Validation of a mechanism for use in modeling CH2Cl2 and/or CH3Cl combustion and pyrolysis

Document Type

Article

Publication Date

1-1-1992

Abstract

A detailed kinetic reaction mechanism based upon fundamental thermochemical and kinetic principles, Transition State Theory and evaluated literature rate constant data was developed to calculate the stable species concentration profiles in CH3Cl and CH2Cl2 combustion and pyrolysis environments. The model results show good agreement to a wide range of methyl chloride and di-chloromethane oxidation and pyrolysis experiments. Use of the model for incineration conditions shows that combustion inhibition by chlorocarbons occurs by loss of OH through the fast reaction OH+HCl→H2O+Cl; and that CO conversion through reaction with HO2 and ClO become more important. Phosgene and other PICs are formed in the cool down regions from stepwise addition of Cl atoms to CO and other unsaturates. We also predict that water vapor (steam) addition improves fuel lean combustion of chlorocarbons. © 1992 Combustion Institute.

Identifier

0027029642 (Scopus)

Publication Title

Symposium International on Combustion

External Full Text Location

https://doi.org/10.1016/S0082-0784(06)80091-3

ISSN

00820784

First Page

743

Last Page

748

Issue

1

Volume

24

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