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

Authors :
K. Hintzer
J. Troe
Arne Thaler
E. Tellbach
L. Sölter
Carlos J. Cobos
Publication Year :
2017
Publisher :
Royal Society of Chemistry, 2017.

Abstract

The thermal decomposition of octafluorooxalane, C4F8O, to C2F4 + CF2 + COF2 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 C2F4 and dimerization of CF2. 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 CF2CF2CF2 intermediate which dissociates in a second step. Fil: Cobos, Carlos Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina Fil: Hintzer, K.. Dyneon GmbH; Alemania Fil: Sölter, L.. Universität Göttingen; Alemania Fil: Tellbach, E.. Universität Göttingen; Alemania Fil: Thaler, A.. Dyneon GmbH; Alemania Fil: Troe, J.. Universität Göttingen; Alemania. Max-Planck-Institut für Biophysikalische Chemie; Alemania

Details

Language :
English
Database :
OpenAIRE
Accession number :
edsair.doi.dedup.....d1fad98030a7695b9af85d325aac7dff