Bin Jiang, Shizhen Zhao, Wei Chen, Lele Tian, Weiwei Hu, Jun Li, Gan Zhang
{"title":"Intrinsic Chemical Drivers of Organic Aerosol Volatility: From Experimental Insights to Model Predictions","authors":"Bin Jiang, Shizhen Zhao, Wei Chen, Lele Tian, Weiwei Hu, Jun Li, Gan Zhang","doi":"10.1029/2024JD041286","DOIUrl":null,"url":null,"abstract":"<p>Accurately predicting the volatilities of molecules in aerosols is challenging but crucial for understanding the atmospheric effects of aerosols. We used negative and positive ion electrospray ionization Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS) to identify differences in the molecular compositions of gas and particle phase samples from urban atmosphere. We aimed to identify intrinsic chemical parameters that determine and predict the organic aerosol volatility. We found higher average molecular weights, carbon mass percentages, and double bond equivalents (DBE) but lower average O/C ratios and oxygen mass percentages in the particle phase than the gas phase. We identified DBE, which display a significant negative correlation with volatility, as a key parameter. We proposed to improve the previous model for predicting organic aerosol volatility by incorporating DBE as a new variant; and the result showed that this subsequently improved the accuracy of the model, particularly for compounds with minimal or no heteroatoms (0–2) such as hydrocarbons (CH). The revised model offers insights into the contributions of DBE, carbon, nitrogen, oxygen, and sulfur atoms to the volatilities of diverse organic molecules in aerosols and could be applied to improve our understanding of the phase distributions of volatile organic compounds in the ambient air.</p>","PeriodicalId":15986,"journal":{"name":"Journal of Geophysical Research: Atmospheres","volume":null,"pages":null},"PeriodicalIF":3.8000,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Geophysical Research: Atmospheres","FirstCategoryId":"89","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1029/2024JD041286","RegionNum":2,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"METEOROLOGY & ATMOSPHERIC SCIENCES","Score":null,"Total":0}
引用次数: 0
Abstract
Accurately predicting the volatilities of molecules in aerosols is challenging but crucial for understanding the atmospheric effects of aerosols. We used negative and positive ion electrospray ionization Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS) to identify differences in the molecular compositions of gas and particle phase samples from urban atmosphere. We aimed to identify intrinsic chemical parameters that determine and predict the organic aerosol volatility. We found higher average molecular weights, carbon mass percentages, and double bond equivalents (DBE) but lower average O/C ratios and oxygen mass percentages in the particle phase than the gas phase. We identified DBE, which display a significant negative correlation with volatility, as a key parameter. We proposed to improve the previous model for predicting organic aerosol volatility by incorporating DBE as a new variant; and the result showed that this subsequently improved the accuracy of the model, particularly for compounds with minimal or no heteroatoms (0–2) such as hydrocarbons (CH). The revised model offers insights into the contributions of DBE, carbon, nitrogen, oxygen, and sulfur atoms to the volatilities of diverse organic molecules in aerosols and could be applied to improve our understanding of the phase distributions of volatile organic compounds in the ambient air.
期刊介绍:
JGR: Atmospheres publishes articles that advance and improve understanding of atmospheric properties and processes, including the interaction of the atmosphere with other components of the Earth system.