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
موضوعات مرتبط
علوم زیستی و بیوفناوری علوم محیط زیست شیمی زیست محیطی
پیش نمایش صفحه اول مقاله
The atmospheric degradation reaction of dehydroabietic acid (DHAA) initiated by OH radicals and O3
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 × 10−11 cm3 molecule−1 s−1 and 2.29 × 10−20 cm3 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.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemosphere - Volume 92, Issue 8, August 2013, Pages 933-940
نویسندگان
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