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© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.

Submitted as: research article 02 Sep 2019

Submitted as: research article | 02 Sep 2019

Review status
This discussion paper is a preprint. It is a manuscript under review for the journal Atmospheric Chemistry and Physics (ACP).

Observationally constrained modelling of atmospheric oxidation capacity and photochemical reactivity in Shanghai, China

Jian Zhu1, Shanshan Wang1,2, Hongli Wang3, Shengao Jing3, Shengrong Lou3, Alfonso Saiz-Lopez1,5, and Bin Zhou1,2,4 Jian Zhu et al.
  • 1Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention (LAP3), Department of Environmental Science and Engineering, Fudan University, Shanghai, China
  • 2Institute of Eco-Chongming (IEC), No.20 Cuiniao Road, Shanghai 202162, China
  • 3State Environmental Protection Key Laboratory of the Formation and Prevention of Urban Air Pollution Complex, Shanghai Academy of Environmental Sciences, Shanghai 200233, China
  • 4Institute of Atmospheric Sciences, Fudan University, Shanghai, 200433, China
  • 5Department of Atmospheric Chemistry and Climate, Institute of Physical Chemistry Rocasolano (CSIC), Madrid 28006, Spain

Abstract. An observation-based model coupled to the Master Chemical Mechanism (V3.3.1) and constrained by a full suite of observations was developed to study atmospheric oxidation capacity (AOC), OH reactivity, OH chain length, and HOx (= OH + HO2) budget for three different ozone (O3) concentration levels in Shanghai, China. Five months of observation from 1 May to 30 September 2018 showed that 10 days with ozone as the primary pollutant occurred and the days with good air quality (AQI < 100) accounted for 92.2 % during this spring-summer time. The levels of ozone and its precursors, as well as meteorological parameters revealed the significant differences among different ozone levels, indicating that the high level of precursors is the premise of ozone pollution, and strong radiation is an essential driving force. By increasing the input JNO2 value by 40 %, the simulated O3 level increased by 30–40 % correspondingly under the same level of precursors. The simulation results show that AOC, dominated by reactions involving OH radical during the daytime, has a positive correlation with ozone levels. The reactions with non-methane volatile organic compounds (NMVOCs) (30 %–36 %), carbon monoxide (CO) (26 %–31 %), and nitrogen dioxide (NO2) (21 %–29 %) dominated the OH reactivity under different ozone levels in Shanghai. Among the NMVOCs, alkenes and oxygenated VOCs (OVOCs) played a key role in OH reactivity defined as the inverse of OH lifetime. A longer OH chain length was found in clean condition primarily due to low NO2 in the atmosphere. The high level of radical precursors (e.g., O3, HONO, and OVOCs) promotes the production and cycling of HOx, and the daytime HOx primary source shifted from the HONO photolysis in the morning to the O3 photolysis in the afternoon. For the sinks of radicals, the reaction with NO2 completely dominated radicals termination during the morning rush hour, while the reactions of radical-radical also contributed to the sinks of HOx in the afternoon. Furthermore, the top four species contributing to ozone formation potential (OFP) were HCHO, toluene, ethylene, and m/p-xylene. The concentration ratio (~ 23 %) of these four species is not proportional to their contribution (~ 55 %) to OFP, implying that controlling key VOC species emission is more effective than limiting the total concentration of VOC in preventing and controlling ozone pollution.

Jian Zhu et al.
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Status: open (until 28 Oct 2019)
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Jian Zhu et al.
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