气候变化领域集成服务门户(CCPortal): Development and evaluation of a new compact mechanism for aromatic oxidation in atmospheric models

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DOI	10.5194/acp-21-18351-2021
	Development and evaluation of a new compact mechanism for aromatic oxidation in atmospheric models
	Bates K.H.; Jacob D.J.; Li K.; Ivatt P.D.; Evans M.J.; Yan Y.; Lin J.
发表日期	2021
ISSN	1680-7316
起始页码	18351
结束页码	18374
卷号	21 期号:24
英文摘要	Aromatic hydrocarbons, including benzene, toluene, and xylenes, play an important role in atmospheric chemistry, but the associated chemical mechanisms are complex and uncertain. Sparing representation of this chemistry in models is needed for computational tractability. Here, we develop a new compact mechanism for aromatic chemistry (GC13) that captures current knowledge from laboratory and computational studies with only 17 unique species and 44 reactions. We compare GC13 to six other currently used mechanisms of varying complexity in box model simulations of environmental chamber data and diurnal boundary layer chemistry, and show that GC13 provides results consistent with or better than more complex mechanisms for oxygenated products (alcohols, carbonyls, dicarbonyls), ozone, and hydrogen oxide (HOxOH+HO2) radicals. Specifically, GC13 features increased radical recycling and increased ozone destruction from phenoxy-phenylperoxy radical cycling relative to other mechanisms. We implement GC13 into the GEOS-Chem global chemical transport model and find higher glyoxal yields and net ozone loss from aromatic chemistry compared with other mechanisms. Aromatic oxidation in the model contributes 23%, 5%, and 8% of global glyoxal, methylglyoxal, and formic acid production, respectively, and has mixed effects on formaldehyde. It drives small decreases in global tropospheric OH (-2.2%), NOx (NO+NO2; -3.7%), and ozone (-0.8%), but a large increase in NO3 (+22%) from phenoxy-phenylperoxy radical cycling. Regional effects in polluted environments can be substantially larger, especially from the photolysis of carbonyls produced by aromatic oxidation, which drives large wintertime increases in OH and ozone concentrations. © Copyright:
语种	英语
来源期刊	ATMOSPHERIC CHEMISTRY AND PHYSICS
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/246362
作者单位	Harvard John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, MA, United States; Department of Environmental Toxicology, University of California at Davis, Davis, CA, United States; School of Environmental Science and Engineering, Nanjing University of Information Science and Technology, Nanjing, China; Wolfson Atmospheric Chemistry Laboratories, Department of Chemistry, University of York, York, United Kingdom; National Centre for Atmospheric Science, Department of Chemistry, University of York, York, United Kingdom; Department of Atmospheric Sciences, School of Environmental Studies, China University of Geosciences (Wuhan), Wuhan, China; Laboratory for Climate and Ocean-Atmosphere Studies, Department of Atmospheric and Oceanic Sciences, School of Physics, Peking University, Beijing, China
推荐引用方式 GB/T 7714	Bates K.H.,Jacob D.J.,Li K.,et al. Development and evaluation of a new compact mechanism for aromatic oxidation in atmospheric models[J],2021,21(24).
APA	Bates K.H..,Jacob D.J..,Li K..,Ivatt P.D..,Evans M.J..,...&Lin J..(2021).Development and evaluation of a new compact mechanism for aromatic oxidation in atmospheric models.ATMOSPHERIC CHEMISTRY AND PHYSICS,21(24).
MLA	Bates K.H.,et al."Development and evaluation of a new compact mechanism for aromatic oxidation in atmospheric models".ATMOSPHERIC CHEMISTRY AND PHYSICS 21.24(2021).