Articles | Volume 20, issue 4
https://doi.org/10.5194/acp-20-2489-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-20-2489-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
02 Mar 2020
Research article |
| 02 Mar 2020
| 02 Mar 2020
A robust clustering algorithm for analysis of composition-dependent organic aerosol thermal desorption measurements
Atmospheric Science Graduate Group, University of California, Davis,
CA, USA
now at: School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai, Minhang District, China
Emma L. D'Ambro
Department of Atmospheric Sciences, University of Washington, Seattle,
WA, USA
Department of Chemistry, University of Washington, Seattle, WA, USA
now at: Oak Ridge Institute for Science and Education, US Environmental
Protection Agency, Research Triangle Park, NC, USA
Siegfried Schobesberger
Department of Atmospheric Sciences, University of Washington, Seattle,
WA, USA
Department of Applied Physics, University of Eastern Finland, Kuopio,
Finland
Cassandra J. Gaston
Department of Atmospheric Sciences, University of Washington, Seattle,
WA, USA
now at: Rosenstiel School of Marine & Atmospheric Science, University of
Miami, Miami, FL, USA
Felipe D. Lopez-Hilfiker
Department of Atmospheric Sciences, University of Washington, Seattle,
WA, USA
now at: TofWerk AG, Thun, Switzerland
Jiumeng Liu
Atmospheric Sciences and Global Change Division, Pacific Northwest
National Laboratory, Richland, WA, USA
now at: School of Environment, Harbin Institute of Technology,
Harbin, Heilongjiang, China
John E. Shilling
Atmospheric Sciences and Global Change Division, Pacific Northwest
National Laboratory, Richland, WA, USA
Joel A. Thornton
Department of Atmospheric Sciences, University of Washington, Seattle,
WA, USA
Department of Chemistry, University of Washington, Seattle, WA, USA
Christopher D. Cappa
Atmospheric Science Graduate Group, University of California, Davis,
CA, USA
Department of Civil and Environmental Engineering, University of
California, Davis, CA, USA
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Cited
7 citations as recorded by crossref.
- Predicting gas–particle partitioning coefficients of atmospheric molecules with machine learning E. Lumiaro et al. 10.5194/acp-21-13227-2021
- Deconvolution of FIGAERO–CIMS thermal desorption profiles using positive matrix factorisation to identify chemical and physical processes during particle evaporation A. Buchholz et al. 10.5194/acp-20-7693-2020
- Pathways to Highly Oxidized Products in the Δ3-Carene + OH System E. D’Ambro et al. 10.1021/acs.est.1c06949
- The importance of sesquiterpene oxidation products for secondary organic aerosol formation in a springtime hemiboreal forest L. Barreira et al. 10.5194/acp-21-11781-2021
- Monoterpene Photooxidation in a Continuous-Flow Chamber: SOA Yields and Impacts of Oxidants, NOx, and VOC Precursors J. Liu et al. 10.1021/acs.est.2c02630
- Application of fuzzy c-means clustering for analysis of chemical ionization mass spectra: insights into the gas phase chemistry of NO3-initiated oxidation of isoprene R. Wu et al. 10.5194/amt-17-1811-2024
- Evaluating Organic Aerosol Sources and Evolution with a Combined Molecular Composition and Volatility Framework Using the Filter Inlet for Gases and Aerosols (FIGAERO) J. Thornton et al. 10.1021/acs.accounts.0c00259
7 citations as recorded by crossref.
- Predicting gas–particle partitioning coefficients of atmospheric molecules with machine learning E. Lumiaro et al. 10.5194/acp-21-13227-2021
- Deconvolution of FIGAERO–CIMS thermal desorption profiles using positive matrix factorisation to identify chemical and physical processes during particle evaporation A. Buchholz et al. 10.5194/acp-20-7693-2020
- Pathways to Highly Oxidized Products in the Δ3-Carene + OH System E. D’Ambro et al. 10.1021/acs.est.1c06949
- The importance of sesquiterpene oxidation products for secondary organic aerosol formation in a springtime hemiboreal forest L. Barreira et al. 10.5194/acp-21-11781-2021
- Monoterpene Photooxidation in a Continuous-Flow Chamber: SOA Yields and Impacts of Oxidants, NOx, and VOC Precursors J. Liu et al. 10.1021/acs.est.2c02630
- Application of fuzzy c-means clustering for analysis of chemical ionization mass spectra: insights into the gas phase chemistry of NO3-initiated oxidation of isoprene R. Wu et al. 10.5194/amt-17-1811-2024
- Evaluating Organic Aerosol Sources and Evolution with a Combined Molecular Composition and Volatility Framework Using the Filter Inlet for Gases and Aerosols (FIGAERO) J. Thornton et al. 10.1021/acs.accounts.0c00259
Latest update: 19 Oct 2025
Short summary
We discuss the development and application of a robust clustering method for the interpretation of compound-specific organic aerosol thermal desorption profiles. We demonstrate the utility of clustering for analysis and interpretation of the composition and volatility of secondary organic aerosol. We show that the thermal desorption profiles are represented by only 9–13 distinct clusters, with the number of clusters obtained dependent on the precursor and formation conditions.
We discuss the development and application of a robust clustering method for the interpretation...
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