Updating and evaluating the NH3 gas-phase chemical mechanism of MOZART-4 in the WRF-Chem model

Li，Guangyao1; Chen，Qiang1,2; Sun，Wei1; She，Jing1; Liu，Jia1; Zhu，Yuhuan1; Guo，Wenkai3; Zhang，Ruixin4; Zhu，Yufan1; Liu，Mingyue5

2023-09-15

10.1016/j.envpol.2023.122070

Environmental Pollution   Impact Factor & Quartile

0269-7491

1873-6424

The accuracy of determining atmospheric chemical mechanisms is a key factor in air pollution prediction, pollution-cause analysis and the development of control schemes based on air quality model simulations. However, the reaction of NH and OH to generate NH and its subsequent reactions are often ignored in the MOZART-4 chemical mechanism. To solve this problem, the gas-phase chemical mechanism of NH was updated in this study. Response surface methodology (RSM), integrated gas-phase reaction rate (IRR) diagnosis and process analysis (PA) were used to quantify the influence of the updated NH chemical mechanism on the O simulated concentration, the nonlinear response relationship of O and its precursors, the chemical reaction rate of O generation and the meteorological transport process. The results show that the updated NH chemical mechanism can reduce the error between the simulated and observed O concentrations and better simulate the O concentration. Compared with the Base scenario (original chemical mechanism simulated), the first-order term of NH in the Updated scenario (updated NH chemical mechanism simulated) in RSM passed the significance test (p < 0.05), indicating that NH emissions have an influence on the O simulation, and the effects of the updated NH chemical mechanism on NOx-VOC-O in different cities are different. In addition, the analysis of chemical reaction rate changes showed that NH can affect the generation of O by affecting the NOx concentration and NOx circulation with radicals of OH and HO in the Updated scenario, and the change of pollutant concentration in the atmosphere leads to the change of meteorological transmission, eventually leading to the reduction of O concentration in Beijing. In conclusion, this study highlights the importance of atmospheric chemistry for air quality models to model atmospheric pollutants and should attract more research focus.

Chemical mechanism IRR NH3 O3 RSM WRF-Chem

SCI

English

Others

Lanzhou Science and Technology Bureau[2022-2-15];

WOS:001029033100001

ENVIRONMENT/ECOLOGY

2-s2.0-85161998467

Scopus

1.Key Laboratory for Semi-Arid Climate Change of the Ministry of Education,College of Atmospheric Sciences,Lanzhou University,Lanzhou,730000,China
2.Lanzhou University Applied Technology Research Institude Co.,Ltd,Lanzhou,730000,China
3.Faculty of Geosciences and Environmental Engineering,Southwest Jiaotong University,Chengdu,611756,China
4.School of Environmental Science and Engineering,Southern University of Science and Technology,Shenzhen,518055,China
5.Ordos Meteorological Bureau of Inner Mongolia,Ordos,017000,China

Li，Guangyao,Chen，Qiang,Sun，Wei,et al. Updating and evaluating the NH3 gas-phase chemical mechanism of MOZART-4 in the WRF-Chem model[J]. Environmental Pollution,2023,333.

Li，Guangyao.,Chen，Qiang.,Sun，Wei.,She，Jing.,Liu，Jia.,...&Liu，Mingyue.(2023).Updating and evaluating the NH3 gas-phase chemical mechanism of MOZART-4 in the WRF-Chem model.Environmental Pollution,333.

Li，Guangyao,et al."Updating and evaluating the NH3 gas-phase chemical mechanism of MOZART-4 in the WRF-Chem model".Environmental Pollution 333(2023).