp-16-4401-2016
- Technical note: Relating functional group measurements to carbon types for improved model–measurement comparisons of organic aerosol composition S. Takahama & G. Ruggeri 10.5194/acp-17-4433-2017
- Analysis of functional groups in atmospheric aerosols by infrared spectroscopy: method development for probabilistic modeling of organic carbon and organic matter concentrations C. Bürki et al. 10.5194/amt-13-1517-2020
- Evaluating the mutagenic potential of aerosol organic compounds using informatics-based screening S. Decesari et al. 10.5194/acp-18-2329-2018
- Chemical composition and hydrolysis of organic nitrate aerosol formed from hydroxyl and nitrate radical oxidation of α-pinene and β-pinene M. Takeuchi & N. Ng 10.5194/acp-19-12749-2019
- Analysis of functional groups in atmospheric aerosols by infrared spectroscopy: systematic intercomparison of calibration methods for US measurement network samples M. Reggente et al. 10.5194/amt-12-2287-2019
- Formation and Evolution of Catechol-Derived SOA Mass, Composition, Volatility, and Light Absorption C. Fredrickson et al. 10.1021/acsearthspacechem.2c00007
- Effects of NO x on the molecular composition of secondary organic aerosol formed by the ozonolysis and photooxidation of α-pinene J. Park et al. 10.1016/j.atmosenv.2017.07.022
- Anthropogenic enhancements to production of highly oxygenated molecules from autoxidation H. Pye et al. 10.1073/pnas.1810774116
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Short summary
Functional groups provide an intermediate level of chemical resolution between full molecular speciation and elemental composition for describing complex mixtures and can be a useful metric in model–measurement comparison of reaction kinetics and secondary organic aerosol formation. We introduce tools to facilitate such comparisons and demonstrate its application in study of the photooxidation of two precursor volatile organic compounds and the gas–particle partitioning of their products.
Functional groups provide an intermediate level of chemical resolution between full molecular...
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