DOI: 10.1016/j.atmosenv.2017.07.008
Scopus记录号: 2-s2.0-85021925808
论文题名: Oligomerization reactions for precursors to secondary organic aerosol: Comparison between two formation mechanisms for the oligomeric hydroxyalkyl hydroperoxides
作者: Zhao Q ; , Wang W ; , Liu F ; , Lü J ; , Wang W
刊名: Atmospheric Environment
ISSN: 0168-2563
EISSN: 1573-515X
出版年: 2017
卷: 166 起始页码: 1
结束页码: 8
语种: 英语
英文关键词: Kinetic parameters
; Mechanism
; Oligomeric hydroxyalkyl hydroperoxides
; Reactivity
Scopus关键词: Aerosols
; Kinetic parameters
; Mechanisms
; Oligomerization
; Oligomers
; Reactivity (nuclear)
; Criegee intermediates
; Dominant pathways
; Formation mechanism
; Hydroperoxides
; Negative temperatures
; Rate coefficients
; Secondary organic aerosols
; Sequential addition
; Reaction intermediates
; hydroperoxide derivative
; aerosol
; aerosol formation
; comparative study
; formation mechanism
; organic compound
; peroxy radical
; reaction kinetics
; reaction rate
; addition reaction
; Article
; chemical interaction
; chemical reaction
; oligomerization
; priority journal
; secondary organic aerosol
; temperature dependence
Scopus学科分类: Environmental Science: Water Science and Technology
; Earth and Planetary Sciences: Earth-Surface Processes
; Environmental Science: Environmental Chemistry
英文摘要: To better understand the formation mechanism of oligomeric hydroxyalkyl hydroperoxides HOROO(SCI)nH composed of stabilized Criegee intermediate (SCI) as a chain unit, the reactions of SCI with hydroxyalkyl hydroperoxides (HOROOH) and hydroxyalkylperoxy radical (HORO2) as well as HO2 radical were investigated. For the reactions of HORO2 + SCI, two preferred pathways involving a SCI insertion in HOROOH hydroperoxide bond can be found, and the formation of HOROO(SCI)H is the dominant pathway in the reaction of HOCH2(CH3)2COOH + (CH3)2COO. The structures of the HORO2, HOROOH as well as the SCIs play a crucial role in determining the reactivity of the oligomerization. Both the reactions of HORO2 + SCI + HO2 and HOROOH + SCI could be the source of the processors to the formation of secondary organic aerosol (SOA). But from the point of free energy barriers, the formation of HOROO(SCI)H prefers to follow the mechanism involving initiation by the reaction of a HORO2 and a SCI, sequential addition of SCIs, and termination by reaction with the HO2 radical. The rate coefficients show negative temperature dependence and vary in different systems depending on the reactants. The reaction process and constituents of the products can be regulated by temperature and reactants. © 2017 Elsevier Ltd Citation statistics:
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/82607
Appears in Collections: 气候变化事实与影响
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作者单位: Key Laboratory for Macromolecular Science of Shaanxi Province, School of Chemistry and Chemical Engineering, Shaanxi Normal University, Xi'an, Shaanxi, China; Xi'an Modern Chemistry Research Institute, Xi'an, Shaanxi, China
Recommended Citation:
Zhao Q,, Wang W,, Liu F,et al. Oligomerization reactions for precursors to secondary organic aerosol: Comparison between two formation mechanisms for the oligomeric hydroxyalkyl hydroperoxides[J]. Atmospheric Environment,2017-01-01,166