Development of the SAPRC-07 chemical mechanism |
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| Authors: | William P.L. Carter |
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| Affiliation: | 1. College of Environmental Sciences and Engineering, State Key Joint Laboratory of Environmental Simulation and Pollution Control, Peking University, Beijing, PR China;2. Chongqing Environmental Monitoring Center, Chongqing, PR China;3. Department of Environmental Health, Harvard T.H. Chan School of Public Health, Boston, MA, USA;1. Cold and Arid Regions Environmental and Engineering Research Institute, Chinese Academy of Sciences, Lanzhou 730000, China;2. Institute of Atmospheric Physics, Chinese Academy of Sciences, Beijing 100029, China;3. University of Chinese Academy of Sciences, Beijing 100049, China;1. State Key Laboratory of Water Environment Simulation, School of Environment, Beijing Normal University, Beijing 100875, China;2. Chengdu Academy of Environmental Sciences, Chengdu 610072, China;3. State Key Laboratory of Atmospheric Boundary Layer Physics and Atmospheric Chemistry, Institute of Atmospheric Physics, Chinese Academy of Sciences, Beijing 100029, China;4. State Key Joint Laboratory of Environment Simulation and Pollution Control, College of Environmental Sciences and Engineering, Peking University, Beijing 100871, China;5. Beijing Municipal Environmental Monitoring Center, Beijing 100048, China;1. Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, Hong Kong;2. Hubei Provincial Environment Monitoring Center, Wuhan, China;3. Department of Environmental Sciences, School of Resource and Environmental Sciences, Wuhan University, Wuhan, China;1. State Key Joint Laboratory of Environmental Simulation and Pollution Control, College of Environmental Sciences and Engineering, Peking University, Beijing, China;2. Chengdu Academy of Environmental Sciences, Chengdu, China;3. Beijing Innovation Center for Engineering Sciences and Advanced Technology, Peking University, 100871, Beijing, China |
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| Abstract: | An updated version of the SAPRC-99 gas-phase atmospheric chemical mechanism, designated SAPRC-07, is described. The rate constants and reactions have been updated based on current data and evaluations, the aromatics mechanisms have been reformulated and are less parameterized, chlorine chemistry has been added, the method used to represent peroxy reactions has been reformulated to be more appropriate for modeling gas-phase secondary organic aerosol precursors, and representations for many types of VOCs have been added or improved. This mechanism was evaluated against the result of ～2400 environmental chamber experiments carried out in 11 different environmental chambers, including experiments to test mechanisms for over 110 types of VOCs. The performance in simulating the chamber data was generally satisfactory for most types of VOCs but some biases were seen in simulations of some types of experiments. The mechanism was used to derive updated MIR and other ozone reactivity scales for almost 1100 types of VOCs, though in most cases the changes in MIR values relative to SAPRC-99 were not large. This mechanism update results in somewhat lower predictions of ozone in one-day ambient model scenarios under low VOC/NOx conditions. The files needed to implement the mechanism and additional documentation is available at the SAPRC mechanism web site at http://www.cert.ucr.edu/～carter/SAPRC. |
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