MODELING OF CF2HCL CONSUMPTION IN H2O2AR FLAMES

The aim of this work is the investigation of the relative contribution of reactions (1) CF2HCl + H --> CF2H + HCl, (2) CF2HCl + O --> CF2Cl + OH and (3) CF2HCl + OH --> CF2Cl + H2O to the initial CF2HCl attack in lean, stoichiometric and rich H2/O2/Ar flames. The mole fraction profiles have been computed by means of the PREMIX code. Using the rate coefficient k1 = 4.65 10(14) exp(-7730/T) cm3mole-1s-1, k2 = 6.62 10(12) exp(-4228/T) cm3mole-1s-1 and k3 = 1.28 10(12) exp(-1671/T) cm3mole-1s-1 the contribution of reactions (1), (2) and (3) has been calculated by integration throughout the flame front. The results show an obvious dependence on the equivalence ratio. In rich and stoichiometric flames CF2HCl is consumed nearly exclusively by H-radicals, while in the lean flame H contributes to 43%, O to 32% and OH to 25% of the CF2HCl disappearance rate. The computed results of the stoichiometric flame compare favourably with exsperiments.