标题:Theoretical study on the atmospheric oxidation reaction of 2-furanaldehyde initiated by NO3 radicals
作者:Huang, Zixiao; Zhao, Nan; Ma, Xiaohui; Xu, Fei; Zhang, Qingzhu; Zhuang, Tao; Wang, Wenxing
作者机构:[Huang, Zixiao; Ma, Xiaohui; Xu, Fei; Zhang, Qingzhu; Wang, Wenxing] Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China.; [Zhao, Nan] 更多
通讯作者:Zhuang, T
通讯作者地址:[Zhuang, T]Jinan Environm Res Acad, Jinan 250102, Shandong, Peoples R China.
来源:CHEMICAL PHYSICS LETTERS
出版年:2019
卷:722
页码:50-57
DOI:10.1016/j.cplett.2019.03.009
关键词:Furanaldehydes; Atmospheric oxidation; Reaction mechanism; Rate; constants
摘要:Furanaldehydes have raised environmental attention due to their large emission and high potential to generate secondary organic aerosol. In this study, the removal process of 2-furanaldehyde initiated by NO3 in gas phase was investigated by quantum chemical calculations. The overall rate constant for trans-2-furanaldehyde initiated by NO3 is 1.04x10(-12) cm(3) molecule(-1) s(-1) at 298 K and 1 atm. The atmospheric lifetime of 2-furanaldehyde with NO3 is estimated to be 0.53 h. This study indicates that the night-time reactions of 2-furanaldehyde with NO3 could contribute to the oxidative capacity of the atmosphere, secondary organic aerosol formation and new particle formation.
收录类别:SCOPUS;SCIE
资源类型:期刊论文
原文链接:https://www.scopus.com/inward/record.uri?eid=2-s2.0-85062612779&doi=10.1016%2fj.cplett.2019.03.009&partnerID=40&md5=52295d4903f3344307dc6adcae51f7b3
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