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Modeling Novel Aqueous Particle and Cloud Chemistry Processes of Biomass Burning Phenols and Their Potential to Form Secondary Organic Aerosols

  • Jie Zhang
    Jie Zhang
    Pacific Northwest National Laboratory, Richland, Washington 99352, United States
    More by Jie Zhang
  • Manish Shrivastava*
    Manish Shrivastava
    Pacific Northwest National Laboratory, Richland, Washington 99352, United States
    *Email: [email protected]
  • Lan Ma
    Lan Ma
    Department of Land, Air and Water Resources, University of California, Davis, California 95616-8627, United States
    Agricultural and Environmental Chemistry Graduate Group, University of California, Davis, California 95616-5270, United States
    More by Lan Ma
  • Wenqing Jiang
    Wenqing Jiang
    Agricultural and Environmental Chemistry Graduate Group, University of California, Davis, California 95616-5270, United States
    Department of Environmental Toxicology, University of California, Davis, California 95616-5270, United States
  • Cort Anastasio
    Cort Anastasio
    Department of Land, Air and Water Resources, University of California, Davis, California 95616-8627, United States
    Agricultural and Environmental Chemistry Graduate Group, University of California, Davis, California 95616-5270, United States
  • Qi Zhang
    Qi Zhang
    Agricultural and Environmental Chemistry Graduate Group, University of California, Davis, California 95616-5270, United States
    Department of Environmental Toxicology, University of California, Davis, California 95616-5270, United States
    More by Qi Zhang
  • , and 
  • Alla Zelenyuk
    Alla Zelenyuk
    Pacific Northwest National Laboratory, Richland, Washington 99352, United States
Cite this: Environ. Sci. Technol. 2024, 58, 8, 3776–3786
Publication Date (Web):February 12, 2024
https://doi.org/10.1021/acs.est.3c07762
Copyright © 2024 American Chemical Society

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    Abstract

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    Phenols emitted from biomass burning contribute significantly to secondary organic aerosol (SOA) formation through the partitioning of semivolatile products formed from gas-phase chemistry and multiphase chemistry in aerosol liquid water and clouds. The aqueous-phase SOA (aqSOA) formed via hydroxyl radical (OH), singlet molecular oxygen (1O2*), and triplet excited states of organic compounds (3C*), which oxidize dissolved phenols in the aqueous phase, might play a significant role in the evolution of organic aerosol (OA). However, a quantitative and predictive understanding of aqSOA has been challenging. Here, we develop a stand-alone box model to investigate the formation of SOA from gas-phase OH chemistry and aqSOA formed by the dissolution of phenols followed by their aqueous-phase reactions with OH, 1O2*, and 3C* in cloud droplets and aerosol liquid water. We investigate four phenolic compounds, i.e., phenol, guaiacol, syringol, and guaiacyl acetone (GA), which represent some of the key potential sources of aqSOA from biomass burning in clouds. For the same initial precursor organic gas that dissolves in aerosol/cloud liquid water and subsequently reacts with aqueous phase oxidants, we predict that the aqSOA formation potential (defined as aqSOA formed per unit dissolved organic gas concentration) of these phenols is higher than that of isoprene-epoxydiol (IEPOX), a well-known aqSOA precursor. Cloud droplets can dissolve a broader range of soluble phenols compared to aqueous aerosols, since the liquid water contents of aerosols are orders of magnitude smaller than cloud droplets. Our simulations suggest that highly soluble and reactive multifunctional phenols like GA would predominantly undergo cloud chemistry within cloud layers, while gas-phase chemistry is likely to be more important for less soluble phenols. But in the absence of clouds, the condensation of low-volatility products from gas-phase oxidation followed by their reversible partitioning to organic aerosols dominates SOA formation, while the SOA formed through aqueous aerosol chemistry increases with relative humidity (RH), approaching 40% of the sum of gas and aqueous aerosol chemistry at 95% RH for GA. Our model developments of biomass-burning phenols and their aqueous chemistry can be readily implemented in regional and global atmospheric chemistry models to investigate the aqueous aerosol and cloud chemistry of biomass-burning organic gases in the atmosphere.

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    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.est.3c07762.

    • Additional information on phenol properties and SOA formation from gas-phase chemistry (Section S1), SOA formation from aqueous-phase chemistry (Section S2), estimation of aqueous photooxidant concentrations (Section S3), model process of aqSOA formation in cloud droplets and aerosol water (Section S4), model simulation conditions (Section S5), simulation results for the cloud case (Section S6), simulation results for aerosol case (Section S7), aerosol-phase aqSOA formation sensitivity to the Henry’s Law constant of phenols (Section S8), sensitivity of computational time step (Section S9), and references (PDF)

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    Cited By

    This article is cited by 1 publications.

    1. David O. De Haan, Lelia N. Hawkins, Jacob A. Weber, Benjamin T. Moul, Samson Hui, Santeh A. Cox, Jennifer U. Esse, Nathan R. Skochdopole, Carys P. Lynch, Audrey C. De Haan, Chen Le, Mathieu Cazaunau, Antonin Bergé, Edouard Pangui, Johannes Heuser, Jean-François Doussin, Bénédicte Picquet-Varrault. Brown Carbon Aerosol Formation by Multiphase Catechol Photooxidation in the Presence of Soluble Iron. ACS ES&T Air 2024, Article ASAP.