화학공학소재연구정보센터
Combustion and Flame, Vol.137, No.3, 376-402, 2004
The oxidation of trichloroethene with methane: Experiment and kinetic modeling
The oxidation Of C2HCl3 with industrial grade CH4 has been studied in a laboratory-scale flow reactor under fuel-rich, stoichiometric, and fuel-lean conditions from 575 to 850 degreesC, with an average gas residence time of 0.3-1.5 s. The major products, C2Cl2, C2H4, CO, CO2, and HCl, were found at lower temperatures with high [O-2]. The minor intermediates included C2H3Cl, C2HCl, CH3Cl, COCl2, trans-CHClCHCl, cis-CHClCHCl, trans-ClHC=CClCH3, C6H6, C(3)s, C(4)s, Cl-2, and other C-6 compounds. Writing -d[C2HCl3]/dt = k[C2HCl3]; global values of k (s(-1)) were found to be 3.21 x 10(6) exp(-116 (kJ/mol)/RT), 1.61 x 10(6) exp(-112 (kJ/mol)/RT), and 1.27 x 10(6) exp (-112 (kJ/mol)/RT), respectively, for fuel-lean, stoichiometric, and fuel-rich conditions. Modeling with a detailed mechanism involving 149 species and 795 elementary reactions revealed that C2HCl3 mainly disappears via C2HCl3 --> C2Cl2 + HCl. Sensitivity analyses were performed to rank the significance of every reaction in the mechanism. Agreement between modeling and experiment was satisfactory for most major species. (C) 2004 The Combustion Institute. Published by Elsevier Inc. All rights reserved.