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Formation of secondary organic aerosol from the reaction of styrene with ozone in the presence and absence of ammonia and water

机译：在存在和不存在氨水的情况下，苯乙烯与臭氧的反应形成二次有机气溶胶

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We report on a comprehensive investigation of the influence of ammonia and water on secondary organic aerosol (SOA) formation from the styrene-ozone system. The presence of ammonia and water each affected the gas-phase chemistry leading to SOA formation, thereby impacting the total aerosol yield for the system. Two lumped products using the classic semi-empirical gas-particle equilibrium model (α_1, K_1, α_2, and K_2 were estimated as 0.0490, 0.3410, 0.1439, and 0.0040, respectively) were sufficient to predict SOA formation in the dry styrene-ozone system. We propose 3,5-diphenyl-1,2, 4-trioxolane and a hydroxyl-substituted ester as the major aerosol-forming products in the dry, ammonia-free styrene ozonolysis system. Addition of excess ammonia after SOA formation rapidly and significantly reduced the aerosol volume suspended in the chamber. We believe this is due to rapid decomposition of the 3,5-diphenyl-1,2,4-trioxolane and the hydroxyl-substituted ester by nucleophilic attack from the ammonia molecule. Additional experiments with α-methylstyrene/ozone produced SOA that was unaffected by ammonia, suggesting that the addition of a methyl group led to SOA that stearically hindered nucleophilic attack by the ammonia molecule. The presence of water vapor prior to styrene oxidation was found to reduce SOA formation, likely due to inhibition of the formation of 3,5-diphenyl-1,2, 4-trioxolane.
机译：我们报告了对氨和水对苯乙烯-臭氧系统中次级有机气溶胶（SOA）形成的影响的全面调查。氨和水的存在都会影响导致SOA形成的气相化学反应，从而影响系统的总气溶胶产量。使用经典的半经验性气体颗粒平衡模型的两个集总乘积（α_1，K_1，α_2和K_2分别估计为0.0490、0.3410、0.1439和0.0040）足以预测干燥苯乙烯-臭氧系统中的SOA形成。 。我们提出了3,5-二苯基-1,2,4-三氧戊环和羟基取代的酯作为干燥，无氨的苯乙烯臭氧分解系统中主要的烟雾形成产品。 SOA形成后，添加过量的氨迅速并显着减少了悬浮在室内的气溶胶体积。我们认为这是由于3,5-二苯基-1,2,4-三氧戊环和羟基取代的酯通过氨分子的亲核攻击而迅速分解。使用α-甲基苯乙烯/臭氧进行的其他实验产生的SOA不受氨的影响，这表明添加甲基会导致SOA硬性阻碍氨分子的亲核攻击。发现在苯乙烯氧化之前水蒸气的存在会减少SOA的形成，这可能是由于抑制了3,5-二苯基-1,2-，4-三氧戊环的形成。

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