DOI: 10.1016/j.atmosenv.2014.12.061
Scopus记录号: 2-s2.0-84920913871
论文题名: The mechanism and kinetic model on the OH-initiated degradation of acetofenate in the atmosphere
作者: Kang L ; , Sun X ; , Zhang C ; , Zhang X ; , Chen J
刊名: Atmospheric Environment
ISSN: 0168-2563
EISSN: 1573-515X
出版年: 2015
卷: 103 起始页码: 357
结束页码: 364
语种: 英语
英文关键词: Acetofenate
; Atmospheric lifetime
; Kinetic model
; OH-initiated degradation mechanism
Scopus关键词: Aromatic compounds
; Degradation
; Free radicals
; Kinetic theory
; Kinetics
; Rate constants
; Acetofenate
; Atmospheric lifetime
; Bimolecular reaction
; Degradation mechanism
; Kinetic modeling
; Mechanism and kinetics
; Organochlorine pesticides
; Transition state theories
; Kinetic parameters
; acetofenate
; aldehyde
; hydroxide
; hydroxyl radical
; ketene derivative
; methyl group
; organochlorine pesticide
; peroxy radical
; unclassified drug
; water
; atmospheric chemistry
; biodegradation
; hydroxyl radical
; molecular analysis
; numerical model
; organochlorine
; oxidation
; pesticide
; temperature effect
; addition reaction
; Article
; atmosphere
; biodegradability
; chemical bond
; chemical reaction
; decomposition
; degradation kinetics
; dehydrogenation
; elimination reaction
; hydrogen bond
; oxidation
; priority journal
; reaction analysis
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: As an analog of DDT, acetofenate (AF), one of the organochlorine pesticides, is widely used in agricultural and mosquito sprayings. In this paper, the main reaction mechanism of AF with the OH radical and ensuing reactions are researched, including the OH-initiated reaction, oxidation reaction in the presence of O2, bimolecular reaction of AF-OH-O2 with NO/H2O, bond cleavage of aromatic ring and C7-O bond, and dehydrogenation. Among all the reaction pathways, the main products are obtained via C2-C7/C7-O bond cleavage, C3-C4/C4-C5 bond cleavage of aromatic ring, and the generation of ketene and aldehyde. The kinetic model is constructed based on the rate constants of element reactions over a temperature range of 200-600K, which are calculated with the transition state theory method and fitted with the Arrhenius formulas. According to the kinetic model, the atmospheric lifetime of AF, is 37 days, compared to OH radical. © 2015 Published by Elsevier Ltd. Citation statistics:
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/82065
Appears in Collections: 气候变化事实与影响
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作者单位: Environment Research Institute, Shandong University, Jinan, China; Department of Resources and Environment, Binzhou University, Binzhou, China
Recommended Citation:
Kang L,, Sun X,, Zhang C,et al. The mechanism and kinetic model on the OH-initiated degradation of acetofenate in the atmosphere[J]. Atmospheric Environment,2015-01-01,103