Articles | Volume 20, issue 9
Atmos. Chem. Phys., 20, 5679–5696, 2020
https://doi.org/10.5194/acp-20-5679-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Atmos. Chem. Phys., 20, 5679–5696, 2020
https://doi.org/10.5194/acp-20-5679-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
13 May 2020
Research article
| 13 May 2020
Thermodynamic properties of isoprene- and monoterpene-derived organosulfates estimated with COSMOtherm
Noora Hyttinen et al.
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Cited
11 citations as recorded by crossref.
- Lifetime of Triplet Photosensitizers in Aerosol Using Time-Resolved Photoelectric Activity E. Woods et al. 10.1021/acsearthspacechem.0c00141
- Seasonal Contribution of Isoprene-Derived Organosulfates to Total Water-Soluble Fine Particulate Organic Sulfur in the United States Y. Chen et al. 10.1021/acsearthspacechem.1c00102
- Inorganic Sulfur Species Formed upon Heterogeneous OH Oxidation of Organosulfates: A Case Study of Methyl Sulfate R. Xu et al. 10.1021/acsearthspacechem.0c00209
- Improving Solubility and Activity Estimates of Multifunctional Atmospheric Organics by Selecting Conformers in COSMOtherm N. Hyttinen & N. Prisle 10.1021/acs.jpca.0c04285
- Gas-to-Particle Partitioning of Cyclohexene- and α-Pinene-Derived Highly Oxygenated Dimers Evaluated Using COSMOtherm N. Hyttinen et al. 10.1021/acs.jpca.0c11328
- Anti-microbial activity of citronella (Cymbopogon citratus) essential oil separation by ultrasound assisted ohmic heating hydrodistillation X. Zhang et al. 10.1016/j.indcrop.2021.114299
- Second-Order Kinetic Rate Coefficients for the Aqueous-Phase Hydroxyl Radical (OH) Oxidation of Isoprene-Derived Secondary Organic Aerosol Compounds at 298 K K. Abellar et al. 10.1021/acs.est.1c04606
- Comparison of saturation vapor pressures of <i>α</i>-pinene + O<sub>3</sub> oxidation products derived from COSMO-RS computations and thermal desorption experiments N. Hyttinen et al. 10.5194/acp-22-1195-2022
- Modeling the formation and growth of atmospheric molecular clusters: A review J. Elm et al. 10.1016/j.jaerosci.2020.105621
- Predicting gas–particle partitioning coefficients of atmospheric molecules with machine learning E. Lumiaro et al. 10.5194/acp-21-13227-2021
- Atmospheric clusters to nanoparticles: Recent progress and challenges in closing the gap in chemical composition J. Smith et al. 10.1016/j.jaerosci.2020.105733
11 citations as recorded by crossref.
- Lifetime of Triplet Photosensitizers in Aerosol Using Time-Resolved Photoelectric Activity E. Woods et al. 10.1021/acsearthspacechem.0c00141
- Seasonal Contribution of Isoprene-Derived Organosulfates to Total Water-Soluble Fine Particulate Organic Sulfur in the United States Y. Chen et al. 10.1021/acsearthspacechem.1c00102
- Inorganic Sulfur Species Formed upon Heterogeneous OH Oxidation of Organosulfates: A Case Study of Methyl Sulfate R. Xu et al. 10.1021/acsearthspacechem.0c00209
- Improving Solubility and Activity Estimates of Multifunctional Atmospheric Organics by Selecting Conformers in COSMOtherm N. Hyttinen & N. Prisle 10.1021/acs.jpca.0c04285
- Gas-to-Particle Partitioning of Cyclohexene- and α-Pinene-Derived Highly Oxygenated Dimers Evaluated Using COSMOtherm N. Hyttinen et al. 10.1021/acs.jpca.0c11328
- Anti-microbial activity of citronella (Cymbopogon citratus) essential oil separation by ultrasound assisted ohmic heating hydrodistillation X. Zhang et al. 10.1016/j.indcrop.2021.114299
- Second-Order Kinetic Rate Coefficients for the Aqueous-Phase Hydroxyl Radical (OH) Oxidation of Isoprene-Derived Secondary Organic Aerosol Compounds at 298 K K. Abellar et al. 10.1021/acs.est.1c04606
- Comparison of saturation vapor pressures of <i>α</i>-pinene + O<sub>3</sub> oxidation products derived from COSMO-RS computations and thermal desorption experiments N. Hyttinen et al. 10.5194/acp-22-1195-2022
- Modeling the formation and growth of atmospheric molecular clusters: A review J. Elm et al. 10.1016/j.jaerosci.2020.105621
- Predicting gas–particle partitioning coefficients of atmospheric molecules with machine learning E. Lumiaro et al. 10.5194/acp-21-13227-2021
- Atmospheric clusters to nanoparticles: Recent progress and challenges in closing the gap in chemical composition J. Smith et al. 10.1016/j.jaerosci.2020.105733
Latest update: 03 Feb 2023
Short summary
Organosulfates have been identified in atmospheric secondary organic aerosol (SOA). The thermodynamic properties of SOA constituents, such as organosulfates, affect the stability and atmospheric impact of the SOA. Here we present estimated solubility, activity, pKa, saturation vapor pressure and Henry's law solubility values for several atmospherically relevant monoterpene- and isoprene-derived organosulfate compounds. These properties can be used, for example, in aerosol process modeling.
Organosulfates have been identified in atmospheric secondary organic aerosol (SOA). The...
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