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DOI	10.5194/acp-19-13341-2019
	Effects of stabilized Criegee intermediates (sCIs) on sulfate formation: A sensitivity analysis during summertime in Beijing-Tianjin-Hebei (BTH); China
	Liu L.; Bei N.; Wu J.; Liu S.; Zhou J.; Li X.; Yang Q.; Feng T.; Cao J.; Tie X.; Li G.
发表日期	2019
ISSN	16807316
起始页码	13341
结束页码	13354
卷号	19 期号:21
英文摘要	Sulfate aerosols have profound impacts on the climate, ecosystem, visibility, and public health, but the sulfate formation pathway remains elusive. In the present study, a source-oriented WRF-Chem model is applied to simulate a persistent air pollution episode from 4 to 15 July 2015 in Beijing-Tianjin-Hebei (BTH), China, to study the contributions of four pathways to sulfate formation. When comparing simulations to measurements in BTH, the index of agreement (IOA) of meteorological parameters, air pollutants, and aerosol species generally exceeds 0.6. On average in BTH, the heterogeneous reaction of SO2 involving aerosol water and the SO2 oxidation by OH constitutes the two most important sulfate sources, with a contribution of about 35 %-38% and 33 %-36 %, respectively. Primary sulfate emissions account for around 22 %-24% of the total sulfate concentration. SO2 oxidation by stabilized Criegee intermediates (sCIs) also plays an appreciable role in sulfate formation, with a contribution of around 9% when an upper limit of the reaction rate constant of sCIs with SO2 (KsCI + SO2 = 3.9×10-11 cm3 s-1) and a lower limit of the reaction rate constant of sCIs with H2O (KsCI + H2O = 1.97 × 10-18 cm3 s-1) are used. Sensitivity studies reveal that there are still large uncertainties in the sulfate contribution of SO2 oxidation by sCIs. The sulfate contribution of the reaction is decreased to less than 3% when KsCI + SO2 is decreased to 6.0 × 10-13 cm3 s-1. Furthermore, when KsCI + H2O is increased to 2.38 × 10-15 cm3 s-1 based on the reported ratio of KsCI + H2O to KsCI + So2 (6.1 × 10-5), the sulfate contribution becomes insignificant at less than 2 %. Further studies need to be conducted to better determine KsCI + SO2 and KsCI + H2O to evaluate the effects of sCI chemistry on sulfate formation. © 2019 Author(s).
语种	英语
scopus关键词	aerosol; atmospheric pollution; oxidation; reaction rate; sensitivity analysis; sulfate; summer; Beijing [China]; China; Hebei; Tianjin
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/144753
作者单位	Key Lab of Aerosol Chemistry and Physics, SKLLQG, Institute of Earth Environment, Chinese Academy of Sciences, Xi'an, 710061, China; School of Human Settlements and Civil Engineering, Xi'An Jiaotong University, Xi'an, Shaanxi, 710049, China; CAS Center for Excellence in Quaternary Science and Global Change, Xi'an, 710061, China; University of Chinese Academy of Sciences, Beijing, 100049, China
推荐引用方式 GB/T 7714	Liu L.,Bei N.,Wu J.,et al. Effects of stabilized Criegee intermediates (sCIs) on sulfate formation: A sensitivity analysis during summertime in Beijing-Tianjin-Hebei (BTH); China[J],2019,19(21).
APA	Liu L..,Bei N..,Wu J..,Liu S..,Zhou J..,...&Li G..(2019).Effects of stabilized Criegee intermediates (sCIs) on sulfate formation: A sensitivity analysis during summertime in Beijing-Tianjin-Hebei (BTH); China.Atmospheric Chemistry and Physics,19(21).
MLA	Liu L.,et al."Effects of stabilized Criegee intermediates (sCIs) on sulfate formation: A sensitivity analysis during summertime in Beijing-Tianjin-Hebei (BTH); China".Atmospheric Chemistry and Physics 19.21(2019).