DocumentCode
1148163
Title
Oxidation of Chloroform in a Gliding-Arc Plasma: Observation of Molecular Vibrations
Author
Indarto, Antonius ; Choi, Jae W. ; Lee, Hwaung
Author_Institution
Inst. of Sci. & Technol., Seoul, South Korea
Volume
37
Issue
8
fYear
2009
Firstpage
1526
Lastpage
1531
Abstract
This paper presents a direct comparison of the vibrational spectra between quantum mechanistic calculation and ultrashort laser pulses (USLP) spectrometer for chloroform oxidation. The chloroform decomposition was conducted in the presence of oxygen by using a gliding-arc plasma. In agreement with the prediction from both ab initio density functional theory calculation and USLP spectra analysis, it shows that the early step of the chloroform decomposition by oxygen follows a mechanism of CHCl3 + O2 rarr CCl3OOH rarr COCl2 + OH + Cl.
Keywords
ab initio calculations; arcs (electric); density functional theory; organic compounds; oxidation; plasma chemistry; vibrational states; ab initio calculation; chloroform; decomposition; density functional theory; gliding-arc plasma; molecular vibrations; oxidation; quantum mechanistic calculation; ultrashort laser pulses spectrometer; vibrational spectra; Ab initio calculation; chloroform oxidation; gliding-arc plasma; molecular vibration;
fLanguage
English
Journal_Title
Plasma Science, IEEE Transactions on
Publisher
ieee
ISSN
0093-3813
Type
jour
DOI
10.1109/TPS.2009.2025043
Filename
5173575
Link To Document