Development of SOA modules in the WRF-Chem model and evaluation of the key formation pathways of SOA and associated health risk over mainland China

• Published in: Environment international Vol. 202; p. 109662
• Main Authors: Wu, Liqing, Wu, Bing, Ling, Zhenhao, Shao, Min, Wang, Xuemei
• Format: Journal Article
• Language: English
• Published: Netherlands Elsevier Ltd 01.08.2025; Elsevier
• Subjects: Aerosols - analysis; Air Pollutants - analysis; Air Pollution - statistics & numerical data; China; Environmental Monitoring; Health risk; Humans; Influencing factors; Models, Chemical; Optimized simulation; Particulate Matter - analysis; Risk Assessment; Secondary organic aerosol; SOA-forming pathways; Volatile Organic Compounds - analysis; China; Secondary organic aerosol; SOA-forming pathways; Optimized simulation; Influencing factors; Health risk
• ISSN: 0160-4120; 1873-6750; 1873-6750
• DOI: 10.1016/j.envint.2025.109662

[Display omitted] •The WRF-Chem model was further optimized for SOA simulation through incorporating updated mechanisms.•Key SOA formation pathways and their impact factors, as well as the associated health risk were evaluated.•Key SOA formation pathways were the gas-phase oxidation of S/IVOCs and the aqueous-phase chemistry of carbonyl compounds.•Higher health risks associated with SOA were observed in the Sichuan Basin, eastern China, and southern China.•Top two contributors to SOA health risk were the reaction pathways of S/IVOCs and carbonyl compounds. Secondary Organic Aerosol (SOA), a vital component of fine particulate matter (PM2.5), formation of which is significantly affected by precursors, meteorological factors and the levels of oxidants. However, identifying their roles in SOA and PM2.5, as well as quantifying the contributions of the individual pathway to SOA abundance still remain challenged due to the complex origins and degradation mechanisms, as well as the discrepancy between the simulated and observed SOA. Here, a commonly used WRF-Chem model was further optimized for SOA simulation. The improvements included the integration of primary emissions and the degradation of S/IVOCs, aqueous chemistry of carbonyl compounds, chlorine chemistry, cloud aqueous chemistry, and SOA wet deposition processes. The optimized model was used to evaluate the key SOA formation pathways and their impact factors, as well as the associated health risk during pollution episodes. The dominant factors of the aqueous chemistry of carbonyl compounds, chlorine chemistry module, Cl-initiated SOA-forming pathway, cloud aqueous chemistry and wet deposition that influenced SOA abundance were aerosol water, volatile organic compounds (VOCs), Cl atom, temperature, respectively. The key formation pathways leading to SOA pollution were the gas-phase oxidation of semi-volatile/intermediate-volatility organic compounds (S/IVOCs) and the aqueous-phase chemistry of carbonyl compounds over mainland China. The regional average attributable fraction of mortality was approximately 0.03, with the largest contributions from the reaction pathways of S/IVOCs and carbonyl compounds. Therefore, reducing emissions of S/IVOCs and carbonyl compounds is vital to mitigating SOA and PM2.5 concentrations, achieving air quality standards, and protecting public health.