Impact of Molecular Structure on the OH-Initiated Oxidation Mechanism of 2-(2-Ethoxyethoxy)ethanol and Resulting Aerosol Formation

作者：Tucker R. Melles, Audrey V. Lawrence, Amel Ksaibati, Cort L. Zang, Abraham Dearden, Matthew M. Coggon, Katelyn Richard, Damien Ketcherside, Lu Tan, Chelsea E. Stockwell, Huiying Luo, Masoud Akbarzadeh, Lu Xu, A. M. Middlebrook, Alison Piasecki, Lauren A. Garofalo, C. Warneke, Lu Hu, Delphine K. Farmer, Shantanu H. Jathar, Megan D. Willis · 发表于：ACS Earth and Space Chemistry · 年份：2025 · DOI：10.1021/acsearthspacechem.5c00244 · 被引用次数：2 · 研究领域：Atmospheric chemistry and aerosols、Indoor Air Quality and Microbial Exposure、Air Quality and Health Impacts

Reactive organic carbon (ROC) from volatile chemical products (VCPs) has emerged as an important precursor to urban ozone and secondary organic aerosol (SOA). Oxygenated ROC from VCPs may contribute to unexplained urban SOA; however, a predictive understanding is hampered by the structural complexity of multifunctional oxygenates. These functional groups may alter oxidation rates and open reaction pathways that are unavailable to hydrocarbons. We examine the OH-initiated oxidation of 2-(2-ethoxyethoxy)ethanol (2-2-EEE, C 6 H 14 O 3 ), a potential contributor to urban SOA and a model compound for glycol diethers, which are commonly used as industrial solvents in paints, resins, and enamels. Our gas and particle-phase observations approach carbon closure (65(±14)%–107(±39)% of initial 2-2-EEE carbon accounted for at 15 h photochemical age) with stable reaction products that can be explained by a combination of peroxy radical (RO 2 ) H-shifts, RO 2 + HO 2, and RO 2 + NO reactions. Carbon-retaining (C 6 ) products are consistent with hydroperoxy carbonyl species, including esters, and likely arise from a combination of RO 2 H-shifts that are promoted by the diether structure, and RO 2 + HO 2 reactions. These products contribute to SOA and result in mass yields of 0.04–0.14. Rate coefficients from structure–activity relationships demonstrate that the diether structure drives rapid alkoxy radical (RO) decomposition and exerts important control over 2-2-EEE aerosol formation when RO...