The atmospheric degradation reaction of dehydroabietic acid (DHAA) initiated by OH radicals and O-3

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	The atmospheric degradation reaction of dehydroabietic acid (DHAA) initiated by OH radicals and O-3
	Bai J(白静)1; Sun XM(孙孝敏)1,2; Zhang CX(张晨曦)1; Zhao YY(赵宇阳)1; Gong C(功臣)1
刊名	Chemosphere
	2013
卷号	92 期号:8 页码:933-940
关键词	DHAA OH radicals and O-3 Reaction mechanism Rate constants
ISSN号	0045-6535
通讯作者	孙孝敏
英文摘要	Dehydroabietic acid (DHAA) is the major marker compound emitted from the burning of conifer. In this paper, the atmospheric mechanism of DHAA initiated by OH radicals and O₃ was studied at the MPWB1K/6-31+G(d,p)//MPWB1K/6-311+G(3df,2p) level. For OH radicals, two types of reactions including OH addition and hydrogen abstraction were investigated. The cycloaddition reactions of O₃ were considered. The rate constants over the temperature range of 200-400 K were calculated with the Rice-Ramsperger-Kassel-Marcus (RRKM) theory. At 298 K and under the pressure of 760 Ton, the whole rate constants are 0.89 x 10^-11cm³ molecule^-1 s^-1 and 2.29 x 10^-20cm³ molecule^-1 s^-1 for DHAA + OH and DHAA + O₃, respectively. This study can be regarded as an attempt to investigate the OH-initiated and O₃-initiated photochemical reaction mechanisms of DHAA in the atmosphere.
学科主题	材料科学与物理化学
收录类别	SCI
资助信息	National Natural Science Foundation of China (No. 21277082;21177076);the Promotive Research fund for excellent young and middle-aged scientists of Shandong Province (No. BS2012HZ009)
语种	英语
WOS记录号	WOS:000322428500009
内容类型	期刊论文
源URL	[http://210.77.64.217/handle/362003/18233]
专题	兰州化学物理研究所_固体润滑国家重点实验室
作者单位	1.Shandong Univ, Environm Res Inst, Jinan 250100, Peoples R China 2.Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China
推荐引用方式 GB/T 7714	Bai J,Sun XM,Zhang CX,et al. The atmospheric degradation reaction of dehydroabietic acid (DHAA) initiated by OH radicals and O-3[J]. Chemosphere,2013,92(8):933-940.
APA	Bai J,Sun XM,Zhang CX,Zhao YY,&Gong C.(2013).The atmospheric degradation reaction of dehydroabietic acid (DHAA) initiated by OH radicals and O-3.Chemosphere,92(8),933-940.
MLA	Bai J,et al."The atmospheric degradation reaction of dehydroabietic acid (DHAA) initiated by OH radicals and O-3".Chemosphere 92.8(2013):933-940.