Show simple item record Cobos, Carlos Jorge Sölter, L. Tellbach, E. Troe, J. 2016-04-15T14:50:19Z 2014-01
dc.identifier.citation Cobos, Carlos Jorge; Sölter, L.; Tellbach, E.; Troe, J.; Shock wave and modeling study of the thermal decomposition reactions of Pentafluoroethane and 2-H Heptafluoropropane; Royal Society Of Chemistry; Physical Chemistry Chemical Physics; 16; 21; 1-2014; 9797-9807
dc.identifier.issn 1463-9076
dc.description.abstract The thermal decomposition reactions of CF3CF2H and CF3CFHCF3 have been studied in shock waves by monitoring the appearance of CF2 radicals. Temperatures in the range 1400-2000 K and Ar bath gas concentrations in the range (2-10) × 10(-5) mol cm(-3) were employed. It is shown that the reactions are initiated by C-C bond fission and not by HF elimination. Differing conclusions in the literature about the primary decomposition products, such as deduced from experiments at very low pressures, are attributed to unimolecular falloff effects. By increasing the initial reactant concentrations in Ar from 60 to 1000 ppm, a retardation of CF2 formation was observed while the final CF2 yields remained close to two CF2 per C2F5H or three CF2 per C3F7H decomposed. This is explained by secondary bimolecular reactions which lead to comparably stable transient species like CF3H, releasing CF2 at a slower rate. Quantum-chemical calculations and kinetic modeling help to identify the reaction pathways and provide estimates of rate constants for a series of primary and secondary reactions in the decomposition mechanism.
dc.format application/pdf
dc.language.iso eng
dc.publisher Royal Society Of Chemistry
dc.rights info:eu-repo/semantics/restrictedAccess
dc.subject Pentafluoroethane
dc.subject 2-H-heptafluoropropane
dc.subject.classification Físico-Química, Ciencia de los Polímeros, Electroquímica
dc.subject.classification Ciencias Químicas
dc.subject.classification CIENCIAS NATURALES Y EXACTAS
dc.title Shock wave and modeling study of the thermal decomposition reactions of Pentafluoroethane and 2-H Heptafluoropropane
dc.type info:eu-repo/semantics/article
dc.type info:ar-repo/semantics/artículo
dc.type info:eu-repo/semantics/publishedVersion 2016-05-06 15:52:43.262787-03
dc.journal.volume 16
dc.journal.number 21
dc.journal.pagination 9797-9807
dc.journal.pais Reino Unido
dc.journal.ciudad Londres
dc.description.fil Fil: Cobos, Carlos Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; Argentina
dc.description.fil Fil: Sölter, L.. Universitat of Gottingen; Alemania
dc.description.fil Fil: Tellbach, E.. Universitat of Gottingen; Alemania
dc.description.fil Fil: Troe, J.. Max-Planck-Institut für Biophysikalische Chemie; Alemania
dc.journal.title Physical Chemistry Chemical Physics
dc.relation.alternativeid info:eu-repo/semantics/altIdentifier/pmid/24352693
dc.relation.alternativeid info:eu-repo/semantics/altIdentifier/url/!divAbstract
dc.relation.alternativeid info:eu-repo/semantics/altIdentifier/doi/10.1039/c3cp54274b
dc.relation.alternativeid info:eu-repo/semantics/altIdentifier/doi/

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