Shock wave and modelling study of the dissociation kinetics of C₂F₅I
The thermal dissociation of C₂F₅I was studied in shock waves monitoring UV absorption signals from the reactant C₂F₅I and later formed reaction products such as CF, CF₂, and C₂F₄. Temperatures of 950–1500 K, bath gas concentrations of [Ar] = 3 × 10⁻⁵ –2 × 10⁻⁴ mol cm⁻³, and reactant concentrations o...
Guardado en:
Autores principales: | , , , |
---|---|
Formato: | Articulo |
Lenguaje: | Inglés |
Publicado: |
2021
|
Materias: | |
Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/139723 |
Aporte de: |
id |
I19-R120-10915-139723 |
---|---|
record_format |
dspace |
institution |
Universidad Nacional de La Plata |
institution_str |
I-19 |
repository_str |
R-120 |
collection |
SEDICI (UNLP) |
language |
Inglés |
topic |
Física Química thermal dissociation dimerization |
spellingShingle |
Física Química thermal dissociation dimerization Cobos, Carlos Jorge Sölter, L. Tellbach, E. Troe, J. Shock wave and modelling study of the dissociation kinetics of C₂F₅I |
topic_facet |
Física Química thermal dissociation dimerization |
description |
The thermal dissociation of C₂F₅I was studied in shock waves monitoring UV absorption signals from the reactant C₂F₅I and later formed reaction products such as CF, CF₂, and C₂F₄. Temperatures of 950–1500 K, bath gas concentrations of [Ar] = 3 × 10⁻⁵ –2 × 10⁻⁴ mol cm⁻³, and reactant concentrations of 100–500 ppm C₂F₅I in Ar were employed. Absorption-time profiles were recorded at selected wavelengths in the range 200–280 nm. It was found that the dissociation of C₂F₅I → C₂F₅ + I was followed by the dissociation C₂F₅ → CF₂ + CF₃, before the dimerization reactions 2CF₂ → C₂F₄ and 2CF₃ → C₂F₆ and a reaction CF₂ + CF₃ → CF + CF₄ set in. The combination of iodine atoms with C₂F₅ and CF₃ had also to be considered. The rate constant of the primary dissociation of C₂F₅I was analyzed in the framework of statistical unimolecular rate theory accompanied by a quantum-chemical characterization of molecular parameters. Rates of secondary reactions were modelled as well. Experimental rate constants for the dissociations of C₂F₅I and C₂F₅ agreed well with the modelling results. The comparably slow dimerization 2CF₂ → C₂F₄ could be followed both by monitoring reactant CF₂ and product C₂F₄ absorption signals, while CF₃ dimerization was too fast to be detected. A competition between the dimerization reactions of CF₂ and CF₃, the recombination of CF₂ and CF₃ forming C₂F₅, and CF-forming processes like CF₂ + CF₃ → CF + CF₄ finally was discussed. |
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 modelling study of the dissociation kinetics of C₂F₅I |
title_short |
Shock wave and modelling study of the dissociation kinetics of C₂F₅I |
title_full |
Shock wave and modelling study of the dissociation kinetics of C₂F₅I |
title_fullStr |
Shock wave and modelling study of the dissociation kinetics of C₂F₅I |
title_full_unstemmed |
Shock wave and modelling study of the dissociation kinetics of C₂F₅I |
title_sort |
shock wave and modelling study of the dissociation kinetics of c₂f₅i |
publishDate |
2021 |
url |
http://sedici.unlp.edu.ar/handle/10915/139723 |
work_keys_str_mv |
AT coboscarlosjorge shockwaveandmodellingstudyofthedissociationkineticsofc2f5i AT solterl shockwaveandmodellingstudyofthedissociationkineticsofc2f5i AT tellbache shockwaveandmodellingstudyofthedissociationkineticsofc2f5i AT troej shockwaveandmodellingstudyofthedissociationkineticsofc2f5i |
bdutipo_str |
Repositorios |
_version_ |
1764820458382819330 |