کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
6310002 | 1307459 | 2013 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The atmospheric degradation reaction of dehydroabietic acid (DHAA) initiated by OH radicals and O3
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موضوعات مرتبط
علوم زیستی و بیوفناوری
علوم محیط زیست
شیمی زیست محیطی
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چکیده انگلیسی
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 Torr, the whole rate constants are 0.89 Ã 10â11 cm3 moleculeâ1 sâ1 and 2.29 Ã 10â20 cm3 moleculeâ1 sâ1 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.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemosphere - Volume 92, Issue 8, August 2013, Pages 933-940
Journal: Chemosphere - Volume 92, Issue 8, August 2013, Pages 933-940
نویسندگان
Jing Bai, Xiaomin Sun, Chenxi Zhang, Yuyang Zhao, Chen Gong,