A detailed mechanism for the gas-phase atmospheric reactions of organic compounds |
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| Institution: | 1. Department of Mechanical Engineering, The University of Hong Kong, Pokfulam Road, Hong Kong, China;2. Institute for Environmental and Climate Research, Jinan University, Guangzhou 511443, China;3. State Joint Key Laboratory of Environmental Simulation and Pollution Control, College of Environmental Sciences and Engineering, Peking University, Beijing 100871, China;4. Beijing Innovation Center for Engineering Science and Advanced Technology (BIC-ESAT), Peking University, Beijing 100871, China;5. Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control, Nanjing University of Information Science & Technology, Nanjing 210044, China |
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| Abstract: | A gas-phase reaction mechanism for the atmospheric photooxidations of over 100 alkanes, alkenes, aromatic hydrocarbons, alcohols, ethers and other compounds representative of the range of reactive organics emitted into polluted atmospheres is described. Most of these organic species are represented using generalized reactions with variable rate constants and product yield coefficients for which individual assignments were made or estimated. This mechanism employs 19 species to repsent the reactive oxygenated and organic nitrate products, and includes the gas-phase reactions of SO2, but does not include heterogeneous or liquid-phase reactions. The evaluation of this mechanisms, by comparison of its predictions against the results over 500 environmental chamber experiments, described in a separate paper. This detailed mechanism can be used in assessments of relative atmospheric reactivities of organic compounds, and can provide the basis for the derivation of more condensed mechanisms for use in air quality simulation models. |
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