Articles | Volume 20, issue 13
https://doi.org/10.5194/acp-20-8201-2020
© 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-20-8201-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
16 Jul 2020
Research article |
| 16 Jul 2020
| 16 Jul 2020
Predicting secondary organic aerosol phase state and viscosity and its effect on multiphase chemistry in a regional-scale air quality model
Ryan Schmedding
Department of Environmental Science and Engineering, The University of North
Carolina at Chapel Hill, Chapel Hill, NC 27516, USA
present address: Department of Atmospheric and Oceanic Science, McGill
University, Montreal, H3A 2K6, Canada
Quazi Z. Rasool
Department of Environmental Science and Engineering, The University of North
Carolina at Chapel Hill, Chapel Hill, NC 27516, USA
present address: Pacific Northwest National Laboratory, Richland, WA 99354, USA
Yue Zhang
Department of Environmental Science and Engineering, The University of North
Carolina at Chapel Hill, Chapel Hill, NC 27516, USA
Aerodyne Research, Inc., Billerica, MA 01821, USA
Havala O. T. Pye
Department of Environmental Science and Engineering, The University of North
Carolina at Chapel Hill, Chapel Hill, NC 27516, USA
Office of Research and Development, Environmental Protection Agency,
Research Triangle Park, Durham, NC 27709, USA
Haofei Zhang
Department of Chemistry, University of California at Riverside, Riverside,
CA 92521, USA
Yuzhi Chen
Department of Environmental Science and Engineering, The University of North
Carolina at Chapel Hill, Chapel Hill, NC 27516, USA
Jason D. Surratt
Department of Environmental Science and Engineering, The University of North
Carolina at Chapel Hill, Chapel Hill, NC 27516, USA
Felipe D. Lopez-Hilfiker
Department of Atmospheric Sciences, University of Washington, Seattle, WA
98195, USA
present address: Tofwerk AG, 3600 Thun, Switzerland
Joel A. Thornton
Department of Atmospheric Sciences, University of Washington, Seattle, WA
98195, USA
Allen H. Goldstein
Department of Environmental Science, Policy, and Management, University of
California, Berkeley, CA 94720, USA
Department of Civil and Environmental Engineering, University of California,
Berkeley, CA 94720, USA
William Vizuete
CORRESPONDING AUTHOR
Department of Environmental Science and Engineering, The University of North
Carolina at Chapel Hill, Chapel Hill, NC 27516, USA
Viewed
Total article views: 3,734 (including HTML, PDF, and XML)
Cumulative views and downloads
(calculated since 07 Nov 2019)
| HTML | XML | Total | Supplement | BibTeX | EndNote | |
|---|---|---|---|---|---|---|
| 2,648 | 1,020 | 66 | 3,734 | 311 | 47 | 88 |
- HTML: 2,648
- PDF: 1,020
- XML: 66
- Total: 3,734
- Supplement: 311
- BibTeX: 47
- EndNote: 88
Total article views: 2,975 (including HTML, PDF, and XML)
Cumulative views and downloads
(calculated since 16 Jul 2020)
| HTML | XML | Total | Supplement | BibTeX | EndNote | |
|---|---|---|---|---|---|---|
| 2,215 | 703 | 57 | 2,975 | 181 | 36 | 69 |
- HTML: 2,215
- PDF: 703
- XML: 57
- Total: 2,975
- Supplement: 181
- BibTeX: 36
- EndNote: 69
Total article views: 759 (including HTML, PDF, and XML)
Cumulative views and downloads
(calculated since 07 Nov 2019)
| HTML | XML | Total | Supplement | BibTeX | EndNote | |
|---|---|---|---|---|---|---|
| 433 | 317 | 9 | 759 | 130 | 11 | 19 |
- HTML: 433
- PDF: 317
- XML: 9
- Total: 759
- Supplement: 130
- BibTeX: 11
- EndNote: 19
Viewed (geographical distribution)
Total article views: 3,734 (including HTML, PDF, and XML)
Thereof 3,485 with geography defined
and 249 with unknown origin.
Total article views: 2,975 (including HTML, PDF, and XML)
Thereof 2,930 with geography defined
and 45 with unknown origin.
Total article views: 759 (including HTML, PDF, and XML)
Thereof 555 with geography defined
and 204 with unknown origin.
| Country | # | Views | % |
|---|
| Country | # | Views | % |
|---|
| Country | # | Views | % |
|---|
| Total: | 0 |
| HTML: | 0 |
| PDF: | 0 |
| XML: | 0 |
- 1
1
| Total: | 0 |
| HTML: | 0 |
| PDF: | 0 |
| XML: | 0 |
- 1
1
| Total: | 0 |
| HTML: | 0 |
| PDF: | 0 |
| XML: | 0 |
- 1
1
Cited
45 citations as recorded by crossref.
- 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. 10.1039/D1EA00014D
- Applying a Phase-Separation Parameterization in Modeling Secondary Organic Aerosol Formation from Acid-Driven Reactive Uptake of Isoprene Epoxydiols under Humid Conditions Y. Chen et al. 10.1021/acsestair.4c00002
- Exploring the Nanostructures Accessible to an Organic Surfactant Atmospheric Aerosol Proxy A. Milsom et al. 10.1021/acs.jpca.2c04611
- Fluorescence Aerosol Flow Tube Spectroscopy to Detect Liquid–Liquid Phase Separation P. Ohno et al. 10.1021/acsearthspacechem.1c00061
- Observation-constrained kinetic modeling of isoprene SOA formation in the atmosphere C. Shen et al. 10.5194/acp-24-6153-2024
- A thermodynamic framework for bulk–surface partitioning in finite-volume mixed organic–inorganic aerosol particles and cloud droplets R. Schmedding & A. Zuend 10.5194/acp-23-7741-2023
- Direct observation and assessment of phase states of ambient and lab-generated sub-micron particles upon humidification Z. Cheng et al. 10.1039/D1RA02530A
- Initial pH Governs Secondary Organic Aerosol Phase State and Morphology after Uptake of Isoprene Epoxydiols (IEPOX) Z. Lei et al. 10.1021/acs.est.2c01579
- A new hot-stage microscopy technique for measuring temperature-dependent viscosities of aerosol particles and its application to farnesene secondary organic aerosol K. Kiland et al. 10.5194/amt-15-5545-2022
- Chemical characterization of microplastic particles formed in airborne waste discharged from sewer pipe repairs B. Peterson et al. 10.1039/D3EM00193H
- Diurnal and Seasonal Variations in the Phase State of Secondary Organic Aerosol Material over the Contiguous US Simulated in CMAQ Y. Li et al. 10.1021/acsearthspacechem.1c00094
- Humidity-Dependent Viscosity of Secondary Organic Aerosol from Ozonolysis of β-Caryophyllene: Measurements, Predictions, and Implications A. Maclean et al. 10.1021/acsearthspacechem.0c00296
- Global Distribution of the Phase State and Mixing Times within Secondary Organic Aerosol Particles in the Troposphere Based on Room-Temperature Viscosity Measurements A. Maclean et al. 10.1021/acsearthspacechem.1c00296
- Viscosity and phase state of aerosol particles consisting of sucrose mixed with inorganic salts Y. Song et al. 10.5194/acp-21-10215-2021
- Dynamics of Liquid–Liquid Phase Separation in Submicrometer Aerosol T. Kucinski et al. 10.1021/acs.jpca.1c01985
- Modeling the Impact of the Organic Aerosol Phase State on Multiphase OH Reactive Uptake Kinetics and the Resultant Heterogeneous Oxidation Timescale of Organic Aerosol in the Amazon Rainforest Q. Rasool et al. 10.1021/acsearthspacechem.2c00366
- Organic acid evaporation kinetics from aqueous aerosols: implications for aerosol buffering capacity in the atmosphere K. Angle et al. 10.1039/D2EA00092J
- Particle phase-state variability in the North Atlantic free troposphere during summertime is determined by atmospheric transport patterns and sources Z. Cheng et al. 10.5194/acp-22-9033-2022
- Mechanisms of soot-aggregate restructuring and compaction J. Corbin et al. 10.1080/02786826.2022.2137385
- From mining to fire outbreaks: The relative impact of pollutants sources on air quality in the metropolitan area of Belo Horizonte O. Sobrinho et al. 10.1016/j.apr.2024.102118
- Isoprene Epoxydiol-Derived Sulfated and Nonsulfated Oligomers Suppress Particulate Mass Loss during Oxidative Aging of Secondary Organic Aerosol N. Armstrong et al. 10.1021/acs.est.2c03200
- Viscosity, Glass Formation, and Mixing Times within Secondary Organic Aerosol from Biomass Burning Phenolics K. Kiland et al. 10.1021/acsearthspacechem.3c00039
- Simulated phase state and viscosity of secondary organic aerosols over China Z. Zhang et al. 10.5194/acp-24-4809-2024
- Measurements of the partitioning of nitric acid and sulfuric acid in aqueous/organic phase-separated systems B. Deming & P. Ziemann 10.1039/D0EA00003E
- Microscopic observation of a liquid-liquid-(semi)solid phase in polluted PM2.5 S. Gaikwad et al. 10.3389/fenvs.2022.947924
- Effects of volatility, viscosity, and non-ideality on particle–particle mixing timescales of secondary organic aerosols M. Schervish et al. 10.1080/02786826.2023.2256827
- Sunlight can convert atmospheric aerosols into a glassy solid state and modify their environmental impacts V. Baboomian et al. 10.1073/pnas.2208121119
- Nonequilibrium Behavior in Isoprene Secondary Organic Aerosol Y. Chen et al. 10.1021/acs.est.3c03532
- Imaging of pH distribution inside individual microdroplet by stimulated Raman microscopy K. Gong et al. 10.1073/pnas.2219588120
- Nitrogen‐Containing Functional Groups Dominate the Molecular Absorption of Water‐Soluble Humic‐Like Substances in Air From Nanjing, China Revealed by the Machine Learning Combined FT‐ICR‐MS Technique Y. Hong et al. 10.1029/2023JD039459
- Representation of Multiphase OH Oxidation of Amorphous Organic Aerosol for Tropospheric Conditions J. Li & D. Knopf 10.1021/acs.est.0c07668
- Emerging investigator series: surfactants, films, and coatings on atmospheric aerosol particles: a review K. Wokosin et al. 10.1039/D2EA00003B
- Size Dependence of Liquid–Liquid Phase Separation by in Situ Study of Flowing Submicron Aerosol Particles P. Ohno et al. 10.1021/acs.jpca.2c08224
- Modeling Volatility-Based Aerosol Phase State Predictions in the Amazon Rainforest Q. Rasool et al. 10.1021/acsearthspacechem.1c00255
- Modeling the Size Distribution and Chemical Composition of Secondary Organic Aerosols during the Reactive Uptake of Isoprene-Derived Epoxydiols under Low-Humidity Condition M. Octaviani et al. 10.1021/acsearthspacechem.1c00303
- Evaluation of Biogenic Organic Aerosols in the Amazon Rainforest Using WRF‐Chem With MOSAIC J. Mao et al. 10.1029/2021JD034913
- Viscosity and liquid–liquid phase separation in healthy and stressed plant SOA N. Smith et al. 10.1039/D0EA00020E
- Determining the Role of Acidity, Fate and Formation of IEPOX-Derived SOA in CMAQ P. Vasilakos et al. 10.3390/atmos12060707
- Molecular-scale description of interfacial mass transfer in phase-separated aqueous secondary organic aerosol M. Lbadaoui-Darvas et al. 10.5194/acp-21-17687-2021
- Modeling Secondary Organic Aerosols in China: State of the Art and Perspectives J. Li et al. 10.1007/s40726-022-00246-3
- Predicting glass transition temperature and melting point of organic compounds via machine learning and molecular embeddings T. Galeazzo & M. Shiraiwa 10.1039/D1EA00090J
- Morphology and Viscosity Changes after Reactive Uptake of Isoprene Epoxydiols in Submicrometer Phase Separated Particles with Secondary Organic Aerosol Formed from Different Volatile Organic Compounds Z. Lei et al. 10.1021/acsearthspacechem.1c00156
- Prediction of Phase State of Secondary Organic Aerosol Internally Mixed with Aqueous Inorganic Salts Z. Yu et al. 10.1021/acs.jpca.1c06773
- Impact of phase state and non-ideal mixing on equilibration timescales of secondary organic aerosol partitioning M. Schervish & M. Shiraiwa 10.5194/acp-23-221-2023
- Predictions of the glass transition temperature and viscosity of organic aerosols from volatility distributions Y. Li et al. 10.5194/acp-20-8103-2020
44 citations as recorded by crossref.
- 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. 10.1039/D1EA00014D
- Applying a Phase-Separation Parameterization in Modeling Secondary Organic Aerosol Formation from Acid-Driven Reactive Uptake of Isoprene Epoxydiols under Humid Conditions Y. Chen et al. 10.1021/acsestair.4c00002
- Exploring the Nanostructures Accessible to an Organic Surfactant Atmospheric Aerosol Proxy A. Milsom et al. 10.1021/acs.jpca.2c04611
- Fluorescence Aerosol Flow Tube Spectroscopy to Detect Liquid–Liquid Phase Separation P. Ohno et al. 10.1021/acsearthspacechem.1c00061
- Observation-constrained kinetic modeling of isoprene SOA formation in the atmosphere C. Shen et al. 10.5194/acp-24-6153-2024
- A thermodynamic framework for bulk–surface partitioning in finite-volume mixed organic–inorganic aerosol particles and cloud droplets R. Schmedding & A. Zuend 10.5194/acp-23-7741-2023
- Direct observation and assessment of phase states of ambient and lab-generated sub-micron particles upon humidification Z. Cheng et al. 10.1039/D1RA02530A
- Initial pH Governs Secondary Organic Aerosol Phase State and Morphology after Uptake of Isoprene Epoxydiols (IEPOX) Z. Lei et al. 10.1021/acs.est.2c01579
- A new hot-stage microscopy technique for measuring temperature-dependent viscosities of aerosol particles and its application to farnesene secondary organic aerosol K. Kiland et al. 10.5194/amt-15-5545-2022
- Chemical characterization of microplastic particles formed in airborne waste discharged from sewer pipe repairs B. Peterson et al. 10.1039/D3EM00193H
- Diurnal and Seasonal Variations in the Phase State of Secondary Organic Aerosol Material over the Contiguous US Simulated in CMAQ Y. Li et al. 10.1021/acsearthspacechem.1c00094
- Humidity-Dependent Viscosity of Secondary Organic Aerosol from Ozonolysis of β-Caryophyllene: Measurements, Predictions, and Implications A. Maclean et al. 10.1021/acsearthspacechem.0c00296
- Global Distribution of the Phase State and Mixing Times within Secondary Organic Aerosol Particles in the Troposphere Based on Room-Temperature Viscosity Measurements A. Maclean et al. 10.1021/acsearthspacechem.1c00296
- Viscosity and phase state of aerosol particles consisting of sucrose mixed with inorganic salts Y. Song et al. 10.5194/acp-21-10215-2021
- Dynamics of Liquid–Liquid Phase Separation in Submicrometer Aerosol T. Kucinski et al. 10.1021/acs.jpca.1c01985
- Modeling the Impact of the Organic Aerosol Phase State on Multiphase OH Reactive Uptake Kinetics and the Resultant Heterogeneous Oxidation Timescale of Organic Aerosol in the Amazon Rainforest Q. Rasool et al. 10.1021/acsearthspacechem.2c00366
- Organic acid evaporation kinetics from aqueous aerosols: implications for aerosol buffering capacity in the atmosphere K. Angle et al. 10.1039/D2EA00092J
- Particle phase-state variability in the North Atlantic free troposphere during summertime is determined by atmospheric transport patterns and sources Z. Cheng et al. 10.5194/acp-22-9033-2022
- Mechanisms of soot-aggregate restructuring and compaction J. Corbin et al. 10.1080/02786826.2022.2137385
- From mining to fire outbreaks: The relative impact of pollutants sources on air quality in the metropolitan area of Belo Horizonte O. Sobrinho et al. 10.1016/j.apr.2024.102118
- Isoprene Epoxydiol-Derived Sulfated and Nonsulfated Oligomers Suppress Particulate Mass Loss during Oxidative Aging of Secondary Organic Aerosol N. Armstrong et al. 10.1021/acs.est.2c03200
- Viscosity, Glass Formation, and Mixing Times within Secondary Organic Aerosol from Biomass Burning Phenolics K. Kiland et al. 10.1021/acsearthspacechem.3c00039
- Simulated phase state and viscosity of secondary organic aerosols over China Z. Zhang et al. 10.5194/acp-24-4809-2024
- Measurements of the partitioning of nitric acid and sulfuric acid in aqueous/organic phase-separated systems B. Deming & P. Ziemann 10.1039/D0EA00003E
- Microscopic observation of a liquid-liquid-(semi)solid phase in polluted PM2.5 S. Gaikwad et al. 10.3389/fenvs.2022.947924
- Effects of volatility, viscosity, and non-ideality on particle–particle mixing timescales of secondary organic aerosols M. Schervish et al. 10.1080/02786826.2023.2256827
- Sunlight can convert atmospheric aerosols into a glassy solid state and modify their environmental impacts V. Baboomian et al. 10.1073/pnas.2208121119
- Nonequilibrium Behavior in Isoprene Secondary Organic Aerosol Y. Chen et al. 10.1021/acs.est.3c03532
- Imaging of pH distribution inside individual microdroplet by stimulated Raman microscopy K. Gong et al. 10.1073/pnas.2219588120
- Nitrogen‐Containing Functional Groups Dominate the Molecular Absorption of Water‐Soluble Humic‐Like Substances in Air From Nanjing, China Revealed by the Machine Learning Combined FT‐ICR‐MS Technique Y. Hong et al. 10.1029/2023JD039459
- Representation of Multiphase OH Oxidation of Amorphous Organic Aerosol for Tropospheric Conditions J. Li & D. Knopf 10.1021/acs.est.0c07668
- Emerging investigator series: surfactants, films, and coatings on atmospheric aerosol particles: a review K. Wokosin et al. 10.1039/D2EA00003B
- Size Dependence of Liquid–Liquid Phase Separation by in Situ Study of Flowing Submicron Aerosol Particles P. Ohno et al. 10.1021/acs.jpca.2c08224
- Modeling Volatility-Based Aerosol Phase State Predictions in the Amazon Rainforest Q. Rasool et al. 10.1021/acsearthspacechem.1c00255
- Modeling the Size Distribution and Chemical Composition of Secondary Organic Aerosols during the Reactive Uptake of Isoprene-Derived Epoxydiols under Low-Humidity Condition M. Octaviani et al. 10.1021/acsearthspacechem.1c00303
- Evaluation of Biogenic Organic Aerosols in the Amazon Rainforest Using WRF‐Chem With MOSAIC J. Mao et al. 10.1029/2021JD034913
- Viscosity and liquid–liquid phase separation in healthy and stressed plant SOA N. Smith et al. 10.1039/D0EA00020E
- Determining the Role of Acidity, Fate and Formation of IEPOX-Derived SOA in CMAQ P. Vasilakos et al. 10.3390/atmos12060707
- Molecular-scale description of interfacial mass transfer in phase-separated aqueous secondary organic aerosol M. Lbadaoui-Darvas et al. 10.5194/acp-21-17687-2021
- Modeling Secondary Organic Aerosols in China: State of the Art and Perspectives J. Li et al. 10.1007/s40726-022-00246-3
- Predicting glass transition temperature and melting point of organic compounds via machine learning and molecular embeddings T. Galeazzo & M. Shiraiwa 10.1039/D1EA00090J
- Morphology and Viscosity Changes after Reactive Uptake of Isoprene Epoxydiols in Submicrometer Phase Separated Particles with Secondary Organic Aerosol Formed from Different Volatile Organic Compounds Z. Lei et al. 10.1021/acsearthspacechem.1c00156
- Prediction of Phase State of Secondary Organic Aerosol Internally Mixed with Aqueous Inorganic Salts Z. Yu et al. 10.1021/acs.jpca.1c06773
- Impact of phase state and non-ideal mixing on equilibration timescales of secondary organic aerosol partitioning M. Schervish & M. Shiraiwa 10.5194/acp-23-221-2023
Latest update: 29 Jun 2024
Short summary
Accurate model prediction of aerosol concentrations is a known challenge. It is assumed in many modeling systems that aerosols are in a homogeneously mixed phase state. It has been observed that aerosols do phase separate and can form a highly viscous organic shell with an aqueous core impacting the formation processes of aerosols. This work is a model implementation to determine an aerosol's phase state using glass transition temperature and aerosol composition.
Accurate model prediction of aerosol concentrations is a known challenge. It is assumed in many...
Altmetrics
Final-revised paper
Preprint