Shock wave studies of the pyrolysis of fluorocarbon oxygenates. II. The thermal dissociation of C4F8O

The thermal decomposition of octafluorooxalane, C 4 F 8 O, to C 2 F 4 + CF 2 + COF 2 has been studied in shock waves highly diluted in Ar between 1300 and 2200 K. The primary dissociation was shown to be followed by secondary dissociation of C 2 F 4 and dimerization of CF 2 . The primary dissociatio...

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Published inPhysical chemistry chemical physics : PCCP Vol. 19; no. 4; pp. 3159 - 3164
Main Authors Cobos, C. J, Hintzer, K, Sölter, L, Tellbach, E, Thaler, A, Troe, J
Format Journal Article
LanguageEnglish
Published 2017
Subjects
Constraining
Mathematical models
Physical chemistry
Pyrolysis
Quantum chemistry
Rate constants
Shock waves
Thermal dissociation
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Summary:The thermal decomposition of octafluorooxalane, C 4 F 8 O, to C 2 F 4 + CF 2 + COF 2 has been studied in shock waves highly diluted in Ar between 1300 and 2200 K. The primary dissociation was shown to be followed by secondary dissociation of C 2 F 4 and dimerization of CF 2 . The primary dissociation was found to be in its falloff range and falloff curves were constructed. The limiting low and high pressure rate constants were estimated and compared with modelling results. Quantum-chemical calculations identified possible reaction pathways, either leading directly to the final products of the reaction or passing through an open-chain CF 2 CF 2 CF 2 intermediate which dissociates in a second step. The thermal decomposition of octafluorooxalane, C 4 F 8 O, to C 2 F 4 + CF 2 + COF 2 has been studied in shock waves in Ar between 1300 and 2200 K. Two pathways were identified.
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ISSN:1463-9076
1463-9084
DOI:10.1039/c6cp06822g