兰州大学机构库
Effects of chemical boundary conditions on simulated O3 concentrations in China and their chemical mechanisms
Li, Guangyao1; Chen, Qiang1; Zhu, Yufan1; Sun, Wei1; Guo, Wenkai1; Zhang, Ruixin1; Zhu, Yuhuan1; She, Jing1
2023-01-20
Online publication date2022-10
Source PublicationSCIENCE OF THE TOTAL ENVIRONMENT   Impact Factor & Quartile
ISSN0048-9697
Volume857
page numbers12
AbstractChemical boundary conditions (BCs) are important inputs for regional chemical transport models. In this study, we use the brute-force method (BFM), process analysis (PA) and response surface model (RSM) to quantify the effects of BCs on simulated O3 concentrations in different regions of China by the weather research and forecasting with chemistry (WRF–Chem) model. We combine the model with an integrated gas-phase reaction rate (IRR) tool to further analyze the changes in the O3 chemical mechanisms. Our results show that the simulated O3 concentrations in western cities are significantly affected by the O3 in the BCs (BC-O3), which can increase the maximum simulated O3 concentration, such as in Lanzhou (36.6 μg/m3, 26.3 %), Wuhai (30.1 μg/m3, 25.5 %) and Urumqi (50.7 μg/m3, 41.2 %). In contrast, O3 generation in the eastern region is dominated by emissions. Subsequently, we compare the reaction rate changes in O3 generation and consumption under the effects of BC-O3 in the western city of Urumqi and the eastern city of Beijing. The results show that in Beijing, the O3 concentration and the related chemical reaction rates undergo little change, while in Urumqi, the concentration and reaction rates have significant differences. The BC-O3 significantly accelerates the O3 photochemical reaction process in Urumqi, resulting in increased O3 generation and consumption reaction rates; additionally, there may be a chemical reaction pathway for the formation of O3: BC-O3 + NO → NO2 + hv → O + O2 → O3. BC-O3 transmission is the main pathway of changes in the simulated O3 concentration in the study area, and the chemical reactions between BC-O3 and local pollutants are primarily characterized by O3 consumption. In conclusion, the study shows the importance of BCs for regional model simulation while providing supporting information for O3 formation in model studies. © 2022 Elsevier B.V.
KeywordChemical analysis Gases Phase interfaces Photochemical reactions Reaction rates Weather forecasting Chemical boundary condition Chemical mechanism Effect of chemicals IRR O3 Reactions rates Regional chemical transport model Response surface modelling Weather research and forecasting Weather research and forecasting with chemistry WRF-Chem Chemical boundary conditions RSM
PublisherElsevier B.V.
DOI10.1016/j.scitotenv.2022.159500
Indexed ByEI ; SCIE
Language英语
WOS Research AreaEnvironmental Sciences & Ecology
WOS SubjectEnvironmental Sciences
WOS IDWOS:000898677200006
EI Accession Number20224313004157
EI KeywordsBoundary conditions
EI Classification Number443 Meteorology ; 741.1 Light/Optics ; 801.4 Physical Chemistry ; 802.2 Chemical Reactions
Original Document TypeJournal article (JA) ; Article
PMID 36265629
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttps://ir.lzu.edu.cn/handle/262010/491651
Collection兰州大学
化学化工学院
公共卫生学院
Corresponding AuthorChen, Qiang
Affiliation
1.State Key Laboratory of Applied Organic Chemistry and Key Laboratory of Nonferrous Metal Chemistry and Resources Utilization of Gansu Province, College of Chemistry and Chemical Engineering, Lanzhou University, Gansu, Lanzhou; 730000, China;
2.Institute of Toxicology, School of Public Health, Lanzhou University, Lanzhou; 730000, China;
3.Institute of Materia Medica & College of Life Science and Technology, Xinjiang University, Urumqi; 830017, China
First Author AffilicationCollege of Chemistry and Chemical Engineering
Corresponding Author AffilicationCollege of Chemistry and Chemical Engineering
Recommended Citation
GB/T 7714
Li, Guangyao,Chen, Qiang,Zhu, Yufan,et al. Effects of chemical boundary conditions on simulated O3 concentrations in China and their chemical mechanisms[J]. SCIENCE OF THE TOTAL ENVIRONMENT,2023,857.
APA Li, Guangyao.,Chen, Qiang.,Zhu, Yufan.,Sun, Wei.,Guo, Wenkai.,...&She, Jing.(2023).Effects of chemical boundary conditions on simulated O3 concentrations in China and their chemical mechanisms.SCIENCE OF THE TOTAL ENVIRONMENT,857.
MLA Li, Guangyao,et al."Effects of chemical boundary conditions on simulated O3 concentrations in China and their chemical mechanisms".SCIENCE OF THE TOTAL ENVIRONMENT 857(2023).
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