Predicting hygroscopic growth of organosulfur aerosol particles using COSMOtherm
Li, Z., Buchholz, A., & Hyttinen, N. (2024). Predicting hygroscopic growth of organosulfur aerosol particles using COSMOtherm. Atmospheric Chemistry and Physics, 24, 11717-11725. https://doi.org/10.5194/acp-24-11717-2024
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Atmospheric Chemistry and PhysicsDate
2024Copyright
© Author(s) 2024
Organosulfur (OS) compounds are important sulfur species in atmospheric aerosol particles, due to the reduction of global inorganic sulfur emissions. Understanding the physicochemical properties, such as hygroscopicity, of OS compounds is important for predicting future aerosol–cloud–climate interactions. However, their hygroscopicity is not yet well understood due to the scarcity of authentic standards. In this work, we investigated a group of OS compounds with short carbon chains (C1–C5) and oxygen-containing functional groups in the form of sodium, potassium, or ammonium salts and their mixtures with ammonium sulfate. The hygroscopic growth factors (HGFs) of these OS compounds have been experimentally studied. Here, the HGFs were calculated from mass fraction of water that was computed using the conductor-like screening model for real solvents (COSMO-RS). A good agreement was found between the model-estimated and experimental HGFs for the studied OS compounds. This quantum-chemistry-based approach for HGF estimation will open up the possibility of investigating the hygroscopicity of other OS compounds present in the atmosphere.
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CopernicusISSN Search the Publication Forum
1680-7316Keywords
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https://converis.jyu.fi/converis/portal/detail/Publication/243670469
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Research Council of FinlandFunding program(s)
Postdoctoral Researcher, AoFAdditional information about funding
Zijun Li was supported by the QUT Early Career Research Scheme for funding support. Noora Hyttinen was supported by the Research Council of Finland (grant no. 338171) for the financial contribution.License
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