Shock wave and modeling study of the thermal decomposition reactions of pentafluoroethane and 2-H-heptafluoropropane

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 initi...

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Autores principales: Cobos, Carlos Jorge, Sölter, L., Tellbach, E., Troe, J.
Formato: Articulo
Lenguaje:Inglés
Publicado: 2013
Materias:
Química
Fission
Decomposition
Kinetic energy
Radical
Physical chemistry
Thermal decomposition
Chemistry
Pentafluoroethane
Shock wave
Reaction rate constant
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/127278
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-127278
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Química
Fission
Decomposition
Kinetic energy
Radical
Physical chemistry
Thermal decomposition
Chemistry
Pentafluoroethane
Shock wave
Reaction rate constant
spellingShingle Química
Fission
Decomposition
Kinetic energy
Radical
Physical chemistry
Thermal decomposition
Chemistry
Pentafluoroethane
Shock wave
Reaction rate constant
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
topic_facet Química
Fission
Decomposition
Kinetic energy
Radical
Physical chemistry
Thermal decomposition
Chemistry
Pentafluoroethane
Shock wave
Reaction rate constant
description 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.
format Articulo
Articulo
author Cobos, Carlos Jorge
Sölter, L.
Tellbach, E.
Troe, J.
author_facet Cobos, Carlos Jorge
Sölter, L.
Tellbach, E.
Troe, J.
author_sort Cobos, Carlos Jorge
title Shock wave and modeling study of the thermal decomposition reactions of pentafluoroethane and 2-H-heptafluoropropane
title_short Shock wave and modeling study of the thermal decomposition reactions of pentafluoroethane and 2-H-heptafluoropropane
title_full Shock wave and modeling study of the thermal decomposition reactions of pentafluoroethane and 2-H-heptafluoropropane
title_fullStr Shock wave and modeling study of the thermal decomposition reactions of pentafluoroethane and 2-H-heptafluoropropane
title_full_unstemmed Shock wave and modeling study of the thermal decomposition reactions of pentafluoroethane and 2-H-heptafluoropropane
title_sort shock wave and modeling study of the thermal decomposition reactions of pentafluoroethane and 2-h-heptafluoropropane
publishDate 2013
url http://sedici.unlp.edu.ar/handle/10915/127278
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AT tellbache shockwaveandmodelingstudyofthethermaldecompositionreactionsofpentafluoroethaneand2hheptafluoropropane
AT troej shockwaveandmodelingstudyofthethermaldecompositionreactionsofpentafluoroethaneand2hheptafluoropropane
bdutipo_str Repositorios
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