화학공학소재연구정보센터
Combustion and Flame, Vol.120, No.1-2, 125-142, 2000
The kinetics of the combustion of trichloroethylene for low Cl/H ratios
A kinetic model has been developed for the combustion of trichloroethylene (TCE;) under low Cl/H ratio conditions. Flame species concentration profiles, measured for CH4/O-2/Ar flames, reveal that the most important reaction channels in the decomposition of TCE in the CH4/TCE/O-2/Ar flame are the displacement by H atoms of Cl atoms from TCE, 1,1-dichloroethylene (DCE), and vinyl chloride. The displacement of Cl atoms from TCE by OH also contributes to the decomposition of TCE, and leads to the production of 2,2-dichloroethenol, a species unobserved in previous flame studies. Other species found in large concentrations in the present CH4/TCE/O-2/Ar flames, but not observed in previous TCE/O-2/Ar flame studies at higher chlorine-to-hydrogen ratios, are ketene, chloroketene, and dichloroketene. Finally, the presence of TCE catalyzes the formation of C-3-C-6 hydrocarbons. The presence of significant concentrations of C3H3, C3H4, and C6H6 is consistent with "odd carbon species" mechanisms previously suggested for benzene formation in hydrocarbon flames.