Articles | Volume 8, issue 10
https://doi.org/10.5194/gmd-8-3151-2015
© Author(s) 2015. This work is distributed under
the Creative Commons Attribution 3.0 License.
the Creative Commons Attribution 3.0 License.
https://doi.org/10.5194/gmd-8-3151-2015
© Author(s) 2015. This work is distributed under
the Creative Commons Attribution 3.0 License.
the Creative Commons Attribution 3.0 License.
Development of a chlorine chemistry module for the Master Chemical Mechanism
L. K. Xue
CORRESPONDING AUTHOR
Environment Research Institute, Shandong University, Ji'nan, Shandong, China
S. M. Saunders
School of Chemistry and Biochemistry, University of Western Australia, WA, Australia
Environment Research Institute, Shandong University, Ji'nan, Shandong, China
Department of Civil and Environmental Engineering, Hong Kong Polytechnic University, Hong Kong, China
R. Gao
Environment Research Institute, Shandong University, Ji'nan, Shandong, China
X. F. Wang
Environment Research Institute, Shandong University, Ji'nan, Shandong, China
Q. Z. Zhang
Environment Research Institute, Shandong University, Ji'nan, Shandong, China
W. X. Wang
Environment Research Institute, Shandong University, Ji'nan, Shandong, China
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49 citations as recorded by crossref.
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- Ozone pollution in China: A review of concentrations, meteorological influences, chemical precursors, and effects T. Wang et al. 10.1016/j.scitotenv.2016.10.081
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- Optimization of UV/H2O2and ozone wastewater treatment by the experimental design methodology J. Malvestiti et al. 10.1080/09593330.2018.1432698
- Oxidizing capacity of the rural atmosphere in Hong Kong, Southern China Z. Li et al. 10.1016/j.scitotenv.2017.08.310
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- Near-Explicit Multiphase Modeling of Halogen Chemistry in a Mixed Urban and Maritime Coastal Area E. Hoffmann et al. 10.1021/acsearthspacechem.9b00184
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- Multiphase Chemistry Controls Inorganic Chlorinated and Nitrogenated Compounds in Indoor Air during Bleach Cleaning J. Mattila et al. 10.1021/acs.est.9b05767
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- Midlatitude Ozone Depletion and Air Quality Impacts from Industrial Halogen Emissions in the Great Salt Lake Basin C. Womack et al. 10.1021/acs.est.2c05376
- Impact and pathway of halogens on atmospheric oxidants in coastal city clusters in the Yangtze River Delta region in China H. Chen et al. 10.1016/j.apr.2023.101979
- Model simulation of NO 3 , N 2 O 5 and ClNO 2 at a rural site in Beijing during CAREBeijing-2006 H. Wang et al. 10.1016/j.atmosres.2017.06.013
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- A Modelling Study of Indoor Air Chemistry: The Surface Interactions of Ozone and Hydrogen Peroxide T. Carter et al. 10.1016/j.atmosenv.2023.119598
- Strong deviations from the NO-NO2-O3 photostationary state in the Pearl River Delta: Indications of active peroxy radical and chlorine radical chemistry Y. Ma et al. 10.1016/j.atmosenv.2017.05.012
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- Photodissociation of particulate nitrate as a source of daytime tropospheric Cl2 X. Peng et al. 10.1038/s41467-022-28383-9
- Observations of nitryl chloride and modeling its source and effect on ozone in the planetary boundary layer of southern China T. Wang et al. 10.1002/2015JD024556
- Primary Radical Effectiveness: Do the Different Chemical Reactivities of Hydroxyl and Chlorine Radicals Matter for Tropospheric Oxidation? P. Edwards & C. Young 10.1021/acsestair.3c00108
- Strong ozone production at a rural site in theNorth China Plain: Mixed effects of urban plumesand biogenic emissions R. Zong et al. 10.1016/j.jes.2018.05.003
- Formation and impacts of nitryl chloride in Pearl River Delta H. Wang et al. 10.5194/acp-22-14837-2022
- Multiphase Photochemistry of Iron-Chloride Containing Particles as a Source of Aqueous Chlorine Radicals and Its Effect on Sulfate Production M. Gen et al. 10.1021/acs.est.0c01540
49 citations as recorded by crossref.
- Potential Effect of Halogens on Atmospheric Oxidation and Air Quality in China Q. Li et al. 10.1029/2019JD032058
- Atmospheric chemistry of molecular chlorine Q. Zang et al. 10.1360/TB-2024-0465
- Characteristics and formation mechanisms of atmospheric carbonyls in an oilfield region of northern China T. Chen et al. 10.1016/j.atmosenv.2022.118958
- Observations and Explicit Modeling of Summertime Carbonyl Formation in Beijing: Identification of Key Precursor Species and Their Impact on Atmospheric Oxidation Chemistry X. Yang et al. 10.1002/2017JD027403
- Abundance and origin of fine particulate chloride in continental China X. Yang et al. 10.1016/j.scitotenv.2017.12.205
- Significant concentrations of nitryl chloride sustained in the morning: investigations of the causes and impacts on ozone production in a polluted region of northern China Y. Tham et al. 10.5194/acp-16-14959-2016
- Volatile organic compounds and ozone air pollution in an oil production region in northern China T. Chen et al. 10.5194/acp-20-7069-2020
- CAPRAM reduction towards an operational multiphase halogen and dimethyl sulfide chemistry treatment in the chemistry transport model COSMO-MUSCAT(5.04e) E. Hoffmann et al. 10.5194/gmd-13-2587-2020
- Ozone pollution in China: A review of concentrations, meteorological influences, chemical precursors, and effects T. Wang et al. 10.1016/j.scitotenv.2016.10.081
- Unclassical Radical Generation Mechanisms in the Troposphere: A Review X. Yang et al. 10.1021/acs.est.4c00742
- Optimization of UV/H2O2and ozone wastewater treatment by the experimental design methodology J. Malvestiti et al. 10.1080/09593330.2018.1432698
- Oxidizing capacity of the rural atmosphere in Hong Kong, Southern China Z. Li et al. 10.1016/j.scitotenv.2017.08.310
- Impacts of heterogeneous uptake of dinitrogen pentoxide and chlorine activation on ozone and reactive nitrogen partitioning: improvement and application of the WRF-Chem model in southern China Q. Li et al. 10.5194/acp-16-14875-2016
- Fast near-surface ClNO2 production and its impact on O3 formation during a heavy pollution event in South China X. Chen et al. 10.1016/j.scitotenv.2022.159998
- Inter-comparison of the Regional Atmospheric Chemistry Mechanism (RACM2) and Master Chemical Mechanism (MCM) on the simulation of acetaldehyde R. Zong et al. 10.1016/j.atmosenv.2018.05.013
- Chemical drivers of ozone change in extreme temperatures in eastern China X. Meng et al. 10.1016/j.scitotenv.2023.162424
- Nitrate formation from heterogeneous uptake of dinitrogen pentoxide during a severe winter haze in southern China H. Yun et al. 10.5194/acp-18-17515-2018
- Oxidative capacity and radical chemistry in the polluted atmosphere of Hong Kong and Pearl River Delta region: analysis of a severe photochemical smog episode L. Xue et al. 10.5194/acp-16-9891-2016
- Observations of N 2 O 5 and ClNO 2 at a polluted urban surface site in North China: High N 2 O 5 uptake coefficients and low ClNO 2 product yields X. Wang et al. 10.1016/j.atmosenv.2017.02.035
- Carbonyl compounds at Mount Tai in the North China Plain: Characteristics, sources, and effects on ozone formation X. Yang et al. 10.1016/j.atmosres.2017.06.005
- Near-Explicit Multiphase Modeling of Halogen Chemistry in a Mixed Urban and Maritime Coastal Area E. Hoffmann et al. 10.1021/acsearthspacechem.9b00184
- Comprehensive multiphase chlorine chemistry in the box model CAABA/MECCA: implications for atmospheric oxidative capacity M. Soni et al. 10.5194/acp-23-15165-2023
- Secondary Formation and Impacts of Gaseous Nitro-Phenolic Compounds in the Continental Outflow Observed at a Background Site in South China Y. Chen et al. 10.1021/acs.est.1c04596
- Attributing Increases in Ozone to Accelerated Oxidation of Volatile Organic Compounds at Reduced Nitrogen Oxides Concentrations Z. Zhang et al. 10.1093/pnasnexus/pgac266
- Radical chemistry at a rural site (Wangdu) in the North China Plain: observation and model calculations of OH, HO<sub>2</sub> and RO<sub>2</sub> radicals Z. Tan et al. 10.5194/acp-17-663-2017
- Atmospheric oxidizing capacity in autumn Beijing: Analysis of the O3 and PM2.5 episodes based on observation-based model C. Jia et al. 10.1016/j.jes.2021.11.020
- Quantifying Concentrations and Emissions of Hexachlorobutadiene - A New Atmospheric Persistent Organic Pollutant in northern China M. Yang et al. 10.1016/j.envres.2022.114139
- Peroxy radical chemistry during ozone photochemical pollution season at a suburban site in the boundary of Jiangsu–Anhui–Shandong–Henan region, China N. Wei et al. 10.1016/j.scitotenv.2023.166355
- Multiphase Chemistry Controls Inorganic Chlorinated and Nitrogenated Compounds in Indoor Air during Bleach Cleaning J. Mattila et al. 10.1021/acs.est.9b05767
- Higher measured than modeled ozone production at increased NO<sub><i>x</i></sub> levels in the Colorado Front Range B. Baier et al. 10.5194/acp-17-11273-2017
- Large Daytime Molecular Chlorine Missing Source at a Suburban Site in East China Q. Chen et al. 10.1029/2021JD035796
- Box Model Applications for Atmospheric Chemistry Research: Photochemical Reactions and Ozone Formation S. Park 10.5572/KOSAE.2023.39.5.627
- Efficient N<sub>2</sub>O<sub>5</sub> uptake and NO<sub>3</sub> oxidation in the outflow of urban Beijing H. Wang et al. 10.5194/acp-18-9705-2018
- Midlatitude Ozone Depletion and Air Quality Impacts from Industrial Halogen Emissions in the Great Salt Lake Basin C. Womack et al. 10.1021/acs.est.2c05376
- Impact and pathway of halogens on atmospheric oxidants in coastal city clusters in the Yangtze River Delta region in China H. Chen et al. 10.1016/j.apr.2023.101979
- Model simulation of NO 3 , N 2 O 5 and ClNO 2 at a rural site in Beijing during CAREBeijing-2006 H. Wang et al. 10.1016/j.atmosres.2017.06.013
- Winter ClNO<sub>2</sub> formation in the region of fresh anthropogenic emissions: seasonal variability and insights into daytime peaks in northern China M. Xia et al. 10.5194/acp-21-15985-2021
- Observations and impacts of bleach washing on indoor chlorine chemistry J. Wong et al. 10.1111/ina.12402
- PM2.5 and O3 relationships affected by the atmospheric oxidizing capacity in the Yangtze River Delta, China M. Qin et al. 10.1016/j.scitotenv.2021.152268
- Production of N<sub>2</sub>O<sub>5</sub> and ClNO<sub>2</sub> in summer in urban Beijing, China W. Zhou et al. 10.5194/acp-18-11581-2018
- A Modelling Study of Indoor Air Chemistry: The Surface Interactions of Ozone and Hydrogen Peroxide T. Carter et al. 10.1016/j.atmosenv.2023.119598
- Strong deviations from the NO-NO2-O3 photostationary state in the Pearl River Delta: Indications of active peroxy radical and chlorine radical chemistry Y. Ma et al. 10.1016/j.atmosenv.2017.05.012
- Evaluating the sensitivity of radical chemistry and ozone formation to ambient VOCs and NO<sub><i>x</i></sub> in Beijing L. Whalley et al. 10.5194/acp-21-2125-2021
- Photodissociation of particulate nitrate as a source of daytime tropospheric Cl2 X. Peng et al. 10.1038/s41467-022-28383-9
- Observations of nitryl chloride and modeling its source and effect on ozone in the planetary boundary layer of southern China T. Wang et al. 10.1002/2015JD024556
- Primary Radical Effectiveness: Do the Different Chemical Reactivities of Hydroxyl and Chlorine Radicals Matter for Tropospheric Oxidation? P. Edwards & C. Young 10.1021/acsestair.3c00108
- Strong ozone production at a rural site in theNorth China Plain: Mixed effects of urban plumesand biogenic emissions R. Zong et al. 10.1016/j.jes.2018.05.003
- Formation and impacts of nitryl chloride in Pearl River Delta H. Wang et al. 10.5194/acp-22-14837-2022
- Multiphase Photochemistry of Iron-Chloride Containing Particles as a Source of Aqueous Chlorine Radicals and Its Effect on Sulfate Production M. Gen et al. 10.1021/acs.est.0c01540
Saved (final revised paper)
Latest update: 04 Nov 2024
Short summary
A detailed chemical mechanism including 205 reactions is developed for use in the Master Chemical Mechanism. With this new chlorine mechanism, it was found that the nocturnal formation of ClNO2 has high potential to perturb the next day's atmospheric photochemistry, by enhancing the radical production and cycling, VOC oxidation and O3 formation, in the polluted coastal environments.
A detailed chemical mechanism including 205 reactions is developed for use in the Master...