Research article
04 May 2018
Research article
| 04 May 2018
Predicting the glass transition temperature and viscosity of secondary organic material using molecular composition
Wing-Sy Wong DeRieux et al.
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Cited
62 citations as recorded by crossref.
- Comparing secondary organic aerosol (SOA) volatility distributions derived from isothermal SOA particle evaporation data and FIGAERO–CIMS measurements O. Tikkanen et al. 10.5194/acp-20-10441-2020
- 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
- Relationship between Structure, Functionality, and Viscosity for Aerosol-Mimicking Solutions Containing Ammonium Sulfate, Glyoxal, and a Series of Oxidized C1–C5 Compounds E. Gubbins et al. 10.1021/acsearthspacechem.9b00119
- Photodegradation of α-Pinene Secondary Organic Aerosol Dominated by Moderately Oxidized Molecules V. Pospisilova et al. 10.1021/acs.est.0c06752
- Estimation of secondary organic aerosol viscosity from explicit modeling of gas-phase oxidation of isoprene and <i>α</i>-pinene T. Galeazzo et al. 10.5194/acp-21-10199-2021
- 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
- Modeling Volatility-Based Aerosol Phase State Predictions in the Amazon Rainforest Q. Rasool et al. 10.1021/acsearthspacechem.1c00255
- Formation of MoO 3 /Organic Interfaces Y. Wu et al. 10.1002/admi.202101423
- Radical chemistry in oxidation flow reactors for atmospheric chemistry research Z. Peng & J. Jimenez 10.1039/C9CS00766K
- Emerging investigator series: chemical and physical properties of organic mixtures on indoor surfaces during HOMEChem R. O'Brien et al. 10.1039/D1EM00060H
- Influence of blend ratio and water content on the rheology and fragility of maltopolymer/maltose blends M. Dupas-Langlet et al. 10.1016/j.carbpol.2019.02.066
- Organosulfates in atmospheric aerosols in Shanghai, China: seasonal and interannual variability, origin, and formation mechanisms Y. Wang et al. 10.5194/acp-21-2959-2021
- Viscosity and liquid–liquid phase separation in healthy and stressed plant SOA N. Smith et al. 10.1039/D0EA00020E
- A new aerosol flow reactor to study secondary organic aerosol K. Pereira et al. 10.5194/amt-12-4519-2019
- Modeling the effect of non-ideality, dynamic mass transfer and viscosity on SOA formation in a 3-D air quality model Y. Kim et al. 10.5194/acp-19-1241-2019
- Effects of Molecular-Level Compositional Variability in Organic Aerosol on Phase State and Thermodynamic Mixing Behavior J. Ditto et al. 10.1021/acs.est.9b02664
- Aging of Atmospheric Brown Carbon Aerosol R. Hems et al. 10.1021/acsearthspacechem.0c00346
- Accurate Prediction of Organic Aerosol Evaporation Using Kinetic Multilayer Modeling and the Stokes–Einstein Equation S. Ingram et al. 10.1021/acs.jpca.1c00986
- Joint Impacts of Acidity and Viscosity on the Formation of Secondary Organic Aerosol from Isoprene Epoxydiols (IEPOX) in Phase Separated Particles Y. Zhang et al. 10.1021/acsearthspacechem.9b00209
- Predictions of the glass transition temperature and viscosity of organic aerosols from volatility distributions Y. Li et al. 10.5194/acp-20-8103-2020
- Atmospheric evolution of emissions from a boreal forest fire: the formation of highly functionalized oxygen-, nitrogen-, and sulfur-containing organic compounds J. Ditto et al. 10.5194/acp-21-255-2021
- Predicting the influence of particle size on the glass transition temperature and viscosity of secondary organic material M. Petters & S. Kasparoglu 10.1038/s41598-020-71490-0
- Response of the Aerodyne Aerosol Mass Spectrometer to Inorganic Sulfates and Organosulfur Compounds: Applications in Field and Laboratory Measurements Y. Chen et al. 10.1021/acs.est.9b00884
- Humidity-Dependent Viscosity of Secondary Organic Aerosol from Ozonolysis of β-Caryophyllene: Measurements, Predictions, and Implications A. Maclean et al. 10.1021/acsearthspacechem.0c00296
- Reactive Uptake of Isoprene Epoxydiols Increases the Viscosity of the Core of Phase-Separated Aerosol Particles N. Olson et al. 10.1021/acsearthspacechem.9b00138
- Modeling the Effects of Dimerization and Bulk Diffusion on the Evaporative Behavior of Secondary Organic Aerosol Formed from α-Pinene and 1,3,5-Trimethylbenzene Y. Morino et al. 10.1021/acsearthspacechem.0c00106
- Effects of Phase State and Phase Separation on Dimethylamine Uptake of Ammonium Sulfate and Ammonium Sulfate–Sucrose Mixed Particles W. DeRieux et al. 10.1021/acsearthspacechem.9b00142
- Emerging investigator series: heterogeneous OH oxidation of primary brown carbon aerosol: effects of relative humidity and volatility E. Schnitzler et al. 10.1039/D0EM00311E
- Molecular and physical characteristics of aerosol at a remote free troposphere site: implications for atmospheric aging S. Schum et al. 10.5194/acp-18-14017-2018
- Heterogeneous oxidation of amorphous organic aerosol surrogates by O<sub>3</sub>, NO<sub>3</sub>, and OH at typical tropospheric temperatures J. Li et al. 10.5194/acp-20-6055-2020
- Seeded Crystal Growth of Internally Mixed Organic–Inorganic Aerosols: Impact of Organic Phase State S. Ushijima et al. 10.1021/acs.jpca.1c04471
- Extreme Molecular Complexity Resulting in a Continuum of Carbonaceous Species in Biomass Burning Tar Balls from Wildfire Smoke M. Brege et al. 10.1021/acsearthspacechem.1c00141
- A biogenic secondary organic aerosol source of cirrus ice nucleating particles M. Wolf et al. 10.1038/s41467-020-18424-6
- 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
- Increasing Isoprene Epoxydiol-to-Inorganic Sulfate Aerosol Ratio Results in Extensive Conversion of Inorganic Sulfate to Organosulfur Forms: Implications for Aerosol Physicochemical Properties M. Riva et al. 10.1021/acs.est.9b01019
- Kinetic modeling of formation and evaporation of secondary organic aerosol from NO<sub>3</sub> oxidation of pure and mixed monoterpenes T. Berkemeier et al. 10.5194/acp-20-15513-2020
- Direct target and non-target analysis of urban aerosol sample extracts using atmospheric pressure photoionisation high-resolution mass spectrometry C. Giorio et al. 10.1016/j.chemosphere.2019.02.151
- Particle Size Distribution Dynamics Can Help Constrain the Phase State of Secondary Organic Aerosol Y. He et al. 10.1021/acs.est.0c05796
- Predicting secondary organic aerosol phase state and viscosity and its effect on multiphase chemistry in a regional-scale air quality model R. Schmedding et al. 10.5194/acp-20-8201-2020
- The effects of morphology, mobility size, and secondary organic aerosol (SOA) material coating on the ice nucleation activity of black carbon in the cirrus regime C. Zhang et al. 10.5194/acp-20-13957-2020
- Representation of Multiphase OH Oxidation of Amorphous Organic Aerosol for Tropospheric Conditions J. Li & D. Knopf 10.1021/acs.est.0c07668
- Bouncier Particles at Night: Biogenic Secondary Organic Aerosol Chemistry and Sulfate Drive Diel Variations in the Aerosol Phase in a Mixed Forest J. Slade et al. 10.1021/acs.est.8b07319
- Volatility and Viscosity Are Correlated in Terpene Secondary Organic Aerosol Formed in a Flow Reactor W. Champion et al. 10.1021/acs.estlett.9b00412
- The particle phase state during the biomass burning events Y. Liu et al. 10.1016/j.scitotenv.2021.148035
- Understanding functionality of sucrose in cake for reformulation purposes R. van der Sman & S. Renzetti 10.1080/10408398.2020.1786003
- Modelling consortium for chemistry of indoor environments (MOCCIE): integrating chemical processes from molecular to room scales M. Shiraiwa et al. 10.1039/C9EM00123A
- Timescales of secondary organic aerosols to reach equilibrium at various temperatures and relative humidities Y. Li & M. Shiraiwa 10.5194/acp-19-5959-2019
- Glyoxal as a Potential Source of Highly Viscous Aerosol Particles J. Peters et al. 10.1021/acsearthspacechem.1c00245
- Chemical Composition and Molecular-Specific Optical Properties of Atmospheric Brown Carbon Associated with Biomass Burning A. Hettiyadura et al. 10.1021/acs.est.0c05883
- Organic aerosol volatility and viscosity in the North China Plain: contrast between summer and winter W. Xu et al. 10.5194/acp-21-5463-2021
- The Cooling Rate- and Volatility-Dependent Glass-Forming Properties of Organic Aerosols Measured by Broadband Dielectric Spectroscopy Y. Zhang et al. 10.1021/acs.est.9b03317
- Effects of Photolysis on the Chemical and Optical Properties of Secondary Organic Material Over Extended Time Scales E. Walhout et al. 10.1021/acsearthspacechem.9b00109
- Liquid–liquid phase separation and viscosity within secondary organic aerosol generated from diesel fuel vapors M. Song et al. 10.5194/acp-19-12515-2019
- Toward closure between predicted and observed particle viscosity over a wide range of temperatures and relative humidity S. Kasparoglu et al. 10.5194/acp-21-1127-2021
- A predictive group-contribution model for the viscosity of aqueous organic aerosol N. Gervasi et al. 10.5194/acp-20-2987-2020
- Investigating the Heterogeneous Ice Nucleation of Sea Spray Aerosols Using Prochlorococcus as a Model Source of Marine Organic Matter M. Wolf et al. 10.1021/acs.est.8b05150
- Indoor aerosol water content and phase state in U.S. residences: impacts of relative humidity, aerosol mass and composition, and mechanical system operation B. Cummings et al. 10.1039/D0EM00122H
- The atmospheric chemistry of indoor environments J. Abbatt & C. Wang 10.1039/C9EM00386J
- A Near-Explicit Mechanistic Evaluation of Isoprene Photochemical Secondary Organic Aerosol Formation and Evolution: Simulations of Multiple Chamber Experiments with and without Added NOx J. Thornton et al. 10.1021/acsearthspacechem.0c00118
- 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. 10.5194/amt-14-4805-2021
- Condensation Kinetics of Water on Amorphous Aerosol Particles N. Rothfuss et al. 10.1021/acs.jpclett.8b01365
- Predicting Secondary Organic Aerosol Enhancement in the Presence of Atmospherically Relevant Organic Particles J. Ye et al. 10.1021/acsearthspacechem.8b00093
61 citations as recorded by crossref.
- Comparing secondary organic aerosol (SOA) volatility distributions derived from isothermal SOA particle evaporation data and FIGAERO–CIMS measurements O. Tikkanen et al. 10.5194/acp-20-10441-2020
- 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
- Relationship between Structure, Functionality, and Viscosity for Aerosol-Mimicking Solutions Containing Ammonium Sulfate, Glyoxal, and a Series of Oxidized C1–C5 Compounds E. Gubbins et al. 10.1021/acsearthspacechem.9b00119
- Photodegradation of α-Pinene Secondary Organic Aerosol Dominated by Moderately Oxidized Molecules V. Pospisilova et al. 10.1021/acs.est.0c06752
- Estimation of secondary organic aerosol viscosity from explicit modeling of gas-phase oxidation of isoprene and <i>α</i>-pinene T. Galeazzo et al. 10.5194/acp-21-10199-2021
- 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
- Modeling Volatility-Based Aerosol Phase State Predictions in the Amazon Rainforest Q. Rasool et al. 10.1021/acsearthspacechem.1c00255
- Formation of MoO 3 /Organic Interfaces Y. Wu et al. 10.1002/admi.202101423
- Radical chemistry in oxidation flow reactors for atmospheric chemistry research Z. Peng & J. Jimenez 10.1039/C9CS00766K
- Emerging investigator series: chemical and physical properties of organic mixtures on indoor surfaces during HOMEChem R. O'Brien et al. 10.1039/D1EM00060H
- Influence of blend ratio and water content on the rheology and fragility of maltopolymer/maltose blends M. Dupas-Langlet et al. 10.1016/j.carbpol.2019.02.066
- Organosulfates in atmospheric aerosols in Shanghai, China: seasonal and interannual variability, origin, and formation mechanisms Y. Wang et al. 10.5194/acp-21-2959-2021
- Viscosity and liquid–liquid phase separation in healthy and stressed plant SOA N. Smith et al. 10.1039/D0EA00020E
- A new aerosol flow reactor to study secondary organic aerosol K. Pereira et al. 10.5194/amt-12-4519-2019
- Modeling the effect of non-ideality, dynamic mass transfer and viscosity on SOA formation in a 3-D air quality model Y. Kim et al. 10.5194/acp-19-1241-2019
- Effects of Molecular-Level Compositional Variability in Organic Aerosol on Phase State and Thermodynamic Mixing Behavior J. Ditto et al. 10.1021/acs.est.9b02664
- Aging of Atmospheric Brown Carbon Aerosol R. Hems et al. 10.1021/acsearthspacechem.0c00346
- Accurate Prediction of Organic Aerosol Evaporation Using Kinetic Multilayer Modeling and the Stokes–Einstein Equation S. Ingram et al. 10.1021/acs.jpca.1c00986
- Joint Impacts of Acidity and Viscosity on the Formation of Secondary Organic Aerosol from Isoprene Epoxydiols (IEPOX) in Phase Separated Particles Y. Zhang et al. 10.1021/acsearthspacechem.9b00209
- Predictions of the glass transition temperature and viscosity of organic aerosols from volatility distributions Y. Li et al. 10.5194/acp-20-8103-2020
- Atmospheric evolution of emissions from a boreal forest fire: the formation of highly functionalized oxygen-, nitrogen-, and sulfur-containing organic compounds J. Ditto et al. 10.5194/acp-21-255-2021
- Predicting the influence of particle size on the glass transition temperature and viscosity of secondary organic material M. Petters & S. Kasparoglu 10.1038/s41598-020-71490-0
- Response of the Aerodyne Aerosol Mass Spectrometer to Inorganic Sulfates and Organosulfur Compounds: Applications in Field and Laboratory Measurements Y. Chen et al. 10.1021/acs.est.9b00884
- Humidity-Dependent Viscosity of Secondary Organic Aerosol from Ozonolysis of β-Caryophyllene: Measurements, Predictions, and Implications A. Maclean et al. 10.1021/acsearthspacechem.0c00296
- Reactive Uptake of Isoprene Epoxydiols Increases the Viscosity of the Core of Phase-Separated Aerosol Particles N. Olson et al. 10.1021/acsearthspacechem.9b00138
- Modeling the Effects of Dimerization and Bulk Diffusion on the Evaporative Behavior of Secondary Organic Aerosol Formed from α-Pinene and 1,3,5-Trimethylbenzene Y. Morino et al. 10.1021/acsearthspacechem.0c00106
- Effects of Phase State and Phase Separation on Dimethylamine Uptake of Ammonium Sulfate and Ammonium Sulfate–Sucrose Mixed Particles W. DeRieux et al. 10.1021/acsearthspacechem.9b00142
- Emerging investigator series: heterogeneous OH oxidation of primary brown carbon aerosol: effects of relative humidity and volatility E. Schnitzler et al. 10.1039/D0EM00311E
- Molecular and physical characteristics of aerosol at a remote free troposphere site: implications for atmospheric aging S. Schum et al. 10.5194/acp-18-14017-2018
- Heterogeneous oxidation of amorphous organic aerosol surrogates by O<sub>3</sub>, NO<sub>3</sub>, and OH at typical tropospheric temperatures J. Li et al. 10.5194/acp-20-6055-2020
- Seeded Crystal Growth of Internally Mixed Organic–Inorganic Aerosols: Impact of Organic Phase State S. Ushijima et al. 10.1021/acs.jpca.1c04471
- Extreme Molecular Complexity Resulting in a Continuum of Carbonaceous Species in Biomass Burning Tar Balls from Wildfire Smoke M. Brege et al. 10.1021/acsearthspacechem.1c00141
- A biogenic secondary organic aerosol source of cirrus ice nucleating particles M. Wolf et al. 10.1038/s41467-020-18424-6
- 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
- Increasing Isoprene Epoxydiol-to-Inorganic Sulfate Aerosol Ratio Results in Extensive Conversion of Inorganic Sulfate to Organosulfur Forms: Implications for Aerosol Physicochemical Properties M. Riva et al. 10.1021/acs.est.9b01019
- Kinetic modeling of formation and evaporation of secondary organic aerosol from NO<sub>3</sub> oxidation of pure and mixed monoterpenes T. Berkemeier et al. 10.5194/acp-20-15513-2020
- Direct target and non-target analysis of urban aerosol sample extracts using atmospheric pressure photoionisation high-resolution mass spectrometry C. Giorio et al. 10.1016/j.chemosphere.2019.02.151
- Particle Size Distribution Dynamics Can Help Constrain the Phase State of Secondary Organic Aerosol Y. He et al. 10.1021/acs.est.0c05796
- Predicting secondary organic aerosol phase state and viscosity and its effect on multiphase chemistry in a regional-scale air quality model R. Schmedding et al. 10.5194/acp-20-8201-2020
- The effects of morphology, mobility size, and secondary organic aerosol (SOA) material coating on the ice nucleation activity of black carbon in the cirrus regime C. Zhang et al. 10.5194/acp-20-13957-2020
- Representation of Multiphase OH Oxidation of Amorphous Organic Aerosol for Tropospheric Conditions J. Li & D. Knopf 10.1021/acs.est.0c07668
- Bouncier Particles at Night: Biogenic Secondary Organic Aerosol Chemistry and Sulfate Drive Diel Variations in the Aerosol Phase in a Mixed Forest J. Slade et al. 10.1021/acs.est.8b07319
- Volatility and Viscosity Are Correlated in Terpene Secondary Organic Aerosol Formed in a Flow Reactor W. Champion et al. 10.1021/acs.estlett.9b00412
- The particle phase state during the biomass burning events Y. Liu et al. 10.1016/j.scitotenv.2021.148035
- Understanding functionality of sucrose in cake for reformulation purposes R. van der Sman & S. Renzetti 10.1080/10408398.2020.1786003
- Modelling consortium for chemistry of indoor environments (MOCCIE): integrating chemical processes from molecular to room scales M. Shiraiwa et al. 10.1039/C9EM00123A
- Timescales of secondary organic aerosols to reach equilibrium at various temperatures and relative humidities Y. Li & M. Shiraiwa 10.5194/acp-19-5959-2019
- Glyoxal as a Potential Source of Highly Viscous Aerosol Particles J. Peters et al. 10.1021/acsearthspacechem.1c00245
- Chemical Composition and Molecular-Specific Optical Properties of Atmospheric Brown Carbon Associated with Biomass Burning A. Hettiyadura et al. 10.1021/acs.est.0c05883
- Organic aerosol volatility and viscosity in the North China Plain: contrast between summer and winter W. Xu et al. 10.5194/acp-21-5463-2021
- The Cooling Rate- and Volatility-Dependent Glass-Forming Properties of Organic Aerosols Measured by Broadband Dielectric Spectroscopy Y. Zhang et al. 10.1021/acs.est.9b03317
- Effects of Photolysis on the Chemical and Optical Properties of Secondary Organic Material Over Extended Time Scales E. Walhout et al. 10.1021/acsearthspacechem.9b00109
- Liquid–liquid phase separation and viscosity within secondary organic aerosol generated from diesel fuel vapors M. Song et al. 10.5194/acp-19-12515-2019
- Toward closure between predicted and observed particle viscosity over a wide range of temperatures and relative humidity S. Kasparoglu et al. 10.5194/acp-21-1127-2021
- A predictive group-contribution model for the viscosity of aqueous organic aerosol N. Gervasi et al. 10.5194/acp-20-2987-2020
- Investigating the Heterogeneous Ice Nucleation of Sea Spray Aerosols Using Prochlorococcus as a Model Source of Marine Organic Matter M. Wolf et al. 10.1021/acs.est.8b05150
- Indoor aerosol water content and phase state in U.S. residences: impacts of relative humidity, aerosol mass and composition, and mechanical system operation B. Cummings et al. 10.1039/D0EM00122H
- The atmospheric chemistry of indoor environments J. Abbatt & C. Wang 10.1039/C9EM00386J
- A Near-Explicit Mechanistic Evaluation of Isoprene Photochemical Secondary Organic Aerosol Formation and Evolution: Simulations of Multiple Chamber Experiments with and without Added NOx J. Thornton et al. 10.1021/acsearthspacechem.0c00118
- 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. 10.5194/amt-14-4805-2021
- Condensation Kinetics of Water on Amorphous Aerosol Particles N. Rothfuss et al. 10.1021/acs.jpclett.8b01365
Discussed (final revised paper)
Latest update: 01 Feb 2023
Short summary
The phase transition of organic particles between glassy and semi-solid states occurs at the glass transition temperature. We developed a method to predict glass transition temperatures and the viscosity of secondary organic aerosols using molecular composition, with consistent results with viscosity measurements. The viscosity of biomass burning particles was also estimated using the chemical composition measured by high-resolution mass spectrometry with two different ionization techniques.
The phase transition of organic particles between glassy and semi-solid states occurs at the...
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