Monoterpenes react with nitrate radicals (NO3), contributing substantially to nighttime organic aerosol (OA) production. In this study, the role of reactions of monoterpenes + NO_3 in forming biogenic secondary organic aerosol (BSOA) was examined using the Community Multiscale Air Quality (CMAQ) model, with extended emission profiles of biogenic volatile organic compounds (BVOCs), species-specific representations of BSOA production from individual monoterpenes and updated aerosol yields for monoterpene + NO_3. The model results were compared to detailed measurements from the Southern Oxidants and Aerosol Study (SOAS) at Centreville, Alabama. With the more detailed model, monoterpene-derived BSOA increased by ∼1 μg m^(−3) at night, accounting for one-third of observed less-oxidized oxygenated OA (LO-OOA), more closely agreeing with observations (lower error, stronger correlation). Implementation of a multigenerational oxidation approach resulted in the model capturing elevated OA episodes. With the aging model, aged semi-volatile organic compounds (ASVOCs) contributed over 60% of the monoterpene-derived BSOA, followed by SOA formation via nitrate radical chemistry, making up to 34% of that formed at night. Among individual monoterpenes, β-pinene and limonene contributed most to the monoterpene-derived BSOA from nighttime reactions.

中文翻译：

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模拟来自单萜与 NO 3 反应的生物二次有机气溶胶 (BSOA) 形成：使用 CMAQ 的 SOAS 活动的案例研究

单萜与硝酸根 (NO3) 发生反应，对夜间有机气溶胶 (OA) 的产生有很大贡献。在这项研究中，使用社区多尺度空气质量 (CMAQ) 模型检查了单萜 + NO_3 反应在形成生物二次有机气溶胶 (BSOA) 中的作用，并扩展了生物挥发性有机化合物 (BVOC) 的排放分布，物种特异性来自单个单萜的 BSOA 生产和单萜 + NO_3 的更新气溶胶产量的表示。模型结果与阿拉巴马州森特维尔的南方氧化剂和气溶胶研究 (SOAS) 的详细测量结果进行了比较。使用更详细的模型，单萜衍生的 BSOA 在夜间增加了约 1 μg m^(-3)，占观察到的氧化程度较低的含氧 OA (LO-OOA) 的三分之一，与观察结果更接近（更低的误差，更强的相关性）。多代氧化方法的实施导致模型捕获升高的 OA 事件。在老化模型中，老化的半挥发性有机化合物 (ASVOC) 占单萜衍生 BSOA 的 60% 以上，其次是通过硝酸根自由基化学形成的 SOA，占夜间形成的 SOA 的 34%。在单个单萜中，β-蒎烯和柠檬烯在夜间反应中对单萜衍生的 BSOA 贡献最大。占夜间形成的 34%。在单个单萜中，β-蒎烯和柠檬烯在夜间反应中对单萜衍生的 BSOA 贡献最大。占夜间形成的 34%。在单个单萜中，β-蒎烯和柠檬烯在夜间反应中对单萜衍生的 BSOA 贡献最大。