IEECAS OpenIR  > 粉尘与环境研究室
Effect of oligomerization reactions of Criegee intermediate with organicacid/peroxy radical on secondary organic aerosol formation from isopreneozonolysis
Chen, L(Chen, Long)1,2; Huang, Y(Huang, Yu)1,2; Xue, YG(Xue,Yonggang)1,2; Wang, WL(Wang, Wenliang)3; Huang, Yu
2018-08
发表期刊Atmospheric Environment
卷号187期号:2018页码:218-229
文章类型期刊论文
摘要Secondary organic aerosols (SOA) have significant effects on atmospheric chemistry, human health and climate forcing, but their formation mechanisms via Criegee chemistry are still poorly understood. Here we present a comprehensive theoretical investigation on the oligomerization reaction of stabilized Criegee intermediates (SCIs) with organic acid/peroxy radical by using ab initio quantum-chemical methodologies. Our results show that the ozonolysis of isoprene easily leads to a series of C3 and C4 stable CIs due to its larger exothermicity and spontaneity. The formed SCIs have two isomers: syn- and anti-, and anti- is more stable in energy than that of syn- by about 2–5 kcal mol⁻¹. The barrier heights of oligomerization reactions are very sensitive to the size and structure of functional groups near the central carbon atom site, indicating they can be tuned by the substitutions. Reaction between SCIs and peroxy radical contributes significantly to the formation of oligomer which is the dominant component of SOA. However, the reaction between SCIs and organic acid plays an important role in aerosol nucleation in some regions where high SCI and low H2O concentrations occur such as in terrestrial equatorial area. Such knowledge should be useful for understanding the mechanism of SOA formation from alkenes ozonolysis and for developing atmospheric chemistry models.
关键词Isoprene Ozonolysis Criegee Intermediates Oligomerization Reactions Reaction Mechanisms Rate Coefficients
DOI10.1016/j.atmosenv.2018.06.001
收录类别SCI
所属项目编号2016YFA0203000 ; 41401567 ; 41573138 ; 21473108 ; GJHZ1543 ; PolyU152083/14E ; SKLLQG1627 ; 2017BSHEDZZ62
语种英语
项目资助者National Key Research andDevelopment Program of China ; National Key Research andDevelopment Program of China ; NationalScience Foundation of China ; NationalScience Foundation of China ; Key Project ofInternational Coperation of the Chinese Academy of Sciences ; Key Project ofInternational Coperation of the Chinese Academy of Sciences ; Research Grants Council of Hong Kong ; Research Grants Council of Hong Kong ; Open foundation of State Key Laboratory of Loess andQuaternary Geology ; Open foundation of State Key Laboratory of Loess andQuaternary Geology ; Shaanxi ProvincePostdoctoral Science Foundation funded project ; Shaanxi ProvincePostdoctoral Science Foundation funded project
引用统计
文献类型期刊论文
条目标识符http://ir.ieecas.cn/handle/361006/5268
专题粉尘与环境研究室
通讯作者Huang, Yu
作者单位1.Key Lab of Aerosol Chemistry & Physics, Institute of Earth Environment, Chinese Academy of Sciences, Xi'an, Shaanxi, 710061, China
2.State Key Laboratory of Loess and Quaternary Geology, Institute of Earth Environment, Chinese Academy of Sciences, Xi'an 710061, China
3.School of Chemistry and Chemical Engineering, Key Laboratory for Macromolecular Science of Shaanxi Province, Shaanxi Normal University, Xi'an, Shaanxi, 710119,China
推荐引用方式
GB/T 7714
Chen, L,Huang, Y,Xue, YG,et al. Effect of oligomerization reactions of Criegee intermediate with organicacid/peroxy radical on secondary organic aerosol formation from isopreneozonolysis[J]. Atmospheric Environment,2018,187(2018):218-229.
APA Chen, L,Huang, Y,Xue, YG,Wang, WL,&Huang, Yu.(2018).Effect of oligomerization reactions of Criegee intermediate with organicacid/peroxy radical on secondary organic aerosol formation from isopreneozonolysis.Atmospheric Environment,187(2018),218-229.
MLA Chen, L,et al."Effect of oligomerization reactions of Criegee intermediate with organicacid/peroxy radical on secondary organic aerosol formation from isopreneozonolysis".Atmospheric Environment 187.2018(2018):218-229.
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
Effect of oligomeriz(3233KB)期刊论文出版稿开放获取CC BY-NC-SA请求全文
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Chen, L(Chen, Long)]的文章
[Huang, Y(Huang, Yu)]的文章
[Xue, YG(Xue,Yonggang)]的文章
百度学术
百度学术中相似的文章
[Chen, L(Chen, Long)]的文章
[Huang, Y(Huang, Yu)]的文章
[Xue, YG(Xue,Yonggang)]的文章
必应学术
必应学术中相似的文章
[Chen, L(Chen, Long)]的文章
[Huang, Y(Huang, Yu)]的文章
[Xue, YG(Xue,Yonggang)]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。