Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8
2015 | journal article. A publication with affiliation to the University of Göttingen.
Jump to: Cite & Linked | Documents & Media | Details | Version history
Cite this publication
Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8
Cobos, C. J.; Hintzer, K.; Soelter, L.; Tellbach, E.; Thaler, A. & Troe, J. (2015)
Physical Chemistry Chemical Physics, 17(48) pp. 32219-32224. DOI: https://doi.org/10.1039/c5cp05366h
Documents & Media
Details
- Authors
- Cobos, C. J.; Hintzer, K.; Soelter, Lars; Tellbach, Elsa; Thaler, A.; Troe, Juergen
- Abstract
- The thermal dissociation of octafluorocyclobutane, c-C4F8, was studied in shock waves over the range 1150-2300 K by recording UV absorption signals of CF2. It was found that the primary reaction nearly exclusively produces 2 C2F4 which afterwards decomposes to 4 CF2. A primary reaction leading to CF2 + C3F6 is not detected (an upper limit to the yield of the latter channel was found to be about 10 percent). The temperature range of earlier single pulse shock wave experiments was extended. The reaction was shown to be close to its high pressure limit. Combining high and low temperature results leads to a rate constant for the primary dissociation of k(1) = 10(15.97) exp(-310.5 kJ mol(-1)/RT) s(-1) in the range 630-1330 K, over which k(1) varies over nearly 14 orders of magnitude. Calculations of the energetics of the reaction pathway and the rate constants support the conclusions from the experiments. Also they shed light on the role of the 1,4-biradical CF2CF2CF2CF2 as an intermediate of the reaction.
- Issue Date
- 2015
- Status
- published
- Publisher
- Royal Soc Chemistry
- Journal
- Physical Chemistry Chemical Physics
- ISSN
- 1463-9084; 1463-9076