| Updating and evaluating the NH3 gas-phase chemical mechanism of MOZART-4 in the WRF-Chem model | |
Li, Guangyao1; Chen, Q(陈强)1,2 ; Sun, Wei1; She, Jing1; Liu, Jia1; Zhu, Yuhuan1; Guo, Wenkai3; Zhang, Ruixin4; Zhu, Yufan1; Liu, Mingyue5 | |
| 2023-09-15 | |
| Online publication date | 2023-06 |
| Source Publication | ENVIRONMENTAL POLLUTION Impact Factor & Quartile |
| ISSN | 0269-7491 |
| Volume | 333 |
| page numbers | 8 |
| Abstract | 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 NH3 and OH to generate NH2 and its subsequent reactions are often ignored in the MOZART-4 chemical mechanism. To solve this problem, the gas-phase chemical mechanism of NH3 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 NH3 chemical mechanism on the O3 simulated concentration, the nonlinear response relationship of O3 and its precursors, the chemical reaction rate of O3 generation and the meteorological transport process. The results show that the updated NH3 chemical mechanism can reduce the error between the simulated and observed O3 concentrations and better simulate the O3 concentration. Compared with the Base scenario (original chemical mechanism simulated), the first-order term of NH3 in the Updated scenario (updated NH3 chemical mechanism simulated) in RSM passed the significance test (p 3 emissions have an influence on the O3 simulation, and the effects of the updated NH3 chemical mechanism on NOx-VOC-O3 in different cities are different. In addition, the analysis of chemical reaction rate changes showed that NH3 can affect the generation of O3 by affecting the NOx concentration and NOx circulation with radicals of OH and HO2 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 O3 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. © 2023 Elsevier Ltd |
| Keyword | Air quality Ammonia Atmospheric chemistry Atmospheric movements Gases Nitrogen oxides Phase interfaces Reaction rates Air pollution predictions Air quality models Chemical mechanism Chemical reaction rates Gas-phases IRR Key factors O3 Response-surface methodology WRF/Chem |
| Publisher | Elsevier Ltd |
| DOI | 10.1016/j.envpol.2023.122070 |
| Indexed By | EI ; SCIE |
| Language | 英语 |
| WOS Research Area | Environmental Sciences & Ecology |
| WOS Subject | Environmental Sciences |
| WOS ID | WOS:001029033100001 |
| EI Accession Number | 20232514261679 |
| EI Keywords | Quality control |
| EI Classification Number | 443.1 Atmospheric Properties ; 451.2 Air Pollution Control ; 801.1 Chemistry, General ; 801.4 Physical Chemistry ; 802.2 Chemical Reactions ; 804.2 Inorganic Compounds ; 913.3 Quality Assurance and Control |
| Original Document Type | Journal article (JA) |
| PMID | 37331578 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | https://ir.lzu.edu.cn/handle/262010/532200 |
| Collection | 大气科学学院 |
| Corresponding Author | Chen, Qiang |
| Affiliation | 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 |
| First Author Affilication | College of Atmospheric Sciences |
| Corresponding Author Affilication | College of Atmospheric Sciences; Lanzhou University |
| Recommended Citation GB/T 7714 | 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. |
| APA | 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. |
| MLA | 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). |
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