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Inhibiting effect of CF{sub 3}I on the reaction between CH{sub 4} and O{sub 2} in a jet-stirred reactor

Journal Article · · Combustion and Flame
; ; ;  [1]
  1. INPL-ENSIC (France). Dept. de Chimie-Physique des Reactions
This is an experimental and theoretical study of the inhibiting effect of the addition of 1--5% (relative to the amount of methane) of CF{sub 3}I on methane oxidation under the following conditions: equimolecular CH{sub 4}-O{sub 2} mixtures, temperature from 970 to 1,150 K, total pressure 1 bar, space times ranging from 1 to 8 s corresponding to methane conversions of 1--80%. The main observed effects of the addition of this halogenated compound were a large decrease of the conversions of methane and oxygen, a reduction of the selectivity in ethane formation, and an important increase of the selectivity in ethylene formation. In the experimental range studied, the inhibiting effect slightly increased when the amount of additive decreased. Methane oxidation and the influence of halogenated compounds on this reaction were modelled using a detailed kinetic reaction mechanism, including the recent values for the rate constants of reactions of iodinated compounds. The proposed mechanism was able to reproduce the experimental data. Sensitivity analyses led to a determination of the dominant steps that account for the inhibiting effect of CF{sub 3}I. The inhibiting influence of CF{sub 3}I on methane oxidation seems to be mainly due to the two following steps: I + CH{sub 4} {yields} HI + CH{sub 3} and I + HO{sub 2} {yields} O{sub 2} + HI. These two steps form a cycle which acts as a termination reaction between HO{sub 2} and CH{sub 3} radicals to give CH{sub 4} and O{sub 2}.
OSTI ID:
543407
Journal Information:
Combustion and Flame, Journal Name: Combustion and Flame Journal Issue: 3 Vol. 109; ISSN 0010-2180; ISSN CBFMAO
Country of Publication:
United States
Language:
English

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