A kinetic model for pyrolysis of CF2HCl

✍ Scribed by Z. Zhang; R. Pollard

• Publisher: John Wiley and Sons
• Year: 1995
• Tongue: English
• Weight: 844 KB
• Volume: 27
• Category: Article
• ISSN: 0538-8066
• DOI: 10.1002/kin.550271203

✦ Synopsis

Abstract

Thermal decomposition of CF~2~HCl has been modeled using 2,269 thermally activated reactions and 63 chemically activated processes. Thermochemical properties for the species involved are calculated using statistical mechanics and group contribution theory, and reaction rate constants are determined using transition state theory. The theoretical predictions, obtained without fitting any parameter values, afree closely with available experimental data. Also, the reactions that control the distribution of reaction products are identified, and this, in turn, permits simplification of the reaction set. Sensitivity studies show that uncertainties in the calculations do not alter the predicted trends in behavior or the main reaction pathways. © 1995 John Wiley & Sons, Inc.