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Characterizations of chemical oxidants in Mexico City: A regional chemical dynamical model (WRF-Chem) study

机译：墨西哥城化学氧化剂的特征：区域化学动力学模型（WRF-Chem）研究

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The formation of chemical oxidants, particularly ozone, in Mexico City were studied using a newly developed regional chemical/dynamical model (WRF-Chem). The magnitude and timing of simulated diurnal cycles of ozone (O_3), carbon monoxide (CO) and nitrogen oxides (NO_x) and the maximum and minimum O_3 concentrations are generally consistent with surface measurements. Our analysis shows that the strong diurnal cycle in O_3 is mainly attributable to photochemical variations, while diurnal cycles of CO and NO_x mainly result from variations of emissions and boundary layer height. In a sensitivity study, oxidation reactions of aromatic hydrocarbons (HCs) and alkenes yield highest peak O_3 production rates (20 and 18 ppbv h~(-1), respectively). Alkene oxidations, which are generally faster, dominate in early morning. By late morning, alkene concentrations drop, and oxidations of aromatics dominate, with lesser contributions from alkanes and CO. The sensitivity of O_3 concentrations to NO_x and HC emissions was assessed. Our results show that daytime O_3 production is HC-limited in the Mexico City metropolitan area, so that increases in HC emissions increase O_3 chemical production, while increases in NO_x emissions decrease O_3 concentrations. However, increases in both NO_x and HC emissions yield even greater O_3 increases than increases in HCs alone. Uncertainties in HC emissions estimates give large uncertainties in calculated daytime O_3, while NO_x emissions uncertainties are less influential. However, NO_x emissions are important in controlling O_3 at night.
机译：使用新开发的区域化学/动力学模型（WRF-Chem）研究了墨西哥城中化学氧化剂（尤其是臭氧）的形成。臭氧（O_3），一氧化碳（CO）和氮氧化物（NO_x）的模拟昼夜周期的大小和时间以及最大和最小O_3浓度通常与表面测量结果一致。我们的分析表明，O_3中较强的昼夜周期主要归因于光化学变化，而CO和NO_x的昼夜周期主要归因于排放量和边界层高度的变化。在一项敏感性研究中，芳烃（HCs）和烯烃的氧化反应产生了最高的O_3峰值生产率（分别为20和18 ppbv h〜（-1））。通常较早的烯烃氧化占主导地位。到傍晚，烯烃浓度下降，芳烃的氧化占主导地位，烷烃和CO的贡献较小。评估了O_3浓度对NO_x和HC排放的敏感性。我们的结果表明，在墨西哥城城市地区白天O_3的生产受到HC的限制，因此HC排放量的增加会增加O_3的化学产量，而NO_x排放量的增加会降低O_3的浓度。但是，NO_x和HC排放量的增加比单独的HCs的增加产生更大的O_3增加。 HC排放估算的不确定性给白天的O_3计算带来很大的不确定性，而NO_x排放的不确定性影响较小。但是，NO_x排放对于晚上控制O_3很重要。

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