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
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;
Journal_Title :
Plasma Science, IEEE Transactions on
DOI :
10.1109/TPS.2009.2025043
